++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 00:02:03 on 15 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2ii1-1.9-parrot-noncs/2ii1-1.9-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2ii1-1.9-parrot-noncs/2ii1-1.9-parrot-noncs.ins Phases from ./2ii1-1.9-parrot-noncs/2ii1-1.9-parrot-noncs.phi Native data from ./2ii1-1.9-parrot-noncs/2ii1-1.9-parrot-noncs.hkl Listing output to ./2ii1-1.9-parrot-noncs/2ii1-1.9-parrot-noncs.lst Phases output to ./2ii1-1.9-parrot-noncs/2ii1-1.9-parrot-noncs.phs Poly-Ala trace output to ./2ii1-1.9-parrot-noncs/2ii1-1.9-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 1 Allowed origin shift code: 1 70806 Reflections read from file ./2ii1-1.9-parrot-noncs/2ii1-1.9-parrot-noncs.phi 70806 Reflections read from file ./2ii1-1.9-parrot-noncs/2ii1-1.9-parrot-noncs.hkl 70806 Unique data, highest resolution = 1.950 Angstroms Anisotropic scaling: intensities multiplied by 0.000174h^2 +0.000041k^2 -0.000002l^2 -0.000138kl -0.000227hl +0.000106hk 5476 Reflections with d > 2.150 and 0 in range 2.150 > d > 1.950 added Density sharpening factor set to 0.83 Fourier grid = 128 x 128 x 145 0.000 <= z <= 1.000 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.669 = 0.300, Contrast = 0.273, Connect. = 0.676 for dens.mod. cycle 1 = 0.300, Contrast = 0.364, Connect. = 0.697 for dens.mod. cycle 2 = 0.300, Contrast = 0.451, Connect. = 0.725 for dens.mod. cycle 3 = 0.300, Contrast = 0.483, Connect. = 0.734 for dens.mod. cycle 4 = 0.300, Contrast = 0.503, Connect. = 0.740 for dens.mod. cycle 5 = 0.300, Contrast = 0.517, Connect. = 0.744 for dens.mod. cycle 6 = 0.300, Contrast = 0.527, Connect. = 0.747 for dens.mod. cycle 7 = 0.300, Contrast = 0.534, Connect. = 0.749 for dens.mod. cycle 8 = 0.300, Contrast = 0.540, Connect. = 0.751 for dens.mod. cycle 9 = 0.300, Contrast = 0.545, Connect. = 0.752 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6467 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1220 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 20.710 2.052 0.953 0.857 0.900 0.800 CB 1.339 B: 8 11.109 1.649 0.654 0.795 1.000 1.000 CA 1.189 C: 14 22.500 1.923 1.015 0.908 1.000 0.846 CB 1.144 11 residues pruned to eliminate duplicates D: 16 19.930 1.844 0.572 0.929 1.000 0.867 CB 1.242 14 residues pruned to eliminate duplicates E: 15 18.368 1.881 0.577 0.904 1.000 1.000 CB 1.179 15 residues pruned to eliminate duplicates F: 10 5.122 1.801 0.626 0.481 0.778 0.667 CB 0.764 G: 13 16.733 1.744 0.497 0.906 1.000 0.917 CB 1.317 H: 14 8.331 1.565 0.819 0.665 0.923 0.615 CB 0.755 I: 17 24.014 1.959 0.728 0.931 1.000 0.875 CB 1.240 J: 11 8.095 1.706 0.380 0.493 0.800 0.600 CB 1.368 K: 20 22.294 1.821 0.971 0.907 1.000 0.789 CB 1.013 14 residues pruned to eliminate duplicates L: 6 11.538 1.867 0.331 0.821 1.000 1.000 CA 1.573 8 residues pruned to eliminate duplicates M: 11 6.930 1.689 0.537 0.564 0.800 0.600 CB 0.992 N: 18 12.904 1.705 0.242 0.936 1.000 0.824 CB 1.029 17 residues pruned to eliminate duplicates O: 7 8.539 1.712 0.582 0.531 1.000 0.500 CA 1.248 7 residues pruned to eliminate duplicates P: 19 15.978 1.692 0.187 0.911 1.000 0.889 CB 1.328 15 residues pruned to eliminate duplicates Q: 12 19.644 2.004 0.486 0.905 1.000 0.909 CB 1.416 11 residues pruned to eliminate duplicates R: 15 9.962 1.893 0.429 0.434 0.857 0.429 CA 1.229 S: 17 16.653 1.738 0.230 0.920 1.000 0.938 CB 1.372 17 residues pruned to eliminate duplicates T: 20 24.404 1.958 0.837 0.634 0.947 0.789 CA 1.449 11 residues pruned to eliminate duplicates U: 7 9.706 1.847 0.466 0.719 1.000 0.833 CA 1.200 7 residues pruned to eliminate duplicates V: 12 20.773 1.997 0.786 0.872 1.000 0.909 CB 1.280 12 residues pruned to eliminate duplicates W: 6 7.613 1.740 0.209 0.832 1.000 0.600 CA 1.215 6 residues pruned to eliminate duplicates X: 7 10.073 1.637 0.865 0.873 1.000 0.833 CA 0.981 7 residues pruned to eliminate duplicates Y: 18 24.930 1.954 0.889 0.935 1.000 0.471 CB 1.142 19 residues pruned to eliminate duplicates Z: 11 3.800 1.649 0.371 0.459 0.700 0.500 CB 0.792 Z: 9 14.646 1.808 0.846 0.600 1.000 0.750 CB 1.411 Z: 13 13.857 1.934 0.411 0.842 0.833 0.667 CB 1.310 13 residues pruned to eliminate duplicates Z: 15 7.948 1.709 0.785 0.262 0.786 0.643 CB 1.163 Z: 9 12.271 1.798 0.714 0.669 0.750 0.625 CA 1.606 9 residues pruned to eliminate duplicates Z: 9 16.818 1.755 0.814 0.701 1.000 0.750 CB 1.555 9 residues pruned to eliminate duplicates Z: 7 3.012 1.499 0.598 0.412 0.667 0.500 CB 0.844 Z: 6 3.313 1.453 0.596 0.479 0.800 0.600 C 0.816 Z: 18 19.368 1.783 0.576 0.903 1.000 0.647 CB 1.191 18 residues pruned to eliminate duplicates Z: 14 9.485 1.714 0.155 0.865 1.000 0.692 CA 0.973 Z: 18 19.326 1.680 0.407 0.918 1.000 0.882 CB 1.399 18 residues pruned to eliminate duplicates Z: 16 6.046 1.524 0.467 0.198 0.933 0.200 CB 1.071 6 residues pruned to eliminate duplicates Z: 21 16.397 1.778 0.529 0.906 0.950 0.850 CB 1.010 21 residues pruned to eliminate duplicates Z: 10 12.096 1.620 0.604 0.851 1.000 0.778 CB 1.148 Z: 20 17.681 1.836 0.486 0.873 0.895 0.684 CB 1.210 20 residues pruned to eliminate duplicates Z: 7 9.730 1.629 0.935 0.829 0.833 0.833 C 1.138 Z: 14 7.851 1.824 0.553 0.359 0.769 0.462 CB 1.163 14 residues pruned to eliminate duplicates Z: 9 7.185 1.540 0.637 0.685 1.000 0.625 CB 0.850 11 residues pruned to eliminate duplicates Z: 6 5.928 1.716 0.792 0.596 0.800 0.600 CB 0.983 5 residues pruned to eliminate duplicates Z: 9 16.537 1.831 0.864 0.655 1.000 0.625 CB 1.483 9 residues pruned to eliminate duplicates Z: 8 10.431 1.505 1.224 0.631 1.000 0.429 CA 1.042 7 residues pruned to eliminate duplicates Z: 15 5.546 1.608 0.473 0.141 0.786 0.500 CB 1.242 Z: 11 7.837 1.601 0.318 0.696 1.000 0.900 CB 0.982 Z: 10 13.138 1.876 0.471 0.817 0.889 0.667 CB 1.355 10 residues pruned to eliminate duplicates Z: 10 9.915 1.542 0.771 0.763 1.000 0.778 CB 0.958 8 residues pruned to eliminate duplicates Z: 23 18.221 1.848 0.643 0.542 0.909 0.591 CA 1.351 23 residues pruned to eliminate duplicates Z: 8 12.628 1.699 1.101 0.647 1.000 0.857 C 1.166 8 residues pruned to eliminate duplicates Z: 19 17.090 1.655 0.560 0.893 1.000 0.722 CB 1.120 19 residues pruned to eliminate duplicates Z: 12 6.211 1.677 0.565 0.276 0.727 0.364 CB 1.264 12 residues pruned to eliminate duplicates Z: 8 6.866 1.710 0.425 0.428 0.857 0.429 CA 1.339 Z: 32 22.017 1.805 0.691 0.734 0.935 0.742 CB 1.123 38 residues pruned to eliminate duplicates Z: 8 2.481 1.534 0.324 0.113 0.571 0.286 CB 1.319 Z: 9 7.039 1.634 0.413 0.556 0.875 0.500 CA 1.166 9 residues pruned to eliminate duplicates Z: 8 7.884 1.557 0.784 0.534 0.857 0.571 CA 1.210 7 residues pruned to eliminate duplicates Z: 13 7.463 1.633 0.492 0.376 0.833 0.500 CA 1.212 Z: 18 19.591 1.751 0.352 0.902 1.000 0.824 CB 1.432 18 residues pruned to eliminate duplicates Z: 16 7.557 1.669 0.548 0.370 0.800 0.467 CB 1.085 6 residues pruned to eliminate duplicates Z: 15 14.634 1.844 0.414 0.608 1.000 0.786 CB 1.354 27 residues pruned to eliminate duplicates Z: 17 13.403 1.638 0.903 0.494 0.938 0.562 CB 1.154 26 residues pruned to eliminate duplicates Z: 9 9.312 1.722 0.708 0.527 0.875 0.625 CB 1.245 18 residues pruned to eliminate duplicates Z: 7 10.375 1.635 1.188 0.522 0.833 0.667 C 1.391 7 residues pruned to eliminate duplicates Z: 6 4.483 1.324 0.768 0.564 1.000 0.600 N 0.805 Z: 19 19.448 1.722 0.407 0.932 1.000 0.722 CB 1.322 19 residues pruned to eliminate duplicates Z: 25 20.318 1.806 0.328 0.737 1.000 0.917 CB 1.398 16 residues pruned to eliminate duplicates Z: 12 7.964 1.656 0.584 0.391 0.818 0.636 CB 1.256 Z: 9 12.536 1.633 0.863 0.771 0.875 0.625 CA 1.309 6 residues pruned to eliminate duplicates Z: 22 11.985 1.755 0.578 0.521 0.762 0.571 CB 1.214 22 residues pruned to eliminate duplicates Z: 6 4.752 1.716 0.835 0.496 0.800 0.600 CB 0.847 Z: 8 6.498 1.697 0.564 0.492 0.714 0.571 N 1.306 Z: 12 7.291 1.601 0.260 0.523 1.000 0.818 CA 1.065 8 1.973 1.529 -0.172 0.382 0.571 0.286 N 1.170 ? Z: 6 2.955 1.304 0.208 0.435 0.800 0.400 CA 1.121 6 residues pruned to eliminate duplicates Z: 9 11.955 1.751 0.842 0.792 1.000 0.875 CB 1.015 9 residues pruned to eliminate duplicates Z: 9 8.281 1.634 0.659 0.583 0.750 0.625 C 1.330 9 residues pruned to eliminate duplicates Z: 11 11.301 1.689 0.576 0.530 1.000 0.800 CA 1.303 11 residues pruned to eliminate duplicates Z: 13 7.380 1.584 0.789 0.331 0.750 0.583 CA 1.207 Z: 8 3.675 1.554 0.587 0.368 0.857 0.286 CB 0.757 Z: 6 6.535 1.633 0.426 0.630 1.000 1.000 CA 1.111 Z: 9 7.412 1.547 0.918 0.466 0.875 0.625 CB 1.044 7 residues pruned to eliminate duplicates Z: 10 13.674 1.681 0.984 0.566 1.000 0.444 CB 1.281 Z: 14 8.427 1.580 0.538 0.430 0.846 0.615 CB 1.222 12 residues pruned to eliminate duplicates Z: 14 5.761 1.649 0.475 0.164 0.923 0.385 CA 1.071 7 residues pruned to eliminate duplicates Z: 13 5.314 1.553 0.294 0.340 0.750 0.333 CA 1.212 Z: 16 7.621 1.561 0.187 0.449 0.933 0.467 CA 1.198 8 residues pruned to eliminate duplicates Z: 7 6.647 1.462 0.449 0.876 1.000 1.000 CB 0.931 7 residues pruned to eliminate duplicates Z: 8 6.383 1.678 0.119 0.648 1.000 0.857 CB 1.120 7 residues pruned to eliminate duplicates Z: 10 5.971 1.658 0.268 0.535 0.778 0.333 CB 1.176 Z: 10 5.538 1.474 0.634 0.355 0.778 0.444 CA 1.153 Z: 6 2.997 1.579 0.560 0.526 0.600 0.400 CB 0.884 6 residues pruned to eliminate duplicates Z: 10 13.925 1.606 0.643 0.753 1.000 0.889 CA 1.403 10 residues pruned to eliminate duplicates Z: 9 5.230 1.412 0.569 0.418 0.875 0.625 N 1.039 Z: 6 3.674 1.614 0.043 0.713 0.800 0.600 CA 1.006 Z: 8 6.221 1.374 0.501 0.767 0.857 0.714 CB 1.050 Z: 8 8.623 1.663 0.573 0.627 1.000 0.857 CA 1.105 8 residues pruned to eliminate duplicates Z: 11 4.962 1.674 0.096 0.312 0.800 0.400 CA 1.318 11 residues pruned to eliminate duplicates Z: 8 5.508 1.494 0.138 0.571 1.000 0.714 CB 1.143 Z: 7 2.394 1.498 0.123 0.501 1.000 0.500 CB 0.581 Z: 9 10.564 1.808 0.874 0.558 1.000 0.875 CB 1.041 Z: 6 4.957 1.692 0.323 0.632 0.800 0.600 CB 1.094 Z: 21 19.238 1.823 0.533 0.684 0.950 0.850 CA 1.368 21 residues pruned to eliminate duplicates Z: 25 13.235 1.732 0.462 0.453 0.833 0.500 CB 1.343 25 residues pruned to eliminate duplicates Z: 7 2.529 1.575 0.173 0.462 0.833 0.500 CB 0.696 Z: 8 3.582 1.580 0.365 0.490 0.714 0.714 CB 0.888 Z: 12 7.410 1.803 0.340 0.391 0.818 0.455 CA 1.268 12 residues pruned to eliminate duplicates Z: 6 3.948 1.516 0.802 0.421 0.800 0.400 CA 0.877 5 residues pruned to eliminate duplicates Z: 7 4.365 1.513 0.320 0.409 1.000 0.833 CB 0.981 Z: 7 5.370 1.758 0.814 0.349 0.833 0.333 CB 0.971 7 residues pruned to eliminate duplicates Z: 10 7.186 1.447 0.375 0.735 0.889 0.556 CB 1.097 10 residues pruned to eliminate duplicates Z: 8 4.842 1.662 0.064 0.484 0.857 0.571 CA 1.227 7 residues pruned to eliminate duplicates Z: 6 2.834 1.337 0.011 0.613 0.800 0.600 CA 1.053 Z: 8 19.161 1.791 1.073 0.870 1.000 0.857 CA 1.424 9 residues pruned to eliminate duplicates Z: 7 4.522 1.401 0.743 0.404 0.833 0.667 CA 1.004 Z: 11 7.713 1.801 0.523 0.464 1.000 0.600 CB 0.923 10 residues pruned to eliminate duplicates Z: 19 15.915 1.647 0.320 0.910 1.000 0.833 CB 1.223 17 residues pruned to eliminate duplicates Z: 16 8.359 1.626 0.333 0.370 0.867 0.600 CA 1.320 13 residues pruned to eliminate duplicates Z: 12 4.590 1.353 0.697 0.259 0.727 0.182 CA 1.091 Z: 10 10.247 1.736 0.684 0.511 0.889 0.667 CB 1.301 10 residues pruned to eliminate duplicates Z: 10 5.543 1.467 0.449 0.850 0.889 0.667 CB 0.724 10 residues pruned to eliminate duplicates Z: 11 11.005 1.684 0.443 0.545 1.000 0.600 C 1.370 9 residues pruned to eliminate duplicates Z: 7 3.500 1.479 0.678 0.445 0.667 0.500 CB 0.913 Z: 10 7.998 1.750 0.391 0.493 1.000 0.667 CB 1.103 10 residues pruned to eliminate duplicates Z: 7 2.768 1.339 0.206 0.409 0.833 0.667 CB 0.924 7 residues pruned to eliminate duplicates Z: 19 21.531 1.701 0.658 0.921 1.000 0.667 CA 1.266 19 residues pruned to eliminate duplicates Z: 15 4.233 1.278 0.347 0.400 0.857 0.357 CB 0.852 Z: 6 5.215 1.392 1.107 0.626 0.800 0.800 CB 0.882 6 residues pruned to eliminate duplicates Z: 6 2.293 1.359 0.193 0.661 1.000 0.800 CB 0.545 6 residues pruned to eliminate duplicates Z: 20 22.754 1.639 0.720 0.901 1.000 0.632 CB 1.322 20 residues pruned to eliminate duplicates Z: 17 19.897 1.788 0.621 0.936 0.938 0.375 CB 1.275 17 residues pruned to eliminate duplicates Z: 9 6.779 1.709 0.610 0.573 0.875 0.625 CB 0.928 9 residues pruned to eliminate duplicates Z: 7 3.473 1.507 0.399 0.324 0.667 0.500 O 1.224 Z: 11 3.664 1.568 0.151 0.821 1.000 0.800 CA 0.486 11 residues pruned to eliminate duplicates Z: 6 3.553 1.447 0.383 0.487 0.800 0.600 N 1.005 Z: 7 7.270 1.644 0.814 0.467 1.000 0.833 CA 1.029 Z: 16 11.660 1.755 0.708 0.503 0.867 0.467 CB 1.156 13 residues pruned to eliminate duplicates Z: 7 3.580 1.585 0.114 0.503 0.833 0.667 CB 0.991 7 1.933 1.255 0.392 0.336 0.667 0.333 CB 0.811 ? Z: 7 7.766 1.468 0.858 0.745 0.833 0.500 CB 1.121 Z: 12 6.887 1.518 0.586 0.451 0.909 0.545 CA 0.998 6 residues pruned to eliminate duplicates Z: 12 4.134 1.404 0.433 0.425 0.727 0.455 CB 0.921 6 residues pruned to eliminate duplicates Z: 19 17.414 1.774 0.754 0.809 1.000 0.833 CB 1.007 19 residues pruned to eliminate duplicates Z: 9 4.679 1.540 0.243 0.375 0.750 0.375 CA 1.317 Z: 8 4.265 1.470 0.372 0.381 0.857 0.429 CB 1.058 Z: 13 10.829 1.625 0.864 0.690 1.000 0.833 CB 0.867 14 residues pruned to eliminate duplicates Z: 27 22.452 1.723 0.556 0.686 1.000 0.731 CB 1.385 21 residues pruned to eliminate duplicates Z: 9 3.627 1.470 0.352 0.331 0.875 0.750 CB 0.888 Z: 18 21.258 1.827 0.465 0.910 1.000 0.765 CB 1.366 18 residues pruned to eliminate duplicates Z: 7 3.405 1.363 1.240 0.237 0.667 0.333 CB 0.926 Z: 19 14.940 1.631 0.668 0.859 0.833 0.444 CB 1.142 19 residues pruned to eliminate duplicates Z: 8 14.262 1.915 0.800 0.718 1.000 0.714 CA 1.284 9 residues pruned to eliminate duplicates Z: 20 9.752 1.680 0.535 0.290 0.895 0.421 CB 1.227 24 residues pruned to eliminate duplicates Z: 7 2.854 1.451 0.343 0.532 0.833 0.667 CB 0.696 Z: 8 7.181 1.428 0.747 0.601 0.857 0.571 CB 1.154 8 residues pruned to eliminate duplicates Z: 10 3.535 1.412 0.062 0.439 0.889 0.667 CB 0.941 Z: 8 4.149 1.654 0.132 0.612 0.857 0.571 CB 0.879 8 residues pruned to eliminate duplicates Z: 10 4.206 1.364 0.487 0.346 0.778 0.556 C 1.050 10 residues pruned to eliminate duplicates Z: 6 3.920 1.334 0.815 0.473 0.800 0.400 N 0.930 6 residues pruned to eliminate duplicates Z: 17 10.560 1.852 0.633 0.297 0.938 0.438 CA 1.169 13 residues pruned to eliminate duplicates 6 1.934 0.996 0.607 0.479 0.800 0.600 O 0.690 ? Z: 9 2.157 1.370 0.657 0.178 0.500 0.250 CB 0.991 9 residues pruned to eliminate duplicates Z: 7 6.016 1.793 0.534 0.350 0.833 0.667 CA 1.260 7 residues pruned to eliminate duplicates Z: 9 4.164 1.415 0.222 0.587 1.000 0.500 CB 0.784 Z: 8 3.539 1.411 0.456 0.287 0.857 0.286 CB 0.964 Z: 11 2.894 1.332 0.334 0.395 0.700 0.600 CB 0.822 Z: 7 5.305 1.466 0.178 0.757 1.000 1.000 N 0.998 Z: 14 4.894 1.603 0.411 0.402 0.769 0.615 CB 0.865 Z: 9 7.216 1.565 0.838 0.395 0.750 0.500 CB 1.322 9 residues pruned to eliminate duplicates Z: 6 7.218 1.563 1.079 0.669 1.000 0.800 CB 0.849 6 residues pruned to eliminate duplicates Z: 7 10.012 1.645 0.585 0.836 1.000 0.833 CB 1.174 7 residues pruned to eliminate duplicates Z: 10 4.044 1.835 0.117 0.378 0.889 0.556 CB 0.842 10 residues pruned to eliminate duplicates Z: 9 4.885 1.453 0.336 0.403 1.000 0.625 CA 0.985 Z: 6 5.369 1.413 0.680 0.572 1.000 0.600 CA 0.943 6 residues pruned to eliminate duplicates 6 1.322 1.430 0.311 0.103 0.800 0.200 CB 0.653 ? Z: 17 23.706 1.905 0.870 0.912 1.000 0.812 CB 1.178 17 residues pruned to eliminate duplicates Z: 7 7.890 1.606 0.850 0.762 0.833 0.500 CB 1.030 7 residues pruned to eliminate duplicates Z: 7 4.815 1.658 0.317 0.669 0.667 0.500 CA 1.155 Z: 8 5.731 1.668 0.415 0.391 0.857 0.571 CA 1.202 8 residues pruned to eliminate duplicates Z: 6 2.018 1.369 0.046 0.563 0.800 0.600 CB 0.741 7 1.891 1.092 0.354 0.277 0.833 0.500 N 0.806 ? 6 1.768 1.525 0.257 0.330 0.600 0.400 CB 0.829 ? 6 1.056 1.205 -0.164 0.473 0.800 0.600 CB 0.603 ? Z: 16 20.182 1.796 0.747 0.925 0.933 0.533 CB 1.249 16 residues pruned to eliminate duplicates Z: 7 3.238 1.639 0.099 0.536 0.667 0.667 CB 1.062 7 residues pruned to eliminate duplicates Z: 15 10.294 1.701 0.581 0.876 0.929 0.571 CA 0.800 14 residues pruned to eliminate duplicates Z: 26 28.505 1.948 0.845 0.719 0.960 0.600 CB 1.355 26 residues pruned to eliminate duplicates Z: 6 2.925 1.657 0.249 0.446 0.800 0.800 CB 0.835 6 residues pruned to eliminate duplicates Z: 7 3.983 1.431 0.076 0.431 1.000 0.500 O 1.134 7 residues pruned to eliminate duplicates Z: 11 18.921 1.926 0.830 0.884 1.000 0.600 CB 1.227 11 residues pruned to eliminate duplicates Z: 14 22.214 1.853 0.889 0.918 1.000 0.923 CB 1.241 14 residues pruned to eliminate duplicates Z: 15 6.137 1.608 0.187 0.471 0.786 0.571 CB 1.127 15 residues pruned to eliminate duplicates Z: 7 2.672 1.274 0.126 0.383 1.000 0.667 CB 0.861 3 residues pruned to eliminate duplicates Z: 20 13.657 1.786 0.464 0.473 0.947 0.632 CA 1.300 20 residues pruned to eliminate duplicates Z: 6 2.712 1.495 0.568 0.480 0.600 0.600 CB 0.880 Z: 10 4.237 1.412 0.929 0.345 0.778 0.333 CB 0.789 10 residues pruned to eliminate duplicates Z: 15 5.819 1.460 0.340 0.458 0.929 0.643 CB 0.894 8 residues pruned to eliminate duplicates Z: 8 9.465 1.715 0.889 0.843 1.000 0.571 CA 0.822 9 residues pruned to eliminate duplicates Z: 10 5.340 1.651 0.474 0.359 0.889 0.444 CA 0.958 10 residues pruned to eliminate duplicates Z: 18 8.396 1.592 0.799 0.363 0.882 0.529 CB 0.933 18 residues pruned to eliminate duplicates Z: 8 5.897 1.247 0.730 0.766 0.857 0.857 CA 0.951 9 1.554 1.239 0.293 0.326 0.625 0.500 N 0.665 ? Z: 12 4.811 1.702 0.317 0.248 0.818 0.364 CB 1.058 12 residues pruned to eliminate duplicates Z: 9 12.709 1.746 0.528 0.899 1.000 0.875 CB 1.204 9 residues pruned to eliminate duplicates Z: 7 3.268 1.548 0.264 0.256 0.833 0.333 CB 1.082 Z: 13 7.815 1.522 0.765 0.459 0.833 0.583 CA 1.051 13 residues pruned to eliminate duplicates Z: 22 17.240 1.909 0.574 0.681 0.952 0.762 CB 1.114 22 residues pruned to eliminate duplicates Z: 16 13.248 1.695 0.636 0.847 1.000 0.733 CA 0.916 14 residues pruned to eliminate duplicates Z: 7 2.869 1.451 0.443 0.545 0.833 0.500 CB 0.643 Z: 6 2.622 1.229 0.219 0.352 1.000 0.800 CA 0.919 6 1.249 1.096 0.367 0.525 0.800 0.600 CB 0.455 ? Z: 6 2.291 1.341 0.119 0.246 0.800 0.400 N 1.144 Z: 6 6.940 1.330 1.344 0.376 1.000 0.400 CA 1.137 Z: 12 24.913 2.026 1.006 0.883 1.000 0.727 CB 1.336 12 residues pruned to eliminate duplicates Z: 11 7.504 1.646 0.819 0.401 0.900 0.500 CB 0.978 8 residues pruned to eliminate duplicates Z: 10 9.894 1.567 0.715 0.690 0.889 0.556 CB 1.160 10 residues pruned to eliminate duplicates Z: 9 4.481 1.508 0.147 0.467 0.875 0.625 CA 1.082 Z: 29 27.242 1.870 0.674 0.735 0.929 0.821 CB 1.434 29 residues pruned to eliminate duplicates Z: 9 2.223 1.420 0.443 0.344 0.625 0.375 CB 0.727 9 residues pruned to eliminate duplicates Z: 9 3.950 1.512 0.299 0.447 0.625 0.500 CB 1.202 9 residues pruned to eliminate duplicates Z: 10 6.393 1.451 0.924 0.555 0.778 0.667 CB 0.930 Z: 18 12.181 1.726 0.594 0.399 0.824 0.529 CA 1.451 18 residues pruned to eliminate duplicates Z: 6 3.810 1.749 -0.014 0.452 1.000 0.800 CB 1.038 Z: 19 18.792 1.955 0.629 0.458 0.944 0.611 CB 1.536 19 residues pruned to eliminate duplicates Z: 7 4.980 1.649 0.374 0.772 0.833 0.833 CA 0.847 7 residues pruned to eliminate duplicates Z: 6 2.587 1.343 0.484 0.455 1.000 0.600 CA 0.608 Z: 7 4.327 1.434 0.538 0.648 0.833 0.667 CA 0.837 Z: 7 2.216 1.341 0.668 0.387 0.833 0.667 CB 0.548 6 residues pruned to eliminate duplicates Z: 10 2.601 1.509 0.424 0.173 0.556 0.222 CB 1.079 Z: 6 2.610 1.436 0.177 0.299 1.000 0.400 CB 0.864 Z: 8 3.697 1.477 0.713 0.448 0.857 0.429 CB 0.679 8 residues pruned to eliminate duplicates Z: 9 4.091 1.358 0.560 0.410 0.750 0.625 C 1.001 Z: 8 4.351 1.406 1.007 0.399 0.857 0.857 CB 0.757 Z: 15 5.475 1.350 0.377 0.356 0.786 0.429 CA 1.170 7 residues pruned to eliminate duplicates Z: 18 12.534 1.747 0.358 0.487 0.941 0.706 CB 1.379 18 residues pruned to eliminate duplicates Z: 26 7.790 1.588 0.239 0.354 0.800 0.480 CB 1.159 10 residues pruned to eliminate duplicates Z: 18 12.692 1.738 0.846 0.541 0.882 0.529 CB 1.045 26 residues pruned to eliminate duplicates Z: 8 2.286 1.262 0.166 0.333 0.714 0.286 CB 0.987 Z: 10 7.144 1.540 0.642 0.475 0.889 0.778 C 1.086 6 residues pruned to eliminate duplicates Z: 9 3.862 1.409 0.855 0.252 0.625 0.375 N 1.112 Z: 12 4.790 1.671 -0.110 0.397 0.909 0.545 CB 1.192 12 residues pruned to eliminate duplicates Z: 9 5.509 1.501 0.261 0.668 1.000 0.875 CB 0.881 Z: 8 2.960 1.251 0.296 0.342 0.857 0.571 CB 0.955 8 residues pruned to eliminate duplicates Z: 20 14.002 1.849 0.877 0.360 0.895 0.526 CA 1.203 21 residues pruned to eliminate duplicates Z: 8 4.553 1.495 0.431 0.553 0.857 0.714 CB 0.891 7 residues pruned to eliminate duplicates Z: 6 8.845 1.905 0.414 0.604 1.000 0.800 CA 1.330 6 residues pruned to eliminate duplicates Z: 11 2.297 1.471 0.045 0.144 0.700 0.400 N 1.049 Z: 8 3.131 1.401 0.338 0.452 0.714 0.429 N 0.928 6 residues pruned to eliminate duplicates Z: 26 22.394 1.731 0.895 0.767 1.000 0.760 CB 1.077 26 residues pruned to eliminate duplicates Z: 12 11.243 1.587 0.765 0.527 0.909 0.727 CA 1.297 12 residues pruned to eliminate duplicates Z: 7 4.992 1.360 0.438 0.746 1.000 0.667 CB 0.836 Z: 14 11.890 1.861 0.585 0.594 0.923 0.615 CB 1.107 17 residues pruned to eliminate duplicates Z: 6 3.983 1.337 0.085 0.770 1.000 0.800 CB 0.966 Z: 6 9.852 1.575 1.280 0.683 1.000 0.800 CA 1.037 14 residues pruned to eliminate duplicates 6 1.690 1.428 -0.031 0.300 0.800 0.400 CA 0.854 ? Z: 7 2.286 1.440 0.283 0.269 0.667 0.333 CB 0.985 7 residues pruned to eliminate duplicates Z: 10 11.833 1.614 0.652 0.750 1.000 0.667 CB 1.183 11 residues pruned to eliminate duplicates Z: 7 3.475 1.441 -0.095 0.470 1.000 0.833 CA 1.122 3 residues pruned to eliminate duplicates 6 1.477 1.457 0.223 0.385 0.800 0.400 N 0.524 ? Z: 9 7.868 1.637 0.395 0.889 0.750 0.500 CB 1.170 9 residues pruned to eliminate duplicates Z: 11 4.979 1.637 0.381 0.410 0.800 0.600 CB 0.957 11 residues pruned to eliminate duplicates Z: 6 2.644 1.438 0.329 0.524 0.800 0.400 N 0.756 Z: 6 2.023 1.387 -0.083 0.452 0.800 0.400 CB 0.934 Z: 6 3.224 1.574 0.582 0.517 0.800 0.600 CB 0.712 Z: 8 4.079 1.350 0.675 0.470 0.714 0.429 CB 0.984 Z: 6 2.949 1.440 0.263 0.409 1.000 0.400 C 0.798 Z: 7 2.834 1.362 0.204 0.364 0.833 0.500 O 0.980 Z: 7 7.383 1.527 0.823 0.712 0.833 0.667 CA 1.071 7 residues pruned to eliminate duplicates Z: 6 2.980 1.579 0.235 0.298 1.000 0.600 CB 0.855 8 1.745 1.148 -0.109 0.394 1.000 0.571 CB 0.721 ? Z: 6 6.802 1.598 0.938 0.545 0.800 0.400 N 1.175 Z: 12 8.058 1.477 0.642 0.418 1.000 0.545 CA 1.091 12 residues pruned to eliminate duplicates Z: 6 3.530 1.423 0.509 0.475 0.800 0.600 CB 0.942 Z: 7 7.823 1.677 0.281 0.727 1.000 0.500 CA 1.212 7 residues pruned to eliminate duplicates Z: 8 2.852 1.458 0.876 0.352 0.714 0.429 CB 0.648 6 1.554 1.189 0.580 0.439 0.600 0.400 CB 0.657 ? Z: 11 10.073 1.645 0.527 0.633 0.900 0.600 CA 1.243 11 residues pruned to eliminate duplicates Z: 6 3.871 1.234 0.301 0.768 0.800 0.600 O 1.063 8 1.918 1.339 0.157 0.524 0.857 0.857 CB 0.533 ? Z: 16 13.719 1.749 0.805 0.488 0.867 0.667 CB 1.311 16 residues pruned to eliminate duplicates Z: 6 2.552 1.347 0.147 0.439 0.800 0.600 CA 0.983 Z: 7 3.326 1.316 0.527 0.518 0.667 0.667 N 0.996 7 residues pruned to eliminate duplicates Z: 6 3.081 1.483 0.353 0.294 0.800 0.400 N 1.081 Z: 7 5.013 1.497 0.750 0.644 0.833 0.833 CB 0.820 Z: 6 4.117 1.457 0.185 0.644 1.000 0.600 CB 0.932 Z: 7 2.324 1.453 0.278 0.373 0.667 0.500 N 0.878 Z: 11 3.540 1.487 0.363 0.330 0.700 0.400 N 0.951 Z: 7 4.467 1.271 0.646 0.500 1.000 0.667 CB 0.872 Z: 9 3.355 1.155 0.407 0.362 0.875 0.625 O 0.968 9 residues pruned to eliminate duplicates Z: 17 20.093 1.806 0.443 0.922 1.000 0.625 CB 1.356 17 residues pruned to eliminate duplicates Z: 6 2.581 1.285 0.191 0.573 0.800 0.400 CA 0.878 Z: 6 3.417 1.326 0.150 0.681 1.000 1.000 CB 0.848 6 residues pruned to eliminate duplicates Z: 6 2.165 1.114 0.204 0.458 1.000 0.400 C 0.754 Z: 10 3.918 1.499 0.302 0.409 0.778 0.444 CB 0.946 7 residues pruned to eliminate duplicates Z: 8 8.568 1.827 0.591 0.435 1.000 0.857 CB 1.193 8 residues pruned to eliminate duplicates Z: 6 2.608 1.452 0.771 0.290 1.000 0.600 CB 0.574 Z: 6 2.434 1.219 0.361 0.286 1.000 0.400 N 0.835 Z: 9 4.130 1.487 0.313 0.424 0.875 0.750 N 0.925 Z: 19 11.784 1.720 0.516 0.464 0.944 0.611 CA 1.170 18 residues pruned to eliminate duplicates Z: 11 14.186 1.776 0.770 0.638 0.800 0.700 C 1.568 11 residues pruned to eliminate duplicates 6 0.997 1.364 1.074 0.149 0.600 0.400 O 0.405 ? 6 0.920 1.270 0.504 0.293 0.600 0.600 CA 0.452 ? 6 1.455 1.644 0.530 0.296 0.600 0.400 CB 0.542 ? Z: 6 4.800 1.372 0.442 0.531 1.000 0.800 CB 1.053 6 residues pruned to eliminate duplicates Z: 9 4.115 1.532 0.095 0.538 0.875 0.625 CB 0.954 9 residues pruned to eliminate duplicates Z: 12 5.514 1.548 0.514 0.441 0.818 0.455 CB 0.922 12 residues pruned to eliminate duplicates Z: 8 8.242 1.551 1.070 0.545 1.000 0.857 CA 0.929 8 residues pruned to eliminate duplicates Z: 8 3.894 1.596 0.759 0.319 0.571 0.571 C 1.120 Z: 8 2.787 1.569 0.312 0.220 0.714 0.286 CB 0.995 Z: 18 17.601 1.713 0.553 0.884 1.000 0.706 CB 1.160 18 residues pruned to eliminate duplicates Z: 8 8.493 1.585 0.561 0.694 1.000 0.571 CA 1.087 8 residues pruned to eliminate duplicates Z: 9 4.573 1.437 0.199 0.558 0.875 0.500 CA 1.013 6 1.575 1.164 0.467 0.219 0.600 0.400 CB 0.955 ? Z: 8 4.100 1.534 0.244 0.531 0.857 0.429 CB 0.918 Z: 7 3.904 1.369 0.256 0.538 1.000 0.667 CB 0.893 8 residues pruned to eliminate duplicates 6 1.848 1.562 0.081 0.349 0.600 0.400 N 0.960 ? Z: 7 12.122 1.676 0.908 0.688 1.000 0.833 CB 1.303 7 residues pruned to eliminate duplicates Z: 16 14.519 1.809 0.199 0.911 1.000 0.867 CB 1.225 16 residues pruned to eliminate duplicates 6 1.728 0.973 0.669 0.499 0.800 0.600 C 0.595 ? Z: 12 4.293 1.507 0.188 0.328 0.727 0.545 CA 1.201 12 residues pruned to eliminate duplicates Z: 14 13.420 1.738 0.486 0.909 1.000 0.923 CA 1.022 14 residues pruned to eliminate duplicates Z: 10 4.195 1.469 0.723 0.366 0.778 0.667 CB 0.821 Z: 6 5.940 1.611 0.911 0.486 0.800 0.400 CA 1.093 Z: 9 5.489 1.573 0.407 0.688 0.750 0.375 CB 0.985 9 residues pruned to eliminate duplicates Z: 7 3.195 1.330 0.554 0.282 0.833 0.667 CB 0.968 Z: 6 5.504 1.642 0.486 0.704 1.000 0.800 CA 0.838 Z: 8 2.684 1.357 0.524 0.343 0.857 0.286 CB 0.679 Z: 7 2.742 1.319 0.525 0.327 0.833 0.500 N 0.807 6 1.444 1.099 0.501 0.462 0.600 0.600 CA 0.678 ? Z: 7 3.998 1.489 0.119 0.336 1.000 0.333 CA 1.172 7 0.621 1.202 0.275 0.444 0.667 0.500 CB 0.263 ? Z: 11 16.308 1.777 0.634 0.853 0.900 0.400 CB 1.459 11 residues pruned to eliminate duplicates Z: 6 2.366 1.439 -0.119 0.598 0.600 0.400 CA 1.266 7 residues pruned to eliminate duplicates Z: 9 7.306 1.803 0.215 0.812 0.875 0.375 CA 1.027 9 residues pruned to eliminate duplicates Z: 8 6.986 1.607 0.175 0.500 1.000 0.571 CA 1.398 Z: 10 10.470 1.553 0.962 0.634 1.000 0.889 CB 1.010 12 residues pruned to eliminate duplicates 6 1.915 1.613 -0.133 0.401 0.800 0.600 CB 0.850 ? Z: 13 7.081 1.543 0.579 0.480 0.750 0.500 CB 1.142 13 residues pruned to eliminate duplicates Z: 8 2.571 1.363 -0.103 0.327 0.857 0.429 CB 1.123 Z: 9 3.406 1.543 0.535 0.433 0.625 0.500 CB 0.872 566 residues left after pruning, divided into chains as follows: A: 7 B: 9 C: 17 D: 10 E: 10 F: 10 G: 7 H: 28 I: 10 J: 13 K: 6 L: 7 M: 12 N: 35 O: 10 P: 9 Q: 7 R: 7 S: 11 T: 13 U: 16 V: 6 W: 7 X: 16 Y: 8 Z: 8 Z: 9 Z: 6 Z: 6 Z: 10 Z: 26 Z: 18 Z: 9 Z: 9 Z: 11 Z: 7 Z: 25 Z: 19 Z: 10 Z: 10 Z: 6 Z: 7 Z: 6 Z: 9 Z: 32 Z: 7 Z: 6 Z: 8 Z: 11 CC for partial structure against native data = 19.00 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.358, Connect. = 0.671 for dens.mod. cycle 1 = 0.300, Contrast = 0.429, Connect. = 0.699 for dens.mod. cycle 2 = 0.300, Contrast = 0.506, Connect. = 0.735 for dens.mod. cycle 3 = 0.300, Contrast = 0.523, Connect. = 0.742 for dens.mod. cycle 4 = 0.300, Contrast = 0.536, Connect. = 0.748 for dens.mod. cycle 5 = 0.300, Contrast = 0.544, Connect. = 0.752 for dens.mod. cycle 6 = 0.300, Contrast = 0.551, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.556, Connect. = 0.757 for dens.mod. cycle 8 = 0.300, Contrast = 0.559, Connect. = 0.759 for dens.mod. cycle 9 = 0.300, Contrast = 0.562, Connect. = 0.761 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6405 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1233 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 22.711 2.014 0.281 0.841 1.000 0.800 CB 1.468 B: 16 25.458 2.224 0.513 0.921 0.933 0.733 CB 1.473 16 residues pruned to eliminate duplicates C: 31 22.328 1.939 0.550 0.525 0.967 0.700 CB 1.369 D: 22 32.698 2.167 0.488 0.921 1.000 0.905 CB 1.557 E: 21 24.760 2.102 0.263 0.898 1.000 0.850 CB 1.491 20 residues pruned to eliminate duplicates F: 22 35.710 2.183 0.604 0.923 1.000 1.000 CB 1.564 22 residues pruned to eliminate duplicates G: 12 21.260 2.212 0.422 0.883 1.000 0.636 CB 1.473 12 residues pruned to eliminate duplicates H: 22 33.634 2.196 0.596 0.932 1.000 0.857 CB 1.462 22 residues pruned to eliminate duplicates I: 19 16.489 2.128 0.137 0.827 0.944 0.667 CB 1.282 J: 18 24.576 2.183 0.292 0.932 1.000 0.941 CB 1.476 18 residues pruned to eliminate duplicates K: 21 32.342 2.289 0.443 0.924 1.000 0.850 CB 1.537 21 residues pruned to eliminate duplicates L: 13 12.651 1.797 0.642 0.439 0.917 0.583 CB 1.438 M: 22 23.419 2.028 0.219 0.890 1.000 0.857 CB 1.486 22 residues pruned to eliminate duplicates N: 19 23.196 2.078 0.428 0.934 0.944 0.778 CB 1.360 20 residues pruned to eliminate duplicates O: 11 11.982 1.949 0.637 0.564 1.000 0.800 CB 1.117 P: 17 22.327 2.115 0.383 0.860 0.938 0.750 CB 1.496 17 residues pruned to eliminate duplicates Q: 19 24.630 2.170 0.396 0.902 1.000 0.833 CB 1.367 18 residues pruned to eliminate duplicates R: 22 36.414 2.262 0.651 0.886 1.000 0.667 CB 1.536 21 residues pruned to eliminate duplicates S: 17 10.114 1.853 0.632 0.448 0.875 0.688 CB 1.008 T: 21 28.629 2.143 0.590 0.907 0.950 0.550 CB 1.406 18 residues pruned to eliminate duplicates U: 22 29.839 2.171 0.395 0.911 1.000 0.952 CB 1.524 22 residues pruned to eliminate duplicates V: 22 28.787 2.154 0.573 0.921 1.000 0.952 CB 1.305 22 residues pruned to eliminate duplicates W: 21 42.459 2.306 0.777 0.941 1.000 0.700 CB 1.608 23 residues pruned to eliminate duplicates X: 25 23.717 2.133 0.799 0.467 0.917 0.583 CA 1.423 Y: 17 9.338 1.905 0.359 0.418 0.812 0.438 CB 1.208 Z: 21 29.370 2.115 0.642 0.871 0.900 0.600 CB 1.533 22 residues pruned to eliminate duplicates Z: 17 26.886 2.137 0.582 0.919 1.000 0.875 CB 1.402 17 residues pruned to eliminate duplicates Z: 22 18.582 1.969 0.279 0.808 0.905 0.571 CB 1.360 22 residues pruned to eliminate duplicates Z: 26 17.969 1.943 0.529 0.520 0.920 0.680 CB 1.289 26 residues pruned to eliminate duplicates Z: 19 29.144 2.142 0.487 0.925 1.000 0.778 CB 1.513 19 residues pruned to eliminate duplicates Z: 21 29.636 2.250 0.489 0.902 1.000 0.750 CB 1.410 21 residues pruned to eliminate duplicates Z: 18 32.636 2.236 0.755 0.902 1.000 0.765 CB 1.439 21 residues pruned to eliminate duplicates Z: 18 24.200 2.203 0.346 0.907 1.000 0.941 CB 1.408 18 residues pruned to eliminate duplicates Z: 11 7.674 1.853 0.361 0.851 1.000 0.600 CB 0.713 Z: 10 18.237 1.996 0.725 0.611 1.000 0.667 CB 1.588 10 residues pruned to eliminate duplicates Z: 18 27.327 2.196 0.675 0.920 1.000 0.941 CB 1.268 18 residues pruned to eliminate duplicates Z: 7 5.263 1.696 0.631 0.232 0.833 0.667 CB 1.274 Z: 33 31.278 2.135 0.576 0.636 0.938 0.656 CB 1.543 30 residues pruned to eliminate duplicates Z: 16 22.419 2.003 0.833 0.895 0.933 0.533 CA 1.211 Z: 20 12.816 1.989 0.925 0.317 0.737 0.526 CA 1.276 Z: 6 11.005 1.708 0.868 0.812 1.000 0.600 CB 1.175 Z: 18 32.605 2.185 0.750 0.908 0.941 0.647 CB 1.561 21 residues pruned to eliminate duplicates Z: 17 21.472 2.017 0.461 0.901 1.000 0.688 CA 1.300 16 residues pruned to eliminate duplicates Z: 18 27.219 2.211 0.681 0.874 0.941 0.765 CB 1.374 18 residues pruned to eliminate duplicates Z: 48 30.093 2.069 0.533 0.532 0.894 0.553 CB 1.501 37 residues pruned to eliminate duplicates Z: 13 7.137 1.948 0.371 0.406 0.833 0.667 CB 1.021 Z: 10 20.576 1.932 0.783 0.865 1.000 1.000 CA 1.458 Z: 19 25.646 2.150 0.475 0.927 1.000 0.778 CB 1.336 19 residues pruned to eliminate duplicates Z: 9 8.218 1.880 0.953 0.499 0.875 0.625 CB 0.905 9 residues pruned to eliminate duplicates Z: 12 7.474 1.735 0.295 0.379 0.909 0.636 CA 1.254 Z: 14 9.244 1.844 0.395 0.390 0.846 0.538 CB 1.323 Z: 10 16.813 1.851 0.980 0.662 0.889 0.778 CB 1.480 Z: 11 13.270 2.040 0.403 0.655 0.900 0.700 CB 1.411 Z: 17 23.832 2.030 0.695 0.905 0.938 0.625 CA 1.315 17 residues pruned to eliminate duplicates Z: 23 36.776 2.167 0.644 0.936 1.000 0.773 CA 1.532 23 residues pruned to eliminate duplicates Z: 10 19.309 2.005 1.006 0.707 1.000 0.778 CB 1.326 10 residues pruned to eliminate duplicates Z: 9 12.033 1.722 0.730 0.815 0.875 0.750 CA 1.241 8 residues pruned to eliminate duplicates Z: 38 32.284 2.034 0.462 0.702 0.973 0.838 CB 1.526 33 residues pruned to eliminate duplicates Z: 32 34.058 2.187 0.621 0.688 0.935 0.742 CA 1.552 21 residues pruned to eliminate duplicates Z: 6 3.833 1.838 0.312 0.501 0.600 0.600 CA 1.184 Z: 8 10.974 1.651 0.606 0.875 1.000 0.714 CB 1.137 Z: 17 25.577 2.049 0.889 0.921 0.875 0.625 CA 1.328 17 residues pruned to eliminate duplicates Z: 21 35.284 2.248 0.607 0.919 1.000 0.650 CB 1.540 21 residues pruned to eliminate duplicates Z: 22 32.929 2.009 0.589 0.916 1.000 0.714 CB 1.589 22 residues pruned to eliminate duplicates Z: 7 10.428 1.911 0.435 0.847 1.000 0.833 CB 1.153 7 residues pruned to eliminate duplicates Z: 8 9.248 1.816 0.239 0.551 1.000 0.571 CA 1.478 Z: 15 18.181 2.068 0.466 0.897 1.000 0.714 CA 1.147 15 residues pruned to eliminate duplicates Z: 20 16.028 1.953 0.856 0.376 0.842 0.579 CA 1.376 21 residues pruned to eliminate duplicates Z: 9 7.602 1.667 0.913 0.482 0.875 0.625 CB 0.981 Z: 16 9.310 1.451 0.809 0.434 0.933 0.733 CB 1.050 9 residues pruned to eliminate duplicates Z: 30 18.405 1.965 0.408 0.468 0.931 0.655 CB 1.370 27 residues pruned to eliminate duplicates Z: 7 6.538 1.794 0.241 0.530 1.000 0.667 CB 1.165 Z: 21 20.679 1.958 0.652 0.572 0.900 0.850 CB 1.481 25 residues pruned to eliminate duplicates Z: 10 7.069 1.858 0.194 0.395 0.889 0.556 CB 1.335 Z: 19 26.305 2.070 0.630 0.857 0.944 0.722 CB 1.433 19 residues pruned to eliminate duplicates Z: 20 27.190 2.057 0.601 0.901 0.947 0.737 CB 1.428 20 residues pruned to eliminate duplicates Z: 19 11.576 1.883 0.602 0.417 0.889 0.667 CB 1.109 Z: 10 9.010 1.973 0.557 0.488 0.889 0.778 CB 1.113 Z: 16 28.189 2.166 0.785 0.932 0.933 0.800 CA 1.409 17 residues pruned to eliminate duplicates Z: 30 17.642 1.807 0.665 0.465 0.862 0.655 CA 1.309 20 residues pruned to eliminate duplicates Z: 8 13.622 1.677 0.956 0.874 1.000 1.000 CA 1.142 8 residues pruned to eliminate duplicates Z: 10 9.645 1.984 0.429 0.513 0.778 0.778 CB 1.439 10 residues pruned to eliminate duplicates Z: 12 6.818 1.763 0.349 0.356 0.909 0.455 CB 1.110 Z: 8 10.160 1.842 0.893 0.678 0.857 0.714 CB 1.090 Z: 11 8.084 1.899 0.655 0.553 0.900 0.800 CB 0.858 11 residues pruned to eliminate duplicates Z: 21 35.967 2.271 0.809 0.940 0.950 0.900 CB 1.431 21 residues pruned to eliminate duplicates Z: 23 18.093 2.134 0.445 0.433 0.909 0.727 CB 1.475 23 residues pruned to eliminate duplicates Z: 13 7.333 1.742 0.376 0.375 0.833 0.583 CB 1.211 Z: 8 8.561 1.889 0.824 0.685 1.000 1.000 CB 0.792 8 residues pruned to eliminate duplicates Z: 10 4.800 1.848 0.312 0.421 0.778 0.667 CB 0.921 10 residues pruned to eliminate duplicates Z: 8 5.949 1.914 0.397 0.466 0.714 0.286 CB 1.219 5 residues pruned to eliminate duplicates Z: 10 11.792 1.965 0.516 0.616 0.889 0.667 CB 1.330 12 residues pruned to eliminate duplicates Z: 11 15.490 1.868 1.021 0.563 0.900 0.900 CA 1.356 9 residues pruned to eliminate duplicates Z: 16 26.147 2.144 0.725 0.887 0.933 0.667 CA 1.410 16 residues pruned to eliminate duplicates Z: 19 11.313 1.877 0.596 0.392 0.833 0.667 CB 1.198 14 residues pruned to eliminate duplicates Z: 20 32.060 2.095 0.645 0.924 1.000 0.789 CB 1.499 22 residues pruned to eliminate duplicates Z: 17 7.943 1.865 0.621 0.333 0.812 0.312 CB 0.970 17 residues pruned to eliminate duplicates Z: 10 8.779 1.947 0.149 0.772 0.778 0.667 CB 1.321 10 residues pruned to eliminate duplicates Z: 7 7.881 1.959 -0.014 0.858 1.000 0.833 CA 1.227 7 residues pruned to eliminate duplicates Z: 36 30.500 2.029 0.407 0.679 0.971 0.657 CB 1.577 36 residues pruned to eliminate duplicates Z: 8 8.233 1.740 0.608 0.463 1.000 0.857 CA 1.155 Z: 13 8.163 1.687 0.541 0.358 0.833 0.667 CB 1.267 13 residues pruned to eliminate duplicates Z: 8 5.274 1.883 0.194 0.433 0.714 0.571 CB 1.330 Z: 50 32.600 2.007 0.653 0.505 0.939 0.673 CA 1.487 56 residues pruned to eliminate duplicates Z: 9 6.517 1.580 0.579 0.652 0.875 0.625 CB 0.917 Z: 19 7.131 1.922 0.244 0.329 0.667 0.500 CA 1.272 Z: 10 9.778 1.899 1.057 0.389 0.778 0.222 CB 1.206 10 residues pruned to eliminate duplicates Z: 17 27.851 2.197 0.434 0.909 1.000 0.812 CB 1.569 17 residues pruned to eliminate duplicates Z: 15 6.855 1.675 0.360 0.435 0.857 0.571 CB 1.004 12 residues pruned to eliminate duplicates Z: 14 7.009 1.993 0.158 0.399 0.769 0.462 CB 1.218 7 residues pruned to eliminate duplicates Z: 6 5.286 1.901 0.072 0.730 1.000 0.600 CA 0.943 6 residues pruned to eliminate duplicates Z: 21 30.023 2.074 0.572 0.917 1.000 0.900 CB 1.453 21 residues pruned to eliminate duplicates Z: 10 6.445 1.796 0.232 0.431 0.889 0.667 CB 1.174 10 residues pruned to eliminate duplicates Z: 18 5.620 1.985 0.049 0.333 0.765 0.412 CB 1.027 18 residues pruned to eliminate duplicates Z: 12 11.194 1.911 0.641 0.413 1.000 0.455 CB 1.179 11 residues pruned to eliminate duplicates Z: 14 11.994 1.924 0.595 0.401 0.846 0.538 CA 1.421 14 residues pruned to eliminate duplicates Z: 10 9.474 1.886 0.277 0.486 0.889 0.556 CA 1.495 10 residues pruned to eliminate duplicates Z: 9 7.950 1.811 0.857 0.394 0.750 0.375 CB 1.247 Z: 27 26.707 2.113 0.805 0.476 0.923 0.615 CA 1.525 27 residues pruned to eliminate duplicates Z: 10 14.364 2.130 0.317 0.593 1.000 0.889 CB 1.563 10 residues pruned to eliminate duplicates Z: 8 8.137 1.754 0.281 0.837 0.857 0.714 CB 1.194 8 residues pruned to eliminate duplicates Z: 15 16.060 1.771 0.755 0.879 0.857 0.357 CA 1.168 14 residues pruned to eliminate duplicates Z: 7 4.031 1.901 0.292 0.408 0.667 0.667 CB 1.107 8 residues pruned to eliminate duplicates Z: 11 7.009 1.871 0.252 0.474 0.800 0.500 CB 1.215 10 residues pruned to eliminate duplicates Z: 17 32.842 2.240 0.714 0.906 0.938 0.312 CB 1.622 17 residues pruned to eliminate duplicates Z: 24 22.966 2.246 0.557 0.426 0.913 0.435 CA 1.619 24 residues pruned to eliminate duplicates Z: 8 4.926 1.725 0.144 0.596 0.857 0.714 N 1.005 Z: 21 19.387 2.019 0.601 0.576 0.850 0.600 CA 1.467 19 residues pruned to eliminate duplicates Z: 22 34.934 2.219 0.694 0.910 1.000 0.667 CB 1.439 22 residues pruned to eliminate duplicates Z: 32 29.784 2.082 0.353 0.741 1.000 0.903 CB 1.531 32 residues pruned to eliminate duplicates Z: 27 29.246 2.188 0.399 0.680 0.962 0.846 CB 1.652 27 residues pruned to eliminate duplicates Z: 9 14.166 1.959 1.143 0.466 1.000 0.500 CB 1.235 9 residues pruned to eliminate duplicates Z: 16 6.268 1.631 0.276 0.244 0.867 0.467 CB 1.205 Z: 16 11.648 1.832 0.646 0.431 0.867 0.400 CB 1.237 16 residues pruned to eliminate duplicates Z: 33 33.843 2.113 0.616 0.673 0.969 0.750 CB 1.542 35 residues pruned to eliminate duplicates Z: 11 5.816 1.552 0.419 0.378 0.800 0.700 CB 1.189 Z: 28 23.100 2.090 0.733 0.436 0.852 0.556 CB 1.540 28 residues pruned to eliminate duplicates Z: 34 24.459 2.077 0.344 0.611 0.879 0.667 CB 1.563 34 residues pruned to eliminate duplicates Z: 8 18.749 2.046 0.554 0.893 1.000 0.857 CA 1.601 8 residues pruned to eliminate duplicates Z: 12 14.521 2.169 0.535 0.476 0.909 0.636 CA 1.483 12 residues pruned to eliminate duplicates Z: 15 21.043 2.246 0.182 0.915 1.000 0.929 CA 1.497 15 residues pruned to eliminate duplicates Z: 13 10.120 1.743 0.841 0.464 0.833 0.750 CB 1.133 Z: 18 32.578 2.135 0.693 0.937 1.000 0.824 CB 1.521 18 residues pruned to eliminate duplicates Z: 17 9.870 1.830 0.322 0.384 0.938 0.438 CA 1.230 20 residues pruned to eliminate duplicates Z: 8 5.423 1.496 0.234 0.485 1.000 0.429 N 1.128 Z: 13 11.171 1.740 0.514 0.502 1.000 0.750 CB 1.221 10 residues pruned to eliminate duplicates Z: 22 24.597 2.116 0.295 0.866 0.952 0.714 CB 1.505 22 residues pruned to eliminate duplicates Z: 6 3.776 1.832 -0.104 0.589 0.800 0.800 CB 1.181 Z: 7 4.705 1.640 0.538 0.524 0.833 0.667 CB 0.893 7 residues pruned to eliminate duplicates Z: 12 6.878 1.720 0.283 0.291 0.909 0.545 CA 1.308 12 residues pruned to eliminate duplicates Z: 11 15.065 1.868 0.668 0.678 1.000 0.800 CB 1.298 13 residues pruned to eliminate duplicates 7 1.803 1.683 0.244 0.412 0.667 0.500 CB 0.578 ? Z: 18 29.558 2.227 0.884 0.869 0.824 0.529 CB 1.517 18 residues pruned to eliminate duplicates Z: 9 12.074 1.758 0.436 0.649 1.000 0.625 CB 1.472 8 residues pruned to eliminate duplicates Z: 21 32.677 2.236 0.734 0.942 0.900 0.600 CB 1.453 21 residues pruned to eliminate duplicates Z: 16 8.664 1.908 0.543 0.348 0.733 0.400 CB 1.222 16 residues pruned to eliminate duplicates Z: 9 8.019 1.836 0.362 0.535 0.875 0.875 CB 1.253 9 residues pruned to eliminate duplicates Z: 6 2.068 1.607 -0.070 0.361 0.600 0.600 CB 1.198 2 residues pruned to eliminate duplicates Z: 12 15.282 1.899 0.751 0.529 0.909 0.636 CA 1.482 11 residues pruned to eliminate duplicates Z: 12 10.394 1.718 0.279 0.624 0.909 0.727 CA 1.396 16 residues pruned to eliminate duplicates Z: 11 7.539 1.606 0.577 0.520 0.800 0.600 CB 1.154 Z: 9 10.292 1.700 0.387 0.834 1.000 0.625 CA 1.157 9 residues pruned to eliminate duplicates Z: 24 13.047 1.880 0.477 0.333 0.870 0.435 CA 1.352 24 residues pruned to eliminate duplicates Z: 10 13.037 2.016 0.556 0.684 0.889 0.778 CB 1.317 16 residues pruned to eliminate duplicates Z: 13 7.612 1.941 0.323 0.420 0.917 0.667 CB 1.014 11 residues pruned to eliminate duplicates Z: 20 41.870 2.323 0.808 0.945 1.000 0.895 CB 1.583 20 residues pruned to eliminate duplicates Z: 15 7.673 1.712 0.535 0.327 0.714 0.286 CB 1.321 15 residues pruned to eliminate duplicates Z: 7 5.575 1.885 -0.158 0.669 1.000 0.667 CA 1.227 7 residues pruned to eliminate duplicates Z: 16 25.001 2.171 0.629 0.935 0.933 0.733 CB 1.362 16 residues pruned to eliminate duplicates Z: 8 9.759 1.861 0.971 0.455 0.857 0.857 CA 1.228 8 residues pruned to eliminate duplicates Z: 13 5.237 1.753 -0.112 0.384 0.917 0.500 CB 1.199 Z: 7 8.308 2.001 1.124 0.431 0.833 0.667 CB 1.028 7 residues pruned to eliminate duplicates Z: 8 5.676 1.912 0.190 0.574 0.714 0.714 CB 1.229 12 residues pruned to eliminate duplicates Z: 11 8.130 1.801 0.143 0.465 0.900 0.500 CA 1.438 Z: 30 19.570 2.024 0.424 0.472 0.931 0.655 CB 1.393 28 residues pruned to eliminate duplicates Z: 7 3.089 1.757 0.502 0.252 0.667 0.333 CB 0.953 Z: 6 6.462 1.734 0.591 0.808 1.000 1.000 CB 0.801 6 residues pruned to eliminate duplicates Z: 16 8.255 1.951 0.222 0.375 0.733 0.467 CB 1.394 16 residues pruned to eliminate duplicates Z: 31 37.311 2.167 0.715 0.658 0.967 0.700 CB 1.637 33 residues pruned to eliminate duplicates Z: 17 19.606 1.937 0.596 0.583 1.000 0.812 CB 1.463 17 residues pruned to eliminate duplicates Z: 15 8.093 1.671 0.296 0.393 0.929 0.714 CB 1.204 9 residues pruned to eliminate duplicates Z: 23 30.007 2.138 0.595 0.894 1.000 0.545 CB 1.346 23 residues pruned to eliminate duplicates Z: 8 9.620 2.013 0.378 0.631 0.857 0.714 CB 1.351 8 residues pruned to eliminate duplicates Z: 10 12.470 1.739 0.859 0.679 0.889 0.556 CA 1.227 10 residues pruned to eliminate duplicates Z: 31 17.659 1.961 0.552 0.463 0.833 0.600 CB 1.321 31 residues pruned to eliminate duplicates Z: 29 21.163 1.967 0.503 0.511 0.964 0.679 CB 1.388 29 residues pruned to eliminate duplicates Z: 11 16.535 2.178 0.465 0.515 1.000 0.800 CA 1.615 11 residues pruned to eliminate duplicates Z: 19 30.348 2.136 0.732 0.895 0.944 0.333 CB 1.467 19 residues pruned to eliminate duplicates Z: 12 11.858 1.811 0.917 0.493 0.909 0.818 CB 1.141 13 residues pruned to eliminate duplicates Z: 13 15.190 1.909 0.720 0.468 1.000 0.667 CB 1.380 Z: 10 15.262 1.832 0.694 0.700 1.000 0.778 CB 1.367 Z: 16 19.672 2.113 0.512 0.897 0.867 0.467 CA 1.314 16 residues pruned to eliminate duplicates Z: 30 29.389 2.073 0.456 0.695 0.966 0.862 CB 1.567 30 residues pruned to eliminate duplicates Z: 9 7.983 1.741 0.670 0.523 0.750 0.625 CB 1.266 9 residues pruned to eliminate duplicates Z: 27 30.380 2.142 0.478 0.778 0.962 0.923 CB 1.532 27 residues pruned to eliminate duplicates Z: 19 5.792 1.788 0.339 0.283 0.722 0.333 CB 1.008 19 residues pruned to eliminate duplicates Z: 8 6.965 1.879 0.313 0.394 1.000 0.429 CA 1.193 8 residues pruned to eliminate duplicates Z: 25 25.633 2.193 0.722 0.470 0.917 0.542 CB 1.558 25 residues pruned to eliminate duplicates Z: 17 6.932 1.734 0.457 0.286 0.812 0.375 CB 1.074 14 residues pruned to eliminate duplicates Z: 9 15.644 2.009 0.446 0.844 1.000 0.750 CA 1.416 9 residues pruned to eliminate duplicates Z: 14 8.868 1.686 0.328 0.455 0.923 0.538 CB 1.246 10 residues pruned to eliminate duplicates Z: 13 11.144 1.921 0.694 0.422 0.833 0.583 CA 1.287 13 residues pruned to eliminate duplicates Z: 13 10.939 1.728 0.918 0.441 0.833 0.583 CB 1.216 13 residues pruned to eliminate duplicates Z: 6 6.134 1.772 0.177 0.683 0.800 0.600 CA 1.390 6 residues pruned to eliminate duplicates Z: 16 25.005 2.125 0.810 0.876 0.867 0.467 CA 1.407 17 residues pruned to eliminate duplicates Z: 8 5.625 1.671 0.329 0.479 0.714 0.571 CA 1.370 8 residues pruned to eliminate duplicates Z: 7 5.584 1.717 0.113 0.404 1.000 0.500 CB 1.319 Z: 7 5.464 1.740 0.381 0.571 0.833 0.667 CB 1.040 9 residues pruned to eliminate duplicates Z: 9 6.144 1.792 0.197 0.516 0.750 0.500 CB 1.329 9 residues pruned to eliminate duplicates Z: 13 14.569 1.853 0.781 0.548 1.000 0.667 CB 1.216 13 residues pruned to eliminate duplicates Z: 18 27.859 2.012 0.878 0.919 1.000 0.765 CA 1.260 16 residues pruned to eliminate duplicates Z: 22 11.535 2.031 0.343 0.353 0.762 0.429 CA 1.419 26 residues pruned to eliminate duplicates Z: 21 35.190 2.273 0.677 0.909 1.000 0.650 CB 1.465 21 residues pruned to eliminate duplicates Z: 8 5.992 1.687 0.159 0.521 0.857 0.571 N 1.323 8 residues pruned to eliminate duplicates Z: 27 10.957 1.930 0.398 0.374 0.846 0.462 CB 1.077 27 residues pruned to eliminate duplicates Z: 6 11.124 2.045 0.558 0.655 1.000 1.000 CA 1.352 6 residues pruned to eliminate duplicates Z: 11 8.427 1.698 0.319 0.486 0.900 0.700 CB 1.341 11 residues pruned to eliminate duplicates Z: 9 10.875 2.028 0.247 0.550 1.000 0.750 CA 1.448 9 residues pruned to eliminate duplicates Z: 8 6.543 1.430 0.577 0.789 0.857 0.571 N 0.993 Z: 56 31.237 1.992 0.571 0.540 0.873 0.709 CA 1.483 56 residues pruned to eliminate duplicates Z: 9 3.013 1.746 -0.183 0.346 0.875 0.625 CB 1.008 9 residues pruned to eliminate duplicates Z: 18 12.745 1.945 0.351 0.401 0.941 0.588 CB 1.386 18 residues pruned to eliminate duplicates Z: 8 10.319 1.699 0.680 0.875 1.000 1.000 CA 0.994 8 residues pruned to eliminate duplicates Z: 7 7.172 1.686 0.301 0.791 1.000 0.667 CB 1.034 Z: 12 17.387 1.951 0.863 0.488 1.000 0.727 CB 1.460 12 residues pruned to eliminate duplicates Z: 18 33.292 2.216 0.818 0.871 0.941 0.588 CB 1.553 18 residues pruned to eliminate duplicates Z: 12 7.298 1.754 0.529 0.462 0.818 0.545 CB 1.043 12 residues pruned to eliminate duplicates Z: 9 4.751 1.618 0.220 0.529 0.875 0.625 CB 0.946 Z: 22 24.097 2.107 0.345 0.918 1.000 0.952 CB 1.309 22 residues pruned to eliminate duplicates Z: 9 15.423 1.893 0.885 0.781 0.875 0.750 CA 1.364 9 residues pruned to eliminate duplicates Z: 7 4.348 1.686 -0.091 0.451 0.833 0.667 N 1.462 Z: 6 5.573 1.690 0.360 0.478 1.000 0.600 CB 1.109 6 residues pruned to eliminate duplicates Z: 8 3.735 1.791 -0.199 0.384 1.000 0.571 CB 1.112 8 residues pruned to eliminate duplicates Z: 18 8.044 1.810 0.563 0.378 0.824 0.471 CB 0.954 9 residues pruned to eliminate duplicates Z: 19 21.776 2.148 0.354 0.927 1.000 0.833 CB 1.237 19 residues pruned to eliminate duplicates Z: 14 9.690 1.817 0.609 0.515 0.769 0.615 CB 1.177 14 residues pruned to eliminate duplicates Z: 10 8.898 1.874 0.451 0.633 0.778 0.667 CB 1.238 10 residues pruned to eliminate duplicates Z: 14 5.255 1.682 0.073 0.305 0.769 0.231 CB 1.304 10 residues pruned to eliminate duplicates Z: 8 3.485 1.486 -0.156 0.410 0.857 0.429 CA 1.348 8 residues pruned to eliminate duplicates Z: 8 4.923 1.420 0.483 0.582 1.000 0.857 CB 0.816 Z: 13 7.109 1.806 0.264 0.391 0.917 0.500 CB 1.101 13 residues pruned to eliminate duplicates Z: 7 4.760 1.622 0.182 0.482 0.833 0.500 CA 1.239 Z: 20 16.219 1.860 1.033 0.558 0.947 0.632 CB 0.982 20 residues pruned to eliminate duplicates Z: 17 9.624 1.698 0.379 0.402 0.875 0.438 CB 1.302 13 residues pruned to eliminate duplicates Z: 11 13.707 1.890 0.622 0.523 1.000 0.500 CB 1.382 11 residues pruned to eliminate duplicates Z: 22 40.568 2.145 1.047 0.872 1.000 0.429 CB 1.470 22 residues pruned to eliminate duplicates Z: 12 4.549 1.549 0.191 0.346 0.909 0.455 CB 0.967 Z: 19 22.568 2.099 0.314 0.880 1.000 0.944 CB 1.398 19 residues pruned to eliminate duplicates Z: 12 8.051 1.730 0.414 0.498 0.909 0.636 CB 1.094 12 residues pruned to eliminate duplicates Z: 20 6.835 1.454 0.568 0.317 0.737 0.474 CB 1.143 12 residues pruned to eliminate duplicates Z: 10 7.041 1.838 0.497 0.609 0.778 0.667 CA 0.989 10 residues pruned to eliminate duplicates Z: 8 4.315 1.700 0.905 0.291 0.571 0.429 CB 1.114 5 residues pruned to eliminate duplicates Z: 12 13.468 2.005 0.414 0.610 0.818 0.545 CA 1.577 12 residues pruned to eliminate duplicates Z: 6 9.820 1.744 0.777 0.693 1.000 0.800 CA 1.188 Z: 21 17.328 2.030 0.594 0.588 0.800 0.700 CB 1.376 21 residues pruned to eliminate duplicates Z: 10 8.726 1.918 0.349 0.473 0.889 0.556 CA 1.300 11 residues pruned to eliminate duplicates Z: 7 3.524 1.891 0.254 0.267 0.667 0.500 CB 1.186 7 residues pruned to eliminate duplicates Z: 8 7.415 1.553 0.668 0.488 0.857 0.571 CA 1.278 8 residues pruned to eliminate duplicates Z: 9 15.361 2.416 0.131 0.862 1.000 0.875 CB 1.460 9 residues pruned to eliminate duplicates Z: 10 6.106 1.869 0.270 0.354 0.778 0.667 CA 1.290 Z: 25 18.990 1.851 0.562 0.471 1.000 0.458 CB 1.380 25 residues pruned to eliminate duplicates Z: 19 18.784 2.078 0.258 0.781 1.000 0.889 CB 1.322 19 residues pruned to eliminate duplicates Z: 25 18.024 2.017 0.915 0.365 0.833 0.583 CA 1.321 25 residues pruned to eliminate duplicates Z: 12 14.119 1.818 0.929 0.501 0.909 0.545 CA 1.334 12 residues pruned to eliminate duplicates Z: 20 30.765 2.126 0.857 0.916 0.842 0.579 CB 1.500 20 residues pruned to eliminate duplicates Z: 7 8.539 2.001 0.764 0.575 0.833 0.667 CB 1.102 7 residues pruned to eliminate duplicates Z: 9 8.411 1.940 0.696 0.509 1.000 0.875 CB 0.895 9 residues pruned to eliminate duplicates Z: 6 4.768 1.628 -0.077 0.688 0.800 0.800 N 1.493 Z: 9 7.003 1.768 1.031 0.415 1.000 0.750 CB 0.753 8 residues pruned to eliminate duplicates Z: 11 9.056 1.830 0.371 0.402 0.900 0.800 CB 1.407 11 residues pruned to eliminate duplicates Z: 21 39.116 2.296 0.928 0.924 0.950 0.550 CB 1.460 21 residues pruned to eliminate duplicates Z: 8 9.556 1.885 0.593 0.529 1.000 0.571 CA 1.168 8 residues pruned to eliminate duplicates Z: 7 8.260 1.834 0.720 0.596 0.833 0.667 CB 1.170 8 residues pruned to eliminate duplicates 6 1.930 1.615 -0.001 0.272 0.800 0.200 CB 0.866 ? Z: 10 5.728 1.709 0.252 0.447 0.667 0.556 CA 1.415 10 residues pruned to eliminate duplicates Z: 14 10.869 1.838 0.576 0.452 0.923 0.615 CB 1.185 14 residues pruned to eliminate duplicates Z: 11 2.301 1.391 0.023 0.247 0.700 0.400 CA 0.979 Z: 12 7.844 1.733 0.822 0.463 0.818 0.545 CB 0.950 12 residues pruned to eliminate duplicates Z: 7 6.204 1.655 0.458 0.617 1.000 1.000 CB 0.940 9 residues pruned to eliminate duplicates Z: 10 8.437 1.745 0.720 0.606 0.667 0.667 CB 1.271 10 residues pruned to eliminate duplicates Z: 22 37.416 2.144 1.095 0.929 0.952 0.429 CB 1.335 22 residues pruned to eliminate duplicates Z: 8 3.644 1.584 0.315 0.567 0.857 0.571 N 0.723 8 residues pruned to eliminate duplicates Z: 18 18.658 2.105 0.305 0.908 0.882 0.647 CB 1.327 18 residues pruned to eliminate duplicates Z: 6 2.229 1.608 -0.045 0.226 0.800 0.400 CA 1.118 Z: 7 3.431 1.671 0.133 0.461 1.000 0.667 CA 0.770 7 residues pruned to eliminate duplicates Z: 7 8.130 1.816 0.572 0.638 0.833 0.833 CA 1.227 8 residues pruned to eliminate duplicates Z: 20 37.229 2.240 0.833 0.926 1.000 0.789 CB 1.459 20 residues pruned to eliminate duplicates Z: 10 9.886 1.811 0.387 0.576 0.889 0.889 CB 1.372 10 residues pruned to eliminate duplicates Z: 33 36.708 2.178 0.613 0.721 0.969 0.812 CA 1.562 33 residues pruned to eliminate duplicates Z: 16 8.442 1.591 0.343 0.439 0.933 0.533 N 1.164 8 residues pruned to eliminate duplicates Z: 9 9.542 1.885 0.731 0.440 0.750 0.625 CA 1.466 8 residues pruned to eliminate duplicates Z: 9 3.153 1.524 0.459 0.395 0.625 0.500 CA 0.896 9 residues pruned to eliminate duplicates Z: 7 10.489 1.650 0.498 0.875 1.000 0.833 N 1.260 6 residues pruned to eliminate duplicates Z: 15 15.161 2.113 0.218 0.613 0.929 0.714 CA 1.524 15 residues pruned to eliminate duplicates Z: 9 6.611 1.778 0.629 0.344 0.750 0.375 CA 1.275 8 residues pruned to eliminate duplicates Z: 6 4.102 1.689 -0.407 0.778 1.000 0.800 O 1.432 4 residues pruned to eliminate duplicates Z: 7 9.312 1.973 0.606 0.761 1.000 0.833 CB 0.952 7 residues pruned to eliminate duplicates Z: 11 5.155 1.617 0.067 0.400 0.900 0.500 CB 1.167 11 residues pruned to eliminate duplicates Z: 10 8.966 1.886 0.421 0.522 0.778 0.778 CB 1.403 10 residues pruned to eliminate duplicates Z: 8 8.555 1.740 0.731 0.548 0.857 0.714 CB 1.195 8 residues pruned to eliminate duplicates Z: 11 7.169 1.720 0.604 0.499 0.800 0.600 CB 1.028 11 residues pruned to eliminate duplicates Z: 11 4.100 1.667 0.196 0.354 0.900 0.700 CB 0.846 Z: 31 29.812 2.135 0.427 0.702 0.933 0.833 CB 1.593 31 residues pruned to eliminate duplicates Z: 22 18.438 2.069 0.475 0.505 0.857 0.619 CB 1.531 22 residues pruned to eliminate duplicates Z: 18 6.106 1.741 0.208 0.358 0.824 0.588 CB 0.996 Z: 7 7.366 1.615 0.514 0.795 1.000 1.000 CB 0.949 7 residues pruned to eliminate duplicates Z: 7 2.353 1.396 0.260 0.347 0.833 0.500 CB 0.774 7 residues pruned to eliminate duplicates Z: 17 27.132 2.160 0.776 0.910 1.000 0.812 CB 1.255 17 residues pruned to eliminate duplicates Z: 8 6.287 1.682 0.752 0.411 0.714 0.429 CB 1.239 7 residues pruned to eliminate duplicates Z: 9 12.743 1.909 0.425 0.478 1.000 0.375 CB 1.694 12 residues pruned to eliminate duplicates Z: 9 3.270 1.518 0.509 0.146 0.750 0.250 CB 1.041 9 residues pruned to eliminate duplicates Z: 15 5.334 1.678 0.385 0.424 0.786 0.571 CB 0.845 15 residues pruned to eliminate duplicates Z: 16 45.766 2.296 1.183 0.932 1.000 0.600 CB 1.647 17 residues pruned to eliminate duplicates Z: 19 17.571 1.965 0.698 0.546 0.944 0.722 CB 1.256 22 residues pruned to eliminate duplicates Z: 11 13.321 2.048 0.387 0.526 0.900 0.600 CB 1.606 11 residues pruned to eliminate duplicates Z: 6 5.234 1.719 0.377 0.332 1.000 0.400 N 1.189 Z: 11 9.098 1.780 0.525 0.498 0.900 0.600 CA 1.180 11 residues pruned to eliminate duplicates Z: 7 3.703 1.719 0.018 0.554 0.667 0.500 CB 1.230 Z: 7 2.961 1.483 -0.151 0.442 1.000 0.833 N 1.018 7 residues pruned to eliminate duplicates Z: 6 4.830 1.706 -0.033 0.750 1.000 0.800 N 1.047 Z: 6 4.338 1.714 0.547 0.490 0.600 0.600 CB 1.231 5 residues pruned to eliminate duplicates Z: 12 7.590 1.612 0.327 0.505 0.818 0.636 CB 1.302 11 residues pruned to eliminate duplicates Z: 21 22.096 2.178 0.397 0.518 1.000 0.750 CB 1.595 21 residues pruned to eliminate duplicates Z: 6 6.027 1.918 0.430 0.765 0.600 0.200 CA 1.295 6 residues pruned to eliminate duplicates Z: 9 5.748 1.758 0.131 0.559 0.750 0.625 CB 1.287 9 residues pruned to eliminate duplicates Z: 32 27.796 2.072 0.383 0.687 0.968 0.871 CB 1.517 32 residues pruned to eliminate duplicates Z: 7 9.216 1.881 0.411 0.550 1.000 0.833 CB 1.351 7 residues pruned to eliminate duplicates Z: 10 8.988 1.762 0.569 0.503 0.889 0.667 CB 1.215 11 residues pruned to eliminate duplicates Z: 6 2.429 1.646 -0.255 0.525 0.800 0.400 CB 1.080 Z: 7 3.670 1.588 0.174 0.571 0.667 0.667 CA 1.126 7 residues pruned to eliminate duplicates Z: 8 6.075 1.658 0.376 0.594 0.857 0.714 CB 1.073 8 residues pruned to eliminate duplicates Z: 12 5.753 1.615 0.021 0.345 1.000 0.818 CB 1.245 18 residues pruned to eliminate duplicates Z: 8 3.208 1.664 0.319 0.379 0.857 0.571 CB 0.733 8 residues pruned to eliminate duplicates Z: 12 8.466 1.786 0.454 0.461 0.818 0.545 CB 1.250 9 residues pruned to eliminate duplicates Z: 29 15.163 1.854 0.315 0.451 0.929 0.607 CB 1.331 28 residues pruned to eliminate duplicates Z: 9 3.628 1.491 0.372 0.496 0.875 0.750 CB 0.720 Z: 21 30.267 2.164 0.586 0.901 1.000 0.850 CB 1.407 21 residues pruned to eliminate duplicates Z: 6 2.530 1.485 0.314 0.299 0.600 0.600 CB 1.210 7 1.574 1.482 0.013 0.452 0.667 0.667 CB 0.674 ? Z: 6 7.069 1.707 0.030 0.829 1.000 1.000 N 1.352 6 residues pruned to eliminate duplicates Z: 13 23.744 2.132 0.642 0.765 1.000 0.833 CB 1.548 13 residues pruned to eliminate duplicates Z: 7 7.321 1.813 0.568 0.673 0.833 0.833 CA 1.076 7 residues pruned to eliminate duplicates Z: 14 5.201 1.652 0.391 0.269 0.615 0.385 CA 1.327 14 residues pruned to eliminate duplicates Z: 7 3.950 1.439 1.160 0.238 0.667 0.500 N 1.055 8 1.592 1.527 0.261 0.244 0.571 0.429 CB 0.735 ? Z: 10 10.096 1.718 0.567 0.516 1.000 0.333 CB 1.230 9 residues pruned to eliminate duplicates Z: 6 3.315 1.280 0.282 0.644 1.000 0.800 C 0.790 Z: 10 4.527 1.684 0.394 0.165 0.778 0.556 CA 1.243 10 residues pruned to eliminate duplicates Z: 21 11.421 1.664 0.634 0.494 0.800 0.550 CB 1.181 16 residues pruned to eliminate duplicates Z: 6 7.586 1.698 0.482 0.829 1.000 0.800 CB 1.015 6 residues pruned to eliminate duplicates Z: 10 3.890 1.478 0.052 0.389 0.889 0.333 CA 1.056 Z: 6 3.490 1.536 0.180 0.385 0.800 0.600 N 1.217 Z: 10 10.586 1.747 0.848 0.608 0.889 0.444 CB 1.110 10 residues pruned to eliminate duplicates Z: 7 2.746 1.610 0.723 0.302 0.667 0.500 CB 0.756 Z: 11 15.182 2.213 0.375 0.738 1.000 0.600 CB 1.274 11 residues pruned to eliminate duplicates Z: 6 2.182 1.422 0.373 0.349 0.600 0.400 CA 0.981 6 residues pruned to eliminate duplicates Z: 11 9.752 1.663 0.719 0.575 0.900 0.700 CB 1.115 16 residues pruned to eliminate duplicates Z: 10 7.148 1.634 0.414 0.582 0.889 0.667 N 1.073 9 residues pruned to eliminate duplicates Z: 14 17.280 1.784 1.050 0.464 1.000 0.692 CB 1.359 13 residues pruned to eliminate duplicates Z: 11 5.755 1.842 0.251 0.498 0.900 0.600 CB 0.879 11 residues pruned to eliminate duplicates Z: 6 4.014 1.664 0.554 0.467 0.600 0.600 CA 1.196 6 residues pruned to eliminate duplicates Z: 7 3.919 1.644 -0.191 0.531 1.000 0.500 CA 1.167 7 residues pruned to eliminate duplicates Z: 14 10.049 1.632 0.344 0.439 1.000 0.692 N 1.353 12 residues pruned to eliminate duplicates Z: 9 3.264 1.330 0.209 0.451 0.750 0.500 N 1.006 3 residues pruned to eliminate duplicates Z: 20 33.038 2.062 0.936 0.868 0.947 0.737 CB 1.464 20 residues pruned to eliminate duplicates Z: 15 7.870 1.893 0.536 0.286 0.929 0.357 CA 0.991 15 residues pruned to eliminate duplicates Z: 13 7.986 1.736 0.485 0.414 0.833 0.583 CB 1.174 11 residues pruned to eliminate duplicates Z: 19 14.810 1.838 0.801 0.543 0.889 0.389 CB 1.137 19 residues pruned to eliminate duplicates Z: 16 11.178 2.066 0.699 0.256 0.867 0.467 CA 1.255 16 residues pruned to eliminate duplicates Z: 18 13.785 1.871 0.533 0.449 1.000 0.471 CB 1.228 25 residues pruned to eliminate duplicates 6 1.350 1.372 0.266 0.100 0.600 0.600 N 0.965 ? Z: 10 3.933 1.559 -0.187 0.378 0.889 0.556 CA 1.326 10 residues pruned to eliminate duplicates Z: 14 17.254 2.056 0.561 0.696 0.923 0.692 CB 1.350 14 residues pruned to eliminate duplicates Z: 18 12.212 1.868 0.616 0.405 0.824 0.471 CB 1.317 22 residues pruned to eliminate duplicates Z: 7 8.148 1.755 0.384 0.734 1.000 0.667 CB 1.109 7 residues pruned to eliminate duplicates Z: 9 4.139 1.528 0.124 0.297 0.875 0.500 N 1.221 9 residues pruned to eliminate duplicates Z: 7 2.098 1.586 0.463 0.083 0.500 0.500 CA 1.266 7 residues pruned to eliminate duplicates Z: 16 9.721 1.678 0.552 0.512 0.867 0.600 CB 1.099 16 residues pruned to eliminate duplicates Z: 14 9.853 1.904 0.849 0.461 0.846 0.769 CB 0.955 14 residues pruned to eliminate duplicates Z: 14 7.367 1.699 0.307 0.385 0.923 0.538 CB 1.126 13 residues pruned to eliminate duplicates Z: 9 2.653 1.751 0.381 0.179 0.500 0.375 CB 1.142 Z: 8 2.159 1.582 0.221 0.354 0.571 0.286 CB 0.866 Z: 7 14.748 1.941 0.929 0.875 1.000 0.667 CB 1.169 6 residues pruned to eliminate duplicates Z: 15 6.443 1.649 0.297 0.310 0.857 0.714 CB 1.160 11 residues pruned to eliminate duplicates Z: 9 5.402 2.092 0.249 0.330 0.875 0.375 CB 1.007 9 residues pruned to eliminate duplicates Z: 6 3.411 1.639 0.980 0.287 0.600 0.400 CB 0.996 Z: 8 9.154 1.729 0.730 0.788 0.857 0.714 CA 1.048 8 residues pruned to eliminate duplicates Z: 6 4.923 1.462 0.121 0.740 1.000 0.800 CA 1.084 6 residues pruned to eliminate duplicates Z: 6 3.322 1.597 0.123 0.594 1.000 0.800 C 0.757 5 residues pruned to eliminate duplicates Z: 6 4.413 1.635 -0.203 0.662 1.000 0.600 N 1.303 5 residues pruned to eliminate duplicates Z: 8 2.127 1.440 0.212 0.290 0.714 0.429 C 0.816 Z: 28 21.742 2.051 0.498 0.521 0.926 0.852 CB 1.440 28 residues pruned to eliminate duplicates Z: 19 17.988 1.941 0.337 0.864 1.000 0.667 CA 1.198 19 residues pruned to eliminate duplicates Z: 8 3.693 1.669 -0.079 0.383 0.857 0.571 CB 1.200 Z: 8 3.149 1.562 0.075 0.428 0.857 0.429 CB 0.891 Z: 10 14.594 2.089 0.388 0.667 1.000 0.778 CB 1.438 10 residues pruned to eliminate duplicates Z: 10 7.571 1.852 0.359 0.380 1.000 0.778 CB 1.140 10 residues pruned to eliminate duplicates Z: 7 5.349 1.738 0.534 0.389 0.833 0.500 CB 1.105 7 residues pruned to eliminate duplicates Z: 20 29.173 2.142 0.497 0.909 0.947 0.632 CB 1.565 20 residues pruned to eliminate duplicates Z: 10 6.242 1.747 0.220 0.473 0.778 0.556 N 1.290 10 residues pruned to eliminate duplicates Z: 12 14.473 1.832 0.812 0.522 1.000 0.818 CA 1.287 12 residues pruned to eliminate duplicates Z: 17 8.934 1.759 0.502 0.357 0.812 0.562 CB 1.215 17 residues pruned to eliminate duplicates Z: 6 3.844 1.636 1.004 0.247 1.000 0.200 CB 0.701 6 residues pruned to eliminate duplicates Z: 6 2.778 1.647 -0.004 0.293 0.800 0.400 CB 1.192 Z: 6 3.391 1.870 0.386 0.532 0.600 0.600 CB 0.945 6 residues pruned to eliminate duplicates Z: 8 19.928 1.937 1.022 0.850 1.000 0.714 CA 1.424 8 residues pruned to eliminate duplicates Z: 37 29.371 2.014 0.485 0.715 0.944 0.778 CB 1.427 37 residues pruned to eliminate duplicates Z: 29 32.780 2.147 0.528 0.751 1.000 0.857 CB 1.509 29 residues pruned to eliminate duplicates Z: 15 27.012 2.142 0.680 0.874 1.000 0.429 CB 1.459 15 residues pruned to eliminate duplicates Z: 20 16.190 2.018 0.014 0.924 1.000 0.842 CB 1.275 20 residues pruned to eliminate duplicates Z: 11 7.750 1.696 0.179 0.411 0.900 0.600 C 1.495 11 residues pruned to eliminate duplicates Z: 23 13.314 1.984 0.353 0.437 0.773 0.545 CA 1.461 19 residues pruned to eliminate duplicates Z: 9 6.066 1.688 0.466 0.522 0.875 0.625 CB 0.969 9 residues pruned to eliminate duplicates Z: 8 9.700 1.655 0.629 0.895 1.000 1.000 CA 0.975 8 residues pruned to eliminate duplicates Z: 6 2.433 1.682 -0.109 0.264 0.800 0.200 CA 1.188 6 residues pruned to eliminate duplicates Z: 22 20.370 2.193 0.692 0.401 0.905 0.619 CA 1.470 22 residues pruned to eliminate duplicates Z: 6 4.478 1.733 0.413 0.338 0.800 0.400 CB 1.220 6 residues pruned to eliminate duplicates Z: 6 7.276 1.536 0.765 0.732 1.000 0.400 CA 0.974 6 residues pruned to eliminate duplicates Z: 8 12.911 1.806 0.613 0.578 1.000 0.714 C 1.555 9 residues pruned to eliminate duplicates Z: 12 11.903 1.695 0.608 0.634 0.909 0.636 CB 1.277 9 residues pruned to eliminate duplicates Z: 7 6.129 1.660 0.164 0.776 1.000 0.500 CA 1.014 7 residues pruned to eliminate duplicates Z: 7 3.528 2.001 0.019 0.405 0.833 0.500 CB 0.936 7 residues pruned to eliminate duplicates Z: 17 19.165 2.147 0.496 0.529 0.938 0.562 CA 1.546 17 residues pruned to eliminate duplicates Z: 9 7.497 1.790 0.414 0.387 0.875 0.625 CA 1.349 8 residues pruned to eliminate duplicates Z: 8 5.449 1.735 0.277 0.506 0.714 0.714 N 1.293 8 residues pruned to eliminate duplicates Z: 11 6.117 1.801 0.321 0.409 0.900 0.400 CB 0.993 10 residues pruned to eliminate duplicates Z: 18 10.163 1.769 0.264 0.561 0.824 0.529 CB 1.261 18 residues pruned to eliminate duplicates Z: 7 11.629 1.772 0.595 0.811 0.833 0.833 CA 1.538 7 residues pruned to eliminate duplicates Z: 6 4.629 1.621 0.910 0.298 0.800 0.400 CA 1.047 Z: 11 5.654 1.534 0.880 0.370 0.700 0.500 CB 1.018 11 residues pruned to eliminate duplicates Z: 7 9.510 1.760 0.367 0.648 1.000 0.667 N 1.406 7 residues pruned to eliminate duplicates Z: 15 10.975 1.771 0.949 0.443 0.857 0.643 CB 1.051 16 residues pruned to eliminate duplicates Z: 26 26.513 2.051 0.669 0.549 0.880 0.560 CB 1.678 26 residues pruned to eliminate duplicates Z: 10 6.462 1.831 0.104 0.471 0.778 0.556 CB 1.411 10 residues pruned to eliminate duplicates Z: 11 6.634 1.776 0.099 0.470 0.900 0.500 CB 1.231 11 residues pruned to eliminate duplicates Z: 12 5.244 1.642 0.338 0.304 0.727 0.455 CB 1.231 12 residues pruned to eliminate duplicates Z: 10 2.606 1.497 0.313 0.314 0.778 0.444 CB 0.698 10 residues pruned to eliminate duplicates Z: 30 28.631 2.102 0.463 0.673 1.000 0.897 CB 1.474 30 residues pruned to eliminate duplicates Z: 12 5.466 1.607 0.089 0.462 0.818 0.636 CB 1.196 12 residues pruned to eliminate duplicates Z: 11 2.640 1.456 0.145 0.356 0.700 0.500 CB 0.836 10 residues pruned to eliminate duplicates Z: 12 12.608 1.858 1.211 0.608 0.818 0.727 CB 1.021 10 residues pruned to eliminate duplicates Z: 17 8.431 1.765 0.538 0.367 0.875 0.562 CB 1.023 13 residues pruned to eliminate duplicates Z: 16 18.925 2.004 0.793 0.922 1.000 0.867 CA 0.957 16 residues pruned to eliminate duplicates Z: 8 2.462 1.370 0.174 0.341 0.714 0.429 CB 0.964 Z: 8 10.790 1.860 0.762 0.534 1.000 0.571 CB 1.204 8 residues pruned to eliminate duplicates Z: 11 15.453 1.808 0.669 0.729 1.000 0.900 CB 1.317 9 residues pruned to eliminate duplicates Z: 6 3.233 1.314 0.223 0.553 1.000 0.600 CA 0.854 Z: 16 8.226 1.993 0.244 0.290 0.867 0.467 CA 1.251 16 residues pruned to eliminate duplicates Z: 13 5.673 1.564 0.604 0.421 0.917 0.417 CB 0.774 Z: 7 8.421 1.951 0.377 0.732 1.000 1.000 CB 1.039 7 residues pruned to eliminate duplicates Z: 8 3.555 1.394 0.449 0.499 0.714 0.571 CB 0.933 Z: 10 5.985 1.535 0.283 0.446 0.889 0.667 CB 1.205 10 residues pruned to eliminate duplicates Z: 7 3.141 1.765 -0.082 0.404 1.000 0.333 CB 0.875 7 residues pruned to eliminate duplicates Z: 22 15.628 2.140 0.419 0.452 0.810 0.429 CB 1.458 22 residues pruned to eliminate duplicates Z: 11 19.610 2.002 0.746 0.608 1.000 0.700 CB 1.602 11 residues pruned to eliminate duplicates Z: 6 12.937 1.692 0.996 0.748 1.000 0.600 CA 1.372 11 residues pruned to eliminate duplicates Z: 12 7.108 1.696 0.362 0.459 0.909 0.818 CB 1.064 12 residues pruned to eliminate duplicates Z: 8 3.647 1.509 0.328 0.392 0.714 0.714 CA 1.080 Z: 27 29.084 2.037 0.698 0.634 0.962 0.692 CB 1.513 27 residues pruned to eliminate duplicates Z: 11 3.473 1.369 0.332 0.308 0.900 0.400 CB 0.828 11 residues pruned to eliminate duplicates Z: 8 3.158 1.627 0.168 0.403 0.857 0.286 CB 0.811 Z: 7 3.808 1.619 0.006 0.766 0.833 0.667 CB 0.905 Z: 7 3.405 1.530 -0.185 0.750 1.000 0.833 CB 0.891 8 residues pruned to eliminate duplicates Z: 9 6.133 1.830 -0.057 0.592 0.875 0.750 CA 1.315 9 residues pruned to eliminate duplicates Z: 8 7.939 1.603 0.393 0.788 1.000 0.857 CA 1.044 8 residues pruned to eliminate duplicates Z: 26 23.051 1.907 0.685 0.599 0.960 0.840 CB 1.360 26 residues pruned to eliminate duplicates Z: 9 9.158 1.699 0.408 0.595 1.000 0.625 N 1.237 8 residues pruned to eliminate duplicates Z: 7 12.332 2.129 0.330 0.776 1.000 0.833 CA 1.392 6 1.195 1.298 0.261 0.294 0.600 0.400 CA 0.686 ? Z: 7 7.961 1.559 0.550 0.873 1.000 1.000 CA 0.979 6 residues pruned to eliminate duplicates Z: 19 24.003 2.166 0.606 0.500 0.944 0.611 CB 1.722 19 residues pruned to eliminate duplicates 7 0.810 1.137 0.542 0.259 0.667 0.333 CB 0.373 ? Z: 7 2.529 1.501 0.175 0.381 0.667 0.333 CB 0.996 Z: 9 6.928 1.666 0.312 0.516 1.000 0.500 CA 1.103 9 residues pruned to eliminate duplicates Z: 6 2.702 1.417 0.328 0.298 0.800 0.400 CB 1.006 Z: 8 9.286 1.807 0.512 0.705 0.857 0.714 CB 1.244 16 residues pruned to eliminate duplicates Z: 10 4.717 1.534 0.478 0.361 0.778 0.556 CB 1.035 10 residues pruned to eliminate duplicates Z: 6 2.743 1.518 0.145 0.440 0.800 0.600 N 0.938 Z: 8 2.599 1.433 0.559 0.214 0.714 0.429 CA 0.863 Z: 7 3.987 1.584 0.224 0.474 0.833 0.333 CA 1.034 6 1.596 1.227 -0.120 0.475 0.800 0.600 CA 0.848 ? Z: 27 19.832 1.898 0.723 0.716 0.962 0.769 CA 1.017 27 residues pruned to eliminate duplicates Z: 8 3.453 1.401 0.806 0.288 0.714 0.429 N 0.916 Z: 12 16.494 1.986 0.707 0.591 0.909 0.909 CA 1.479 12 residues pruned to eliminate duplicates Z: 17 8.379 1.655 0.422 0.534 0.875 0.688 CB 0.984 27 residues pruned to eliminate duplicates Z: 8 2.820 1.243 0.286 0.582 0.857 0.571 CB 0.719 Z: 8 3.205 1.405 0.197 0.276 1.000 0.714 CB 0.929 Z: 19 24.120 2.195 0.312 0.722 1.000 0.889 CA 1.617 19 residues pruned to eliminate duplicates Z: 11 5.920 1.586 0.589 0.417 0.800 0.400 CB 1.013 4 residues pruned to eliminate duplicates Z: 9 5.009 1.539 0.345 0.443 0.875 0.500 CA 1.037 8 residues pruned to eliminate duplicates Z: 6 8.922 1.675 0.640 0.743 1.000 0.800 N 1.169 Z: 6 10.105 1.659 0.923 0.860 1.000 1.000 N 1.042 12 residues pruned to eliminate duplicates Z: 10 5.145 1.676 0.693 0.240 0.778 0.556 CB 1.049 10 residues pruned to eliminate duplicates Z: 12 4.793 1.793 0.372 0.298 0.818 0.273 CB 0.900 12 residues pruned to eliminate duplicates Z: 6 4.118 1.548 0.233 0.536 0.800 0.600 CB 1.164 Z: 21 8.471 1.667 0.867 0.301 0.750 0.450 CB 1.013 21 residues pruned to eliminate duplicates Z: 11 4.336 1.491 0.470 0.317 0.800 0.500 CB 0.957 10 residues pruned to eliminate duplicates Z: 6 4.865 1.490 0.299 0.464 1.000 0.800 CB 1.166 6 residues pruned to eliminate duplicates Z: 27 20.257 1.974 0.518 0.482 0.885 0.615 CB 1.526 27 residues pruned to eliminate duplicates Z: 15 8.859 1.633 0.416 0.465 0.929 0.714 CB 1.143 18 residues pruned to eliminate duplicates Z: 6 2.456 1.380 0.162 0.409 0.800 0.400 CB 0.942 Z: 8 8.097 1.757 0.704 0.701 1.000 0.857 CB 0.851 Z: 6 3.160 1.490 0.468 0.501 0.600 0.600 N 1.076 Z: 11 6.580 1.349 0.658 0.586 0.800 0.400 C 1.070 5 residues pruned to eliminate duplicates Z: 10 3.902 1.633 0.520 0.281 0.778 0.222 CB 0.862 Z: 6 3.766 1.499 0.462 0.736 1.000 0.800 CB 0.622 6 residues pruned to eliminate duplicates Z: 9 2.322 1.282 0.155 0.183 1.000 0.375 CB 0.811 Z: 20 20.128 2.039 0.575 0.585 0.895 0.684 CA 1.481 20 residues pruned to eliminate duplicates Z: 14 20.722 2.282 0.245 0.847 0.923 0.923 CA 1.628 14 residues pruned to eliminate duplicates Z: 14 5.186 1.583 0.629 0.296 0.846 0.385 CB 0.828 8 residues pruned to eliminate duplicates Z: 9 8.877 1.618 0.674 0.522 1.000 0.625 C 1.133 Z: 12 7.854 1.782 0.364 0.655 0.909 0.364 CB 0.928 12 residues pruned to eliminate duplicates 6 1.761 1.388 0.248 0.728 0.800 0.800 CB 0.463 ? Z: 8 2.663 1.415 0.188 0.392 0.714 0.286 CB 0.940 Z: 7 7.458 1.837 0.248 0.585 0.833 0.833 N 1.468 7 residues pruned to eliminate duplicates Z: 8 3.748 1.369 0.732 0.420 0.857 0.571 N 0.757 Z: 6 6.110 1.749 0.263 0.832 1.000 1.000 CB 0.929 6 residues pruned to eliminate duplicates Z: 6 2.021 1.349 0.661 0.298 0.600 0.400 N 0.842 Z: 7 4.167 1.259 0.536 0.499 1.000 0.500 N 0.881 Z: 7 3.687 1.281 0.723 0.549 0.667 0.500 N 0.975 Z: 9 12.674 1.646 0.705 0.864 1.000 0.750 CB 1.171 9 residues pruned to eliminate duplicates Z: 18 17.023 2.143 0.246 0.634 0.882 0.765 CB 1.545 18 residues pruned to eliminate duplicates Z: 8 4.278 1.199 0.703 0.868 1.000 0.571 CB 0.579 Z: 6 10.900 2.028 0.128 0.778 1.000 0.800 CB 1.667 7 residues pruned to eliminate duplicates Z: 9 4.315 1.268 0.639 0.548 0.875 0.625 N 0.800 Z: 12 8.857 1.710 0.578 0.512 0.909 0.636 CB 1.076 12 residues pruned to eliminate duplicates Z: 15 6.942 1.501 0.425 0.559 1.000 0.786 CA 0.820 13 residues pruned to eliminate duplicates Z: 14 8.786 1.884 0.320 0.451 0.846 0.692 CA 1.219 14 residues pruned to eliminate duplicates Z: 10 3.468 1.356 0.451 0.337 0.778 0.556 CB 0.902 Z: 6 4.212 1.699 0.299 0.476 1.000 0.800 CB 0.875 6 residues pruned to eliminate duplicates Z: 6 2.630 1.340 0.039 0.503 0.800 0.200 CA 1.053 Z: 22 13.461 1.856 0.689 0.398 0.857 0.524 CB 1.218 22 residues pruned to eliminate duplicates Z: 9 13.877 2.037 0.778 0.691 1.000 0.625 CB 1.137 9 residues pruned to eliminate duplicates Z: 7 2.435 1.576 0.129 0.323 0.833 0.667 CA 0.815 Z: 30 31.560 2.077 0.812 0.609 0.931 0.517 CA 1.508 29 residues pruned to eliminate duplicates Z: 12 6.996 1.556 0.347 0.537 0.909 0.636 CB 1.068 12 residues pruned to eliminate duplicates Z: 9 9.729 1.934 0.608 0.597 0.875 0.750 CB 1.152 12 residues pruned to eliminate duplicates Z: 10 3.272 1.454 0.563 0.321 0.667 0.556 CB 0.878 Z: 7 2.543 1.123 0.280 0.503 0.833 0.500 O 0.864 5 residues pruned to eliminate duplicates Z: 8 2.249 1.547 0.140 0.353 0.714 0.429 N 0.791 8 residues pruned to eliminate duplicates Z: 6 4.437 1.386 1.299 0.444 0.800 0.600 CA 0.824 Z: 6 8.857 1.638 0.754 0.817 1.000 1.000 N 1.047 Z: 37 31.718 1.973 0.524 0.701 1.000 0.778 CB 1.464 37 residues pruned to eliminate duplicates Z: 9 16.653 2.082 0.752 0.686 1.000 0.875 CB 1.361 10 residues pruned to eliminate duplicates Z: 16 8.804 1.894 0.586 0.265 0.933 0.733 CB 1.059 18 residues pruned to eliminate duplicates Z: 20 26.605 1.917 0.905 0.917 0.947 0.526 CA 1.245 20 residues pruned to eliminate duplicates Z: 13 12.259 1.848 0.781 0.507 0.917 0.667 CB 1.166 16 residues pruned to eliminate duplicates Z: 8 2.908 1.350 0.671 0.270 0.571 0.429 CB 1.107 Z: 18 14.466 1.996 0.583 0.466 0.882 0.647 CA 1.303 18 residues pruned to eliminate duplicates Z: 50 26.886 2.040 0.320 0.535 0.898 0.633 CB 1.535 66 residues pruned to eliminate duplicates 6 1.346 1.245 0.201 0.297 0.600 0.400 CB 0.841 ? Z: 14 7.586 1.783 0.278 0.447 0.846 0.538 CB 1.152 14 residues pruned to eliminate duplicates Z: 13 10.805 1.726 0.762 0.500 0.917 0.500 CB 1.119 13 residues pruned to eliminate duplicates Z: 9 18.021 2.078 1.027 0.767 1.000 0.750 CB 1.195 9 residues pruned to eliminate duplicates Z: 9 4.449 1.599 0.521 0.259 0.750 0.500 CB 1.136 Z: 6 2.917 1.510 0.101 0.424 0.800 0.600 CB 1.062 6 residues pruned to eliminate duplicates Z: 16 23.242 2.085 0.703 0.867 0.933 0.467 CA 1.325 16 residues pruned to eliminate duplicates Z: 7 2.907 1.320 0.766 0.376 0.667 0.500 CB 0.872 Z: 15 14.944 1.847 0.508 0.636 0.929 0.714 CA 1.360 15 residues pruned to eliminate duplicates Z: 13 6.534 1.718 0.274 0.399 0.833 0.667 CB 1.151 13 residues pruned to eliminate duplicates Z: 11 3.452 1.445 0.472 0.271 0.600 0.400 CB 1.110 Z: 8 2.854 1.378 0.233 0.274 0.714 0.714 CA 1.148 Z: 11 7.558 1.748 0.161 0.423 0.900 0.300 CA 1.417 11 residues pruned to eliminate duplicates 7 1.316 1.140 0.173 0.523 0.833 0.500 N 0.471 ? Z: 10 5.486 1.643 0.198 0.493 0.778 0.667 CB 1.204 10 residues pruned to eliminate duplicates Z: 6 4.499 1.381 0.121 0.867 1.000 0.800 CB 0.951 Z: 7 5.134 1.665 0.886 0.519 1.000 1.000 N 0.655 7 residues pruned to eliminate duplicates Z: 9 6.711 1.646 0.593 0.494 0.875 0.625 CB 1.041 9 residues pruned to eliminate duplicates Z: 6 2.947 1.228 0.357 0.576 1.000 0.800 O 0.735 Z: 19 9.977 1.906 0.260 0.402 0.889 0.500 CB 1.221 19 residues pruned to eliminate duplicates Z: 7 5.759 1.677 0.969 0.260 0.833 0.500 CA 1.124 Z: 26 25.402 2.094 0.238 0.770 1.000 0.920 CB 1.543 26 residues pruned to eliminate duplicates Z: 8 3.152 1.340 0.285 0.396 0.714 0.429 C 1.080 Z: 19 26.455 2.090 0.517 0.796 0.944 0.889 CA 1.607 19 residues pruned to eliminate duplicates Z: 6 2.765 1.360 0.281 0.510 0.800 0.800 N 0.879 Z: 9 5.547 1.855 0.191 0.379 1.000 0.375 CB 1.010 9 residues pruned to eliminate duplicates Z: 13 5.051 1.493 0.399 0.250 0.917 0.500 N 1.016 Z: 11 5.809 2.009 0.204 0.333 0.800 0.400 CA 1.139 11 residues pruned to eliminate duplicates Z: 13 11.726 1.852 0.417 0.558 0.917 0.833 CA 1.330 13 residues pruned to eliminate duplicates Z: 19 9.786 1.809 0.438 0.376 0.889 0.556 CB 1.138 19 residues pruned to eliminate duplicates Z: 12 8.192 1.809 0.466 0.447 0.909 0.455 CB 1.081 12 residues pruned to eliminate duplicates Z: 9 14.237 1.817 0.775 0.649 1.000 0.500 CB 1.359 10 residues pruned to eliminate duplicates 6 1.285 1.397 -0.108 0.398 0.800 0.400 CA 0.643 ? Using tripeptides from previous cycle as seeds Z: 6 10.578 2.106 0.837 0.809 1.000 1.000 CB 0.934 6 residues pruned to eliminate duplicates Z: 7 10.727 1.988 1.150 0.817 1.000 1.000 CB 0.778 7 residues pruned to eliminate duplicates Z: 57 36.473 2.003 0.741 0.581 0.946 0.554 CB 1.366 52 residues pruned to eliminate duplicates Z: 44 40.664 2.098 0.866 0.680 0.930 0.488 CB 1.443 44 residues pruned to eliminate duplicates Z: 44 39.367 2.093 0.755 0.682 0.953 0.628 CA 1.450 45 residues pruned to eliminate duplicates Z: 8 11.681 2.025 0.634 0.569 0.857 0.571 CA 1.456 8 residues pruned to eliminate duplicates Z: 10 8.281 1.846 0.482 0.475 0.778 0.444 CB 1.331 10 residues pruned to eliminate duplicates Z: 9 9.660 1.916 0.713 0.479 0.875 0.625 CB 1.215 9 residues pruned to eliminate duplicates Z: 8 7.968 1.794 0.443 0.589 0.857 0.571 CA 1.247 8 residues pruned to eliminate duplicates Z: 9 8.404 1.959 0.442 0.465 0.875 0.625 CA 1.245 9 residues pruned to eliminate duplicates Z: 10 10.308 1.838 0.550 0.523 0.889 0.444 CA 1.326 10 residues pruned to eliminate duplicates Z: 11 7.349 1.717 0.518 0.384 0.900 0.500 CB 1.121 11 residues pruned to eliminate duplicates Z: 9 9.374 1.878 0.974 0.461 0.875 0.500 CB 1.063 22 residues pruned to eliminate duplicates 6 1.893 1.513 0.821 0.276 0.600 0.400 CA 0.660 ? Z: 6 4.606 1.567 0.509 0.300 0.800 0.400 CB 1.362 Z: 21 19.179 1.927 0.904 0.428 0.900 0.600 CB 1.399 40 residues pruned to eliminate duplicates Z: 7 4.657 1.477 0.768 0.361 0.833 0.333 N 1.015 7 residues pruned to eliminate duplicates Z: 16 16.437 2.058 0.833 0.600 0.867 0.800 CB 1.180 16 residues pruned to eliminate duplicates Z: 11 13.209 2.049 0.771 0.610 0.900 0.800 CB 1.152 11 residues pruned to eliminate duplicates Z: 9 16.238 2.076 0.789 0.754 1.000 0.875 CB 1.232 9 residues pruned to eliminate duplicates Z: 10 10.213 1.967 0.452 0.645 1.000 0.667 CB 1.041 10 residues pruned to eliminate duplicates Z: 11 10.506 1.941 0.720 0.602 0.900 0.700 CB 1.004 11 residues pruned to eliminate duplicates Z: 10 13.628 1.895 0.905 0.665 1.000 0.667 CB 1.080 10 residues pruned to eliminate duplicates Z: 11 12.020 1.840 0.641 0.592 1.000 0.600 CB 1.153 11 residues pruned to eliminate duplicates Z: 13 9.849 1.803 0.510 0.478 1.000 0.500 CB 1.068 13 residues pruned to eliminate duplicates Z: 9 12.913 2.012 0.355 0.676 1.000 1.000 CB 1.424 9 residues pruned to eliminate duplicates Z: 11 8.970 1.883 0.370 0.471 0.900 0.600 CA 1.258 11 residues pruned to eliminate duplicates Z: 10 8.135 1.949 0.409 0.499 0.889 0.667 CB 1.112 10 residues pruned to eliminate duplicates Z: 12 9.241 1.713 0.529 0.490 0.909 0.545 CB 1.181 12 residues pruned to eliminate duplicates Z: 13 8.907 1.779 0.520 0.427 0.833 0.667 CA 1.231 13 residues pruned to eliminate duplicates Z: 10 11.189 1.995 0.422 0.574 0.889 0.667 CB 1.377 Z: 12 3.852 1.810 -0.053 0.240 0.727 0.364 CB 1.260 10 residues pruned to eliminate duplicates Z: 6 4.394 1.717 0.288 0.314 1.000 0.400 CA 1.092 6 residues pruned to eliminate duplicates Z: 8 6.987 1.825 0.177 0.426 0.857 0.286 N 1.549 12 residues pruned to eliminate duplicates Z: 6 4.523 1.485 1.053 0.276 0.800 0.400 C 1.069 6 residues pruned to eliminate duplicates Z: 22 13.305 1.930 0.401 0.351 0.905 0.429 CB 1.394 19 residues pruned to eliminate duplicates Z: 6 4.480 1.620 0.302 0.477 0.800 0.400 CA 1.215 6 residues pruned to eliminate duplicates Z: 22 11.440 1.856 0.434 0.388 0.810 0.476 CB 1.306 22 residues pruned to eliminate duplicates Z: 27 13.704 1.818 0.351 0.413 0.885 0.423 CB 1.355 24 residues pruned to eliminate duplicates Z: 20 28.841 2.169 0.609 0.764 0.947 0.789 CB 1.583 20 residues pruned to eliminate duplicates Z: 34 29.706 2.120 0.500 0.613 0.939 0.727 CB 1.555 34 residues pruned to eliminate duplicates Z: 36 29.400 2.026 0.539 0.642 0.971 0.714 CB 1.437 36 residues pruned to eliminate duplicates Z: 29 31.003 2.131 0.717 0.630 0.929 0.714 CB 1.526 29 residues pruned to eliminate duplicates Z: 36 26.094 2.058 0.390 0.572 0.914 0.714 CB 1.573 36 residues pruned to eliminate duplicates Z: 26 28.208 2.129 0.472 0.689 0.920 0.800 CA 1.645 26 residues pruned to eliminate duplicates Z: 20 27.858 2.228 0.561 0.666 0.947 0.737 CB 1.663 20 residues pruned to eliminate duplicates Z: 32 29.166 2.123 0.425 0.636 0.968 0.645 CB 1.575 32 residues pruned to eliminate duplicates Z: 29 30.742 2.155 0.531 0.667 1.000 0.821 CB 1.509 29 residues pruned to eliminate duplicates Z: 32 29.192 2.105 0.601 0.607 0.935 0.710 CA 1.502 32 residues pruned to eliminate duplicates Z: 41 32.251 2.050 0.683 0.657 0.975 0.600 CB 1.310 41 residues pruned to eliminate duplicates Z: 33 29.039 2.122 0.544 0.590 0.906 0.688 CB 1.586 33 residues pruned to eliminate duplicates Z: 32 35.098 2.142 0.695 0.636 0.968 0.677 CB 1.579 32 residues pruned to eliminate duplicates Z: 37 30.071 2.059 0.496 0.597 0.972 0.667 CB 1.524 37 residues pruned to eliminate duplicates Z: 34 36.578 2.104 0.757 0.670 0.970 0.667 CB 1.518 36 residues pruned to eliminate duplicates Z: 12 19.281 2.027 1.053 0.905 0.818 0.545 CB 1.215 10 residues pruned to eliminate duplicates Z: 20 33.822 2.092 1.018 0.928 0.947 0.316 CB 1.359 20 residues pruned to eliminate duplicates Z: 12 9.589 2.059 0.505 0.359 0.818 0.364 CB 1.327 12 residues pruned to eliminate duplicates Z: 13 7.827 2.029 0.548 0.243 0.750 0.417 CB 1.290 12 residues pruned to eliminate duplicates Z: 7 5.550 1.712 0.486 0.441 0.667 0.333 CA 1.419 7 residues pruned to eliminate duplicates Z: 12 11.391 2.042 0.513 0.450 0.909 0.455 CB 1.287 12 residues pruned to eliminate duplicates Z: 12 11.991 2.063 0.508 0.482 0.909 0.545 CB 1.302 12 residues pruned to eliminate duplicates Z: 13 11.502 1.977 0.508 0.433 0.917 0.250 CB 1.302 15 residues pruned to eliminate duplicates Z: 8 6.531 1.679 0.159 0.577 0.857 0.714 CB 1.374 8 residues pruned to eliminate duplicates Z: 11 9.321 1.972 0.424 0.535 0.800 0.400 CB 1.268 11 residues pruned to eliminate duplicates Z: 12 13.203 2.026 0.373 0.484 0.909 0.727 CA 1.601 Z: 7 3.198 1.666 0.552 0.324 0.667 0.500 CA 0.920 6 1.962 1.329 0.573 0.292 0.600 0.600 CA 0.883 ? Z: 9 8.114 1.601 0.421 0.608 1.000 0.625 O 1.138 9 residues pruned to eliminate duplicates Z: 9 8.890 1.798 0.659 0.609 0.750 0.750 CB 1.266 9 residues pruned to eliminate duplicates Z: 8 13.618 1.885 0.956 0.657 0.857 0.571 N 1.408 8 residues pruned to eliminate duplicates Z: 13 6.459 1.746 0.750 0.346 0.667 0.417 CA 1.083 13 residues pruned to eliminate duplicates Z: 11 6.459 1.931 0.219 0.369 1.000 0.600 CB 0.999 11 residues pruned to eliminate duplicates Z: 15 7.383 1.742 0.733 0.276 0.714 0.429 CA 1.180 15 residues pruned to eliminate duplicates Z: 11 7.653 1.939 0.316 0.431 0.900 0.500 CB 1.133 11 residues pruned to eliminate duplicates Z: 12 7.623 1.935 0.912 0.326 0.636 0.364 CB 1.182 12 residues pruned to eliminate duplicates Z: 15 10.632 1.824 0.642 0.436 0.929 0.500 CA 1.091 15 residues pruned to eliminate duplicates Z: 15 11.205 1.848 0.614 0.465 0.857 0.429 CB 1.214 15 residues pruned to eliminate duplicates Z: 14 4.920 1.600 0.620 0.350 0.846 0.462 CB 0.732 12 residues pruned to eliminate duplicates Z: 22 28.781 2.090 0.471 0.899 1.000 0.952 CB 1.460 22 residues pruned to eliminate duplicates Z: 41 27.253 1.979 0.513 0.629 0.925 0.650 CB 1.379 41 residues pruned to eliminate duplicates Z: 32 26.460 2.073 0.402 0.635 0.968 0.774 CB 1.489 32 residues pruned to eliminate duplicates Z: 32 33.298 2.110 0.507 0.722 0.968 0.839 CB 1.589 32 residues pruned to eliminate duplicates Z: 33 35.318 2.127 0.478 0.737 1.000 0.812 CB 1.605 33 residues pruned to eliminate duplicates Z: 26 29.332 2.158 0.342 0.745 1.000 0.840 CB 1.627 26 residues pruned to eliminate duplicates Z: 33 33.367 2.040 0.561 0.715 0.969 0.719 CA 1.573 33 residues pruned to eliminate duplicates Z: 33 36.967 2.085 0.605 0.735 1.000 0.719 CB 1.581 33 residues pruned to eliminate duplicates Z: 37 32.100 2.058 0.532 0.706 0.972 0.639 CB 1.448 37 residues pruned to eliminate duplicates Z: 32 36.539 2.117 0.683 0.716 0.968 0.710 CB 1.565 32 residues pruned to eliminate duplicates Z: 31 36.767 2.155 0.577 0.739 1.000 0.767 CB 1.594 31 residues pruned to eliminate duplicates Z: 32 37.035 2.121 0.635 0.711 1.000 0.710 CB 1.584 32 residues pruned to eliminate duplicates Z: 37 36.345 2.030 0.604 0.716 1.000 0.667 CB 1.530 37 residues pruned to eliminate duplicates Z: 37 35.358 2.062 0.608 0.718 0.972 0.667 CB 1.501 37 residues pruned to eliminate duplicates Z: 31 37.622 2.137 0.732 0.737 1.000 0.700 CB 1.500 31 residues pruned to eliminate duplicates Z: 37 35.152 2.039 0.663 0.726 1.000 0.750 CB 1.410 37 residues pruned to eliminate duplicates Z: 39 30.283 1.996 0.597 0.643 0.947 0.737 CB 1.424 39 residues pruned to eliminate duplicates Z: 37 34.356 2.023 0.700 0.714 0.917 0.611 CB 1.496 37 residues pruned to eliminate duplicates Z: 38 36.437 2.030 0.785 0.716 0.973 0.676 CB 1.398 36 residues pruned to eliminate duplicates Z: 21 38.217 2.122 0.898 0.922 1.000 0.800 CB 1.492 23 residues pruned to eliminate duplicates Z: 7 4.421 1.983 0.443 0.403 0.833 0.667 CB 0.839 7 residues pruned to eliminate duplicates Z: 13 5.445 1.590 0.607 0.337 0.750 0.417 CB 0.980 11 residues pruned to eliminate duplicates Z: 7 4.655 1.671 0.308 0.501 0.667 0.500 CB 1.303 7 residues pruned to eliminate duplicates Z: 10 8.920 1.977 0.431 0.480 0.889 0.444 CB 1.207 11 residues pruned to eliminate duplicates Z: 6 3.344 1.507 0.509 0.309 0.800 0.600 CA 1.017 6 residues pruned to eliminate duplicates Z: 11 7.197 1.795 0.127 0.428 0.900 0.600 CB 1.346 11 residues pruned to eliminate duplicates Z: 14 8.661 1.661 0.212 0.521 0.923 0.385 N 1.266 15 residues pruned to eliminate duplicates Z: 7 5.427 1.902 0.267 0.556 0.833 0.667 CB 1.045 7 residues pruned to eliminate duplicates Z: 10 6.375 1.712 0.226 0.499 0.778 0.778 CA 1.303 10 residues pruned to eliminate duplicates Z: 8 6.159 1.767 0.113 0.513 0.857 0.571 CB 1.364 8 residues pruned to eliminate duplicates Z: 9 5.332 1.772 0.090 0.478 0.750 0.625 CB 1.331 9 residues pruned to eliminate duplicates Z: 9 6.846 1.699 -0.046 0.641 1.000 0.750 CB 1.309 9 residues pruned to eliminate duplicates Z: 8 8.734 1.885 0.218 0.670 0.857 0.714 N 1.434 8 residues pruned to eliminate duplicates Z: 9 4.501 1.934 0.316 0.310 0.750 0.500 CB 1.029 9 residues pruned to eliminate duplicates Z: 14 7.022 1.982 0.347 0.398 0.769 0.615 CB 1.055 14 residues pruned to eliminate duplicates Z: 17 5.110 1.674 0.141 0.251 0.875 0.562 CB 1.017 17 residues pruned to eliminate duplicates Z: 16 5.386 1.804 0.365 0.341 0.667 0.600 CB 1.007 16 residues pruned to eliminate duplicates Z: 9 3.964 1.912 0.309 0.328 0.750 0.625 CB 0.902 9 residues pruned to eliminate duplicates Z: 12 8.102 1.725 0.382 0.501 0.818 0.545 CB 1.250 12 residues pruned to eliminate duplicates Z: 7 8.351 1.864 0.429 0.671 0.833 0.667 CB 1.312 8 residues pruned to eliminate duplicates Z: 9 4.056 1.380 0.322 0.509 0.875 0.500 CA 0.890 9 residues pruned to eliminate duplicates Z: 13 8.763 1.643 0.596 0.538 0.750 0.417 CB 1.240 12 residues pruned to eliminate duplicates Z: 6 2.740 1.547 0.181 0.375 1.000 0.800 CB 0.767 6 residues pruned to eliminate duplicates Z: 23 10.833 1.848 0.327 0.338 0.864 0.591 CB 1.302 23 residues pruned to eliminate duplicates Z: 29 23.199 2.011 0.619 0.535 0.929 0.714 CB 1.401 29 residues pruned to eliminate duplicates Z: 29 19.991 2.058 0.492 0.442 0.964 0.571 CB 1.354 29 residues pruned to eliminate duplicates Z: 31 17.673 1.960 0.417 0.469 0.933 0.600 CB 1.285 31 residues pruned to eliminate duplicates Z: 21 11.751 1.909 0.400 0.433 0.950 0.600 CB 1.109 21 residues pruned to eliminate duplicates Z: 33 21.974 1.956 0.581 0.492 0.969 0.500 CB 1.306 33 residues pruned to eliminate duplicates Z: 31 20.251 1.997 0.467 0.490 0.933 0.633 CB 1.365 31 residues pruned to eliminate duplicates Z: 28 21.283 2.038 0.523 0.518 0.926 0.741 CB 1.400 28 residues pruned to eliminate duplicates Z: 27 19.757 2.051 0.542 0.474 0.923 0.654 CB 1.362 27 residues pruned to eliminate duplicates Z: 27 17.066 1.999 0.391 0.447 0.923 0.538 CB 1.377 27 residues pruned to eliminate duplicates Z: 25 19.486 1.931 0.550 0.532 0.917 0.750 CB 1.406 25 residues pruned to eliminate duplicates Z: 16 9.183 1.778 0.585 0.385 0.800 0.533 CB 1.189 16 residues pruned to eliminate duplicates Z: 8 6.960 1.625 0.335 0.555 1.000 0.571 CA 1.149 8 residues pruned to eliminate duplicates Z: 6 5.062 1.482 0.135 0.622 1.000 0.600 CB 1.199 6 residues pruned to eliminate duplicates 8 1.629 1.333 0.149 0.454 0.571 0.429 CB 0.738 ? Z: 7 7.465 1.736 0.220 0.597 1.000 0.500 N 1.312 8 residues pruned to eliminate duplicates Z: 9 2.006 1.733 0.045 0.110 0.625 0.250 CB 1.027 9 residues pruned to eliminate duplicates Z: 8 2.701 1.816 0.346 0.267 0.714 0.286 CB 0.763 8 residues pruned to eliminate duplicates Z: 8 4.196 1.909 0.135 0.220 0.714 0.571 CB 1.423 8 residues pruned to eliminate duplicates Z: 9 2.550 1.829 0.025 0.114 0.625 0.375 CB 1.252 8 residues pruned to eliminate duplicates Z: 7 9.311 1.899 0.432 0.511 1.000 0.500 CB 1.383 8 residues pruned to eliminate duplicates Z: 19 22.836 1.989 0.798 0.876 1.000 0.722 CA 1.094 19 residues pruned to eliminate duplicates Z: 7 8.007 2.119 0.292 0.515 0.833 0.167 CB 1.412 7 residues pruned to eliminate duplicates Z: 18 17.880 2.052 0.614 0.811 0.882 0.706 CA 1.131 18 residues pruned to eliminate duplicates Z: 17 22.791 2.139 0.690 0.804 1.000 0.688 CA 1.209 17 residues pruned to eliminate duplicates Z: 20 21.918 1.973 0.662 0.843 1.000 0.684 CA 1.142 20 residues pruned to eliminate duplicates Z: 17 23.366 2.135 0.600 0.872 1.000 0.812 CA 1.246 17 residues pruned to eliminate duplicates Z: 17 25.191 2.124 0.791 0.864 1.000 0.750 CA 1.214 17 residues pruned to eliminate duplicates Z: 19 18.405 1.982 0.759 0.774 0.889 0.556 CA 1.098 19 residues pruned to eliminate duplicates Z: 17 26.059 2.105 0.821 0.860 1.000 0.562 CA 1.249 17 residues pruned to eliminate duplicates Z: 16 25.216 2.154 0.764 0.855 1.000 0.600 CA 1.265 16 residues pruned to eliminate duplicates Z: 19 24.578 2.011 0.768 0.872 1.000 0.833 CA 1.188 19 residues pruned to eliminate duplicates Z: 17 27.005 2.103 0.831 0.847 1.000 0.625 CA 1.302 17 residues pruned to eliminate duplicates Z: 21 18.911 1.897 0.732 0.803 0.950 0.550 CA 1.040 21 residues pruned to eliminate duplicates Z: 18 16.922 2.003 0.716 0.784 0.824 0.471 CA 1.129 18 residues pruned to eliminate duplicates Z: 9 19.403 2.000 0.958 0.710 1.000 0.750 CB 1.448 10 residues pruned to eliminate duplicates Z: 6 2.769 1.463 0.287 0.281 0.800 0.400 CA 1.052 6 residues pruned to eliminate duplicates Z: 8 7.041 1.740 0.253 0.482 0.857 0.571 CB 1.449 8 residues pruned to eliminate duplicates Z: 10 6.893 1.588 0.415 0.394 0.889 0.444 N 1.287 10 residues pruned to eliminate duplicates Z: 9 11.179 1.777 0.477 0.516 1.000 0.625 CB 1.483 9 residues pruned to eliminate duplicates Z: 10 7.164 1.721 0.266 0.432 0.778 0.444 CA 1.513 10 residues pruned to eliminate duplicates Z: 9 6.167 1.938 0.249 0.462 0.750 0.750 CB 1.248 9 residues pruned to eliminate duplicates Z: 8 8.455 1.939 0.163 0.569 0.857 0.857 CB 1.545 8 residues pruned to eliminate duplicates Z: 11 6.550 1.864 0.228 0.405 0.900 0.700 CB 1.111 11 residues pruned to eliminate duplicates Z: 9 6.205 1.914 0.163 0.493 0.750 0.750 CA 1.323 9 residues pruned to eliminate duplicates Z: 11 5.653 1.849 0.216 0.417 0.800 0.600 CB 1.084 11 residues pruned to eliminate duplicates Z: 8 8.653 2.014 0.206 0.570 0.857 0.714 CA 1.468 10 residues pruned to eliminate duplicates Z: 7 9.101 1.444 0.745 0.695 1.000 1.000 CA 1.234 7 residues pruned to eliminate duplicates Z: 12 13.166 1.704 0.420 0.619 1.000 0.909 CA 1.465 12 residues pruned to eliminate duplicates Z: 19 9.708 1.763 0.364 0.347 0.889 0.444 CB 1.263 19 residues pruned to eliminate duplicates Z: 11 8.237 1.725 0.313 0.397 1.000 0.600 CB 1.282 11 residues pruned to eliminate duplicates Z: 11 8.729 1.731 0.306 0.414 0.900 0.500 CB 1.485 11 residues pruned to eliminate duplicates Z: 10 10.346 1.874 0.278 0.554 0.889 0.667 CB 1.537 10 residues pruned to eliminate duplicates Z: 6 7.179 1.616 0.541 0.818 1.000 0.600 CB 0.978 6 residues pruned to eliminate duplicates Z: 18 7.873 1.956 0.136 0.318 0.824 0.412 CB 1.276 18 residues pruned to eliminate duplicates Z: 23 11.689 2.013 0.393 0.313 0.818 0.500 CB 1.336 23 residues pruned to eliminate duplicates Z: 15 7.071 2.038 0.135 0.313 0.786 0.429 CB 1.279 15 residues pruned to eliminate duplicates Z: 23 10.451 1.992 0.466 0.256 0.727 0.409 CB 1.388 23 residues pruned to eliminate duplicates Z: 17 9.235 2.060 0.174 0.333 0.812 0.500 CB 1.411 17 residues pruned to eliminate duplicates Z: 19 10.172 1.983 0.381 0.343 0.778 0.444 CA 1.336 19 residues pruned to eliminate duplicates Z: 10 3.226 1.915 0.248 0.256 0.556 0.333 CB 1.070 10 residues pruned to eliminate duplicates Z: 23 12.097 2.011 0.494 0.384 0.682 0.409 CA 1.424 22 residues pruned to eliminate duplicates Z: 8 3.262 1.341 0.789 0.323 0.857 0.143 CA 0.729 8 residues pruned to eliminate duplicates Z: 10 6.910 1.842 0.281 0.396 0.778 0.333 CA 1.401 10 residues pruned to eliminate duplicates Z: 6 4.313 1.611 0.349 0.283 1.000 0.600 N 1.133 6 residues pruned to eliminate duplicates Z: 25 15.290 1.936 0.563 0.440 0.792 0.542 CA 1.386 25 residues pruned to eliminate duplicates Z: 25 18.162 1.915 0.611 0.463 0.917 0.542 CA 1.361 25 residues pruned to eliminate duplicates Z: 19 14.847 1.951 0.514 0.523 0.833 0.556 CA 1.389 19 residues pruned to eliminate duplicates Z: 23 16.677 1.967 0.640 0.483 0.773 0.500 CA 1.451 23 residues pruned to eliminate duplicates Z: 16 16.319 2.008 0.500 0.540 0.933 0.667 CB 1.440 16 residues pruned to eliminate duplicates Z: 20 19.131 2.052 0.476 0.596 0.895 0.632 CB 1.478 20 residues pruned to eliminate duplicates Z: 23 19.034 1.974 0.659 0.512 0.818 0.591 CA 1.497 23 residues pruned to eliminate duplicates Z: 20 22.228 2.060 0.758 0.558 0.947 0.684 CB 1.404 20 residues pruned to eliminate duplicates Z: 19 15.573 1.983 0.474 0.545 0.944 0.611 CA 1.273 19 residues pruned to eliminate duplicates Z: 17 22.328 2.163 0.706 0.603 0.938 0.688 CA 1.463 17 residues pruned to eliminate duplicates Z: 24 17.754 1.951 0.626 0.453 0.913 0.609 CB 1.342 24 residues pruned to eliminate duplicates Z: 20 22.767 2.092 0.584 0.567 0.947 0.632 CA 1.558 20 residues pruned to eliminate duplicates Z: 9 3.506 1.616 0.577 0.186 0.625 0.250 C 1.134 9 residues pruned to eliminate duplicates Z: 22 17.589 1.940 0.452 0.507 0.952 0.571 CA 1.421 22 residues pruned to eliminate duplicates Z: 7 3.998 1.783 0.638 0.083 0.667 0.333 CB 1.437 3 residues pruned to eliminate duplicates Z: 13 14.483 1.917 0.729 0.608 0.833 0.583 CA 1.366 13 residues pruned to eliminate duplicates Z: 8 4.547 1.704 0.687 0.338 0.714 0.286 CB 0.998 8 residues pruned to eliminate duplicates Z: 11 6.412 1.585 0.862 0.287 0.800 0.300 CA 1.092 9 residues pruned to eliminate duplicates Z: 7 3.941 1.699 0.343 0.415 0.833 0.667 CA 0.925 7 residues pruned to eliminate duplicates Z: 13 7.083 1.755 0.261 0.436 0.833 0.333 CB 1.185 13 residues pruned to eliminate duplicates Z: 13 4.648 1.640 0.309 0.368 0.750 0.583 CB 0.960 13 residues pruned to eliminate duplicates Z: 9 10.777 1.981 0.451 0.526 0.875 0.875 CB 1.476 9 residues pruned to eliminate duplicates Z: 12 7.621 1.723 0.213 0.436 1.000 0.545 CB 1.175 12 residues pruned to eliminate duplicates Z: 12 9.442 1.733 0.350 0.489 0.909 0.636 CB 1.353 12 residues pruned to eliminate duplicates Z: 12 8.604 1.815 0.407 0.435 0.818 0.455 CA 1.327 12 residues pruned to eliminate duplicates Z: 32 21.011 1.994 0.485 0.475 0.935 0.677 CB 1.397 32 residues pruned to eliminate duplicates Z: 25 19.691 2.064 0.381 0.521 0.958 0.667 CB 1.441 25 residues pruned to eliminate duplicates Z: 31 18.961 1.983 0.449 0.469 0.967 0.600 CB 1.286 31 residues pruned to eliminate duplicates Z: 31 20.104 1.948 0.454 0.493 0.967 0.600 CB 1.350 31 residues pruned to eliminate duplicates Z: 26 18.950 1.951 0.691 0.501 0.880 0.640 CB 1.304 26 residues pruned to eliminate duplicates Z: 29 18.637 2.005 0.382 0.479 0.964 0.536 CB 1.347 29 residues pruned to eliminate duplicates Z: 30 18.715 2.043 0.477 0.446 0.862 0.655 CB 1.413 30 residues pruned to eliminate duplicates Z: 11 16.700 1.820 0.857 0.722 1.000 0.600 CB 1.279 11 residues pruned to eliminate duplicates Z: 29 20.651 2.050 0.532 0.488 0.893 0.607 CB 1.409 29 residues pruned to eliminate duplicates Z: 6 5.182 1.777 0.498 0.498 0.800 0.600 CB 1.090 6 residues pruned to eliminate duplicates Z: 6 2.633 1.885 0.063 0.334 0.600 0.400 CA 1.174 6 residues pruned to eliminate duplicates Z: 8 4.948 1.701 0.255 0.440 0.857 0.571 CB 1.088 8 residues pruned to eliminate duplicates Z: 9 3.996 1.675 0.113 0.426 0.875 0.125 CA 0.935 9 residues pruned to eliminate duplicates Z: 8 5.149 1.713 0.143 0.516 0.857 0.429 CA 1.141 8 residues pruned to eliminate duplicates Z: 16 9.479 1.992 0.671 0.252 0.800 0.400 CB 1.222 15 residues pruned to eliminate duplicates Z: 6 7.445 1.817 1.179 0.337 1.000 0.000 CA 1.004 8 residues pruned to eliminate duplicates Z: 6 2.700 1.483 0.346 0.349 0.800 0.400 CA 0.890 6 residues pruned to eliminate duplicates Z: 14 8.420 2.048 0.329 0.294 0.846 0.538 CA 1.277 14 residues pruned to eliminate duplicates Z: 26 21.640 2.190 0.581 0.413 0.920 0.480 CB 1.487 26 residues pruned to eliminate duplicates Z: 26 20.755 2.186 0.656 0.454 0.840 0.480 CB 1.431 26 residues pruned to eliminate duplicates Z: 21 20.469 2.207 0.493 0.481 0.900 0.600 CB 1.574 21 residues pruned to eliminate duplicates Z: 27 20.459 2.087 0.618 0.448 0.885 0.654 CB 1.416 27 residues pruned to eliminate duplicates Z: 25 22.838 2.185 0.634 0.464 0.875 0.542 CA 1.548 25 residues pruned to eliminate duplicates Z: 20 22.694 2.200 0.563 0.497 0.947 0.632 CA 1.604 20 residues pruned to eliminate duplicates Z: 26 21.785 2.175 0.648 0.416 0.880 0.560 CA 1.507 26 residues pruned to eliminate duplicates Z: 6 2.274 1.708 0.981 0.171 0.600 0.400 CB 0.746 6 residues pruned to eliminate duplicates Z: 26 25.023 2.207 0.659 0.459 0.920 0.600 CB 1.548 26 residues pruned to eliminate duplicates Z: 7 4.299 1.538 0.656 0.292 0.833 0.500 CA 1.044 7 residues pruned to eliminate duplicates Z: 27 26.378 2.141 0.891 0.484 0.846 0.577 CB 1.535 27 residues pruned to eliminate duplicates Z: 27 22.220 2.174 0.604 0.445 0.885 0.577 CB 1.494 26 residues pruned to eliminate duplicates Z: 7 4.549 1.775 0.133 0.412 0.833 0.333 CA 1.215 7 residues pruned to eliminate duplicates Z: 26 24.278 2.190 0.655 0.437 0.920 0.520 CA 1.554 27 residues pruned to eliminate duplicates Z: 10 11.154 1.827 0.628 0.583 0.889 0.333 CA 1.300 10 residues pruned to eliminate duplicates Z: 29 25.438 2.089 0.739 0.432 0.929 0.500 CA 1.529 26 residues pruned to eliminate duplicates Z: 8 11.397 1.822 0.462 0.831 1.000 0.571 CA 1.214 Z: 8 13.902 1.805 1.026 0.796 0.857 0.286 CB 1.294 8 residues pruned to eliminate duplicates Z: 6 5.529 1.981 0.387 0.347 0.800 0.600 CA 1.327 6 residues pruned to eliminate duplicates Z: 21 17.716 2.040 0.887 0.313 0.850 0.400 CA 1.489 21 residues pruned to eliminate duplicates Z: 22 13.883 2.015 0.740 0.313 0.857 0.429 CA 1.241 22 residues pruned to eliminate duplicates Z: 27 15.493 1.908 0.768 0.342 0.846 0.538 CA 1.265 24 residues pruned to eliminate duplicates Z: 39 22.765 1.981 0.641 0.393 0.947 0.553 CA 1.342 39 residues pruned to eliminate duplicates Z: 14 10.390 1.936 0.766 0.367 0.769 0.462 CA 1.263 14 residues pruned to eliminate duplicates Z: 21 14.063 1.993 0.792 0.379 0.850 0.600 CA 1.178 21 residues pruned to eliminate duplicates Z: 23 14.605 1.973 0.848 0.319 0.818 0.500 CA 1.274 23 residues pruned to eliminate duplicates Z: 21 19.429 2.095 0.881 0.366 0.900 0.550 CA 1.415 21 residues pruned to eliminate duplicates Z: 36 32.556 2.115 0.749 0.521 0.914 0.686 CA 1.594 36 residues pruned to eliminate duplicates Z: 14 13.982 1.962 0.678 0.388 0.923 0.462 CA 1.437 14 residues pruned to eliminate duplicates Z: 23 19.178 1.994 0.889 0.407 0.818 0.636 CA 1.463 23 residues pruned to eliminate duplicates Z: 26 14.746 1.842 0.901 0.292 0.800 0.480 CA 1.330 26 residues pruned to eliminate duplicates Z: 11 15.019 1.903 0.778 0.675 1.000 0.700 CB 1.194 12 residues pruned to eliminate duplicates Z: 7 5.794 1.494 0.886 0.455 0.833 0.667 C 1.055 7 residues pruned to eliminate duplicates Z: 12 12.431 1.850 0.721 0.614 0.909 0.545 CB 1.162 11 residues pruned to eliminate duplicates Z: 7 4.987 1.576 0.630 0.453 0.833 0.500 CA 0.998 7 residues pruned to eliminate duplicates Z: 11 17.762 1.935 0.891 0.722 0.900 0.600 CB 1.396 12 residues pruned to eliminate duplicates Z: 7 5.260 1.457 0.538 0.408 1.000 0.833 CB 1.056 7 residues pruned to eliminate duplicates Z: 8 10.573 1.610 0.599 0.719 1.000 0.857 CB 1.273 9 residues pruned to eliminate duplicates Z: 7 11.345 1.818 0.491 0.731 1.000 1.000 N 1.388 7 residues pruned to eliminate duplicates Z: 8 4.963 1.944 -0.085 0.338 0.857 0.714 CB 1.468 15 residues pruned to eliminate duplicates Z: 6 5.793 1.676 0.381 0.362 1.000 0.400 CB 1.297 6 residues pruned to eliminate duplicates Z: 20 14.031 1.872 0.711 0.454 0.895 0.579 CB 1.177 20 residues pruned to eliminate duplicates Z: 20 16.046 1.944 0.702 0.489 0.947 0.526 CB 1.188 20 residues pruned to eliminate duplicates Z: 12 12.711 1.893 0.807 0.468 0.818 0.455 CB 1.414 12 residues pruned to eliminate duplicates Z: 11 13.084 1.992 1.029 0.455 0.900 0.600 CA 1.192 11 residues pruned to eliminate duplicates Z: 23 17.035 1.839 0.851 0.479 0.909 0.727 CB 1.199 24 residues pruned to eliminate duplicates Z: 7 11.051 1.682 0.818 0.630 1.000 0.667 CB 1.306 7 residues pruned to eliminate duplicates Z: 33 35.804 2.186 0.614 0.712 0.969 0.688 CA 1.529 33 residues pruned to eliminate duplicates Z: 33 34.367 2.138 0.545 0.689 1.000 0.688 CA 1.547 33 residues pruned to eliminate duplicates Z: 32 35.824 2.224 0.647 0.696 0.968 0.710 CA 1.517 32 residues pruned to eliminate duplicates Z: 25 23.017 2.170 0.506 0.592 0.917 0.625 CA 1.436 25 residues pruned to eliminate duplicates Z: 32 36.413 2.183 0.605 0.740 0.968 0.742 CB 1.556 32 residues pruned to eliminate duplicates Z: 33 34.311 2.172 0.596 0.669 0.969 0.719 CA 1.544 33 residues pruned to eliminate duplicates Z: 29 37.065 2.235 0.520 0.803 1.000 0.893 CB 1.582 29 residues pruned to eliminate duplicates Z: 32 37.050 2.222 0.644 0.719 0.935 0.742 CA 1.596 32 residues pruned to eliminate duplicates Z: 25 28.136 2.145 0.792 0.624 0.917 0.708 CB 1.450 25 residues pruned to eliminate duplicates Z: 35 32.583 2.124 0.592 0.657 0.941 0.735 CA 1.517 35 residues pruned to eliminate duplicates Z: 32 35.469 2.210 0.633 0.672 0.968 0.710 CA 1.557 32 residues pruned to eliminate duplicates Z: 30 31.646 2.123 0.611 0.604 0.931 0.724 CB 1.671 30 residues pruned to eliminate duplicates Z: 29 34.893 2.193 0.566 0.737 1.000 0.857 CA 1.552 29 residues pruned to eliminate duplicates Z: 32 35.529 2.188 0.646 0.700 0.935 0.742 CA 1.579 32 residues pruned to eliminate duplicates Z: 31 36.447 2.236 0.667 0.735 0.933 0.767 CA 1.549 31 residues pruned to eliminate duplicates Z: 31 39.997 2.238 0.748 0.717 0.967 0.767 CA 1.587 31 residues pruned to eliminate duplicates Z: 31 37.887 2.210 0.674 0.714 0.967 0.633 CA 1.594 31 residues pruned to eliminate duplicates Z: 32 40.966 2.224 0.728 0.703 0.968 0.710 CA 1.644 32 residues pruned to eliminate duplicates Z: 30 35.896 2.233 0.638 0.713 0.966 0.655 CA 1.557 30 residues pruned to eliminate duplicates Z: 32 37.067 2.217 0.736 0.685 0.903 0.484 CA 1.616 32 residues pruned to eliminate duplicates Z: 32 36.064 2.202 0.740 0.680 0.903 0.677 CA 1.586 32 residues pruned to eliminate duplicates Z: 30 41.507 2.245 0.658 0.786 1.000 0.759 CA 1.611 30 residues pruned to eliminate duplicates Z: 32 41.535 2.217 0.689 0.727 1.000 0.516 CA 1.625 32 residues pruned to eliminate duplicates Z: 30 41.938 2.249 0.875 0.741 0.931 0.448 CA 1.597 30 residues pruned to eliminate duplicates Z: 30 44.499 2.239 0.877 0.768 0.966 0.586 CB 1.607 30 residues pruned to eliminate duplicates Z: 31 42.763 2.242 0.853 0.722 0.933 0.700 CA 1.648 31 residues pruned to eliminate duplicates Z: 30 37.637 2.223 0.705 0.720 0.966 0.552 CA 1.565 30 residues pruned to eliminate duplicates Z: 30 37.988 2.215 0.740 0.743 0.966 0.724 CA 1.525 30 residues pruned to eliminate duplicates Z: 31 42.274 2.232 0.763 0.756 0.967 0.600 CA 1.616 31 residues pruned to eliminate duplicates Z: 30 39.398 2.198 0.792 0.752 0.966 0.586 CA 1.537 30 residues pruned to eliminate duplicates Z: 31 18.610 1.874 0.843 0.555 0.900 0.567 CB 1.036 32 residues pruned to eliminate duplicates Z: 7 3.324 1.285 1.055 0.400 1.000 0.500 N 0.570 7 residues pruned to eliminate duplicates Z: 14 12.253 1.926 0.614 0.567 0.923 0.692 CB 1.110 12 residues pruned to eliminate duplicates Z: 6 5.124 1.629 0.299 0.455 1.000 0.400 CB 1.134 6 residues pruned to eliminate duplicates Z: 9 7.606 1.934 0.107 0.437 0.875 0.500 CA 1.531 9 residues pruned to eliminate duplicates Z: 12 8.795 1.886 0.129 0.410 0.909 0.545 CA 1.505 12 residues pruned to eliminate duplicates Z: 12 6.853 1.639 0.059 0.473 1.000 0.545 CA 1.224 12 residues pruned to eliminate duplicates Z: 10 6.922 1.894 0.056 0.337 0.889 0.222 CB 1.549 10 residues pruned to eliminate duplicates Z: 11 8.296 1.781 0.016 0.458 1.000 0.500 CA 1.513 11 residues pruned to eliminate duplicates Z: 13 10.664 1.814 0.621 0.508 0.833 0.667 CB 1.247 13 residues pruned to eliminate duplicates Z: 13 11.465 1.820 0.821 0.520 0.833 0.667 CB 1.175 12 residues pruned to eliminate duplicates 629 residues left after pruning, divided into chains as follows: A: 9 B: 7 C: 9 D: 8 E: 33 F: 6 G: 7 H: 7 I: 20 J: 13 K: 10 L: 9 M: 28 N: 11 O: 23 P: 18 Q: 6 R: 7 S: 16 T: 6 U: 19 V: 8 W: 10 X: 12 Y: 13 Z: 25 Z: 35 Z: 39 Z: 52 Z: 56 Z: 10 Z: 25 Z: 65 Z: 7 CC for partial structure against native data = 22.76 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.391, Connect. = 0.683 for dens.mod. cycle 1 = 0.300, Contrast = 0.454, Connect. = 0.707 for dens.mod. cycle 2 = 0.300, Contrast = 0.534, Connect. = 0.742 for dens.mod. cycle 3 = 0.300, Contrast = 0.544, Connect. = 0.747 for dens.mod. cycle 4 = 0.300, Contrast = 0.553, Connect. = 0.751 for dens.mod. cycle 5 = 0.300, Contrast = 0.558, Connect. = 0.754 for dens.mod. cycle 6 = 0.300, Contrast = 0.563, Connect. = 0.757 for dens.mod. cycle 7 = 0.300, Contrast = 0.566, Connect. = 0.759 for dens.mod. cycle 8 = 0.300, Contrast = 0.568, Connect. = 0.761 for dens.mod. cycle 9 = 0.300, Contrast = 0.569, Connect. = 0.762 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6397 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1245 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 34 23.602 2.030 0.529 0.479 0.939 0.667 CB 1.440 B: 22 27.124 2.098 0.190 0.912 1.000 0.952 CB 1.678 C: 18 21.233 2.170 0.318 0.921 0.941 0.765 CB 1.347 18 residues pruned to eliminate duplicates D: 10 16.076 2.068 0.906 0.667 0.889 0.667 CB 1.310 E: 22 35.987 2.233 0.510 0.888 1.000 0.714 CB 1.678 F: 20 36.825 2.144 0.769 0.928 1.000 0.895 CB 1.560 22 residues pruned to eliminate duplicates G: 19 32.762 2.213 0.567 0.934 1.000 0.833 CB 1.553 19 residues pruned to eliminate duplicates H: 10 11.780 2.056 0.154 0.783 0.889 0.778 CB 1.452 9 residues pruned to eliminate duplicates I: 22 30.822 2.215 0.342 0.931 1.000 0.810 CB 1.582 22 residues pruned to eliminate duplicates J: 20 25.692 2.089 0.398 0.916 1.000 0.789 CB 1.425 K: 18 27.342 2.210 0.468 0.856 0.941 0.882 CB 1.602 18 residues pruned to eliminate duplicates L: 21 32.384 2.181 0.640 0.883 0.950 0.900 CA 1.541 21 residues pruned to eliminate duplicates M: 21 34.314 2.176 0.609 0.909 1.000 0.900 CB 1.556 21 residues pruned to eliminate duplicates N: 22 36.760 2.104 0.604 0.915 1.000 0.857 CB 1.679 22 residues pruned to eliminate duplicates O: 21 35.232 2.181 0.715 0.923 1.000 0.900 CB 1.480 21 residues pruned to eliminate duplicates P: 22 37.873 2.275 0.533 0.933 1.000 0.857 CB 1.653 22 residues pruned to eliminate duplicates Q: 32 20.504 2.030 0.441 0.483 0.903 0.613 CB 1.417 32 residues pruned to eliminate duplicates R: 23 26.506 2.013 0.406 0.834 1.000 0.636 CB 1.497 23 residues pruned to eliminate duplicates S: 18 12.750 2.000 0.545 0.318 0.941 0.412 CB 1.300 T: 19 22.228 2.071 0.544 0.924 0.944 0.778 CA 1.218 U: 21 33.387 2.160 0.538 0.901 1.000 0.900 CA 1.605 21 residues pruned to eliminate duplicates V: 21 30.886 2.194 0.547 0.907 0.950 0.900 CA 1.523 21 residues pruned to eliminate duplicates W: 18 27.309 2.232 0.343 0.882 1.000 0.824 CB 1.599 18 residues pruned to eliminate duplicates X: 21 31.285 2.197 0.470 0.915 1.000 0.700 CA 1.530 21 residues pruned to eliminate duplicates Y: 8 6.115 1.744 0.614 0.334 0.857 0.571 CB 1.148 Z: 19 21.607 2.063 0.591 0.905 0.944 0.778 CA 1.170 19 residues pruned to eliminate duplicates Z: 21 19.565 2.119 0.225 0.904 0.950 0.800 CB 1.263 21 residues pruned to eliminate duplicates Z: 11 17.099 1.947 1.088 0.710 0.900 0.800 CB 1.221 Z: 24 13.053 2.054 0.566 0.405 0.913 0.522 CB 1.024 Z: 7 3.707 1.601 0.287 0.367 0.667 0.500 CA 1.270 Z: 10 10.903 1.694 0.619 0.892 1.000 0.889 CB 0.952 Z: 10 10.539 2.119 0.517 0.859 0.889 0.667 CB 0.905 Z: 20 31.428 2.160 0.634 0.917 1.000 0.842 CB 1.442 19 residues pruned to eliminate duplicates Z: 22 40.038 2.114 0.808 0.924 1.000 0.857 CB 1.605 22 residues pruned to eliminate duplicates Z: 10 15.214 2.402 0.028 0.829 1.000 0.667 CB 1.545 10 residues pruned to eliminate duplicates Z: 22 41.593 2.239 0.825 0.916 1.000 0.571 CB 1.569 22 residues pruned to eliminate duplicates Z: 20 26.123 1.998 0.716 0.904 1.000 0.526 CA 1.244 19 residues pruned to eliminate duplicates Z: 21 42.395 2.358 0.675 0.917 1.000 0.750 CB 1.695 22 residues pruned to eliminate duplicates Z: 13 13.620 1.892 0.593 0.600 1.000 0.583 CB 1.186 12 residues pruned to eliminate duplicates Z: 15 12.186 2.069 0.892 0.405 0.929 0.643 CB 0.990 14 residues pruned to eliminate duplicates Z: 21 36.084 2.300 0.544 0.911 1.000 0.700 CB 1.610 21 residues pruned to eliminate duplicates Z: 19 8.715 1.947 0.528 0.268 0.722 0.444 CB 1.244 Z: 18 9.556 2.012 0.253 0.436 0.824 0.412 CB 1.192 15 residues pruned to eliminate duplicates Z: 11 7.148 1.711 0.321 0.413 0.800 0.500 CB 1.370 Z: 10 18.720 1.870 0.855 0.869 1.000 0.778 CA 1.314 Z: 20 31.774 2.180 0.617 0.913 1.000 0.842 CA 1.464 19 residues pruned to eliminate duplicates Z: 14 19.292 2.006 0.596 0.898 0.923 0.538 CB 1.294 14 residues pruned to eliminate duplicates Z: 21 36.891 2.289 0.617 0.906 1.000 0.700 CB 1.585 21 residues pruned to eliminate duplicates Z: 36 21.854 1.964 0.532 0.451 0.971 0.600 CB 1.328 36 residues pruned to eliminate duplicates Z: 18 20.233 2.125 0.510 0.581 0.882 0.765 CA 1.603 13 residues pruned to eliminate duplicates Z: 33 18.568 2.036 0.507 0.292 0.906 0.469 CA 1.490 Z: 24 13.575 1.955 0.469 0.402 0.783 0.652 CA 1.396 24 residues pruned to eliminate duplicates Z: 20 21.221 2.120 0.660 0.538 0.947 0.421 CB 1.406 Z: 24 17.412 2.148 0.836 0.388 0.870 0.435 CB 1.192 24 residues pruned to eliminate duplicates Z: 23 15.211 1.981 0.471 0.343 0.955 0.545 CA 1.383 21 residues pruned to eliminate duplicates Z: 17 16.486 2.001 0.618 0.404 0.875 0.562 CB 1.609 9 residues pruned to eliminate duplicates Z: 9 5.276 1.787 -0.013 0.479 0.875 0.625 CB 1.235 Z: 12 7.440 1.848 0.199 0.401 0.818 0.727 CA 1.374 12 residues pruned to eliminate duplicates Z: 38 24.165 1.979 0.596 0.442 0.919 0.676 CB 1.452 35 residues pruned to eliminate duplicates Z: 21 44.571 2.361 0.784 0.940 1.000 0.800 CB 1.643 21 residues pruned to eliminate duplicates Z: 11 11.516 1.928 0.550 0.526 0.900 0.600 CB 1.320 9 residues pruned to eliminate duplicates Z: 27 25.222 2.167 0.866 0.361 0.923 0.500 CB 1.539 24 residues pruned to eliminate duplicates Z: 9 9.034 2.166 0.096 0.869 0.875 0.625 CB 1.123 9 residues pruned to eliminate duplicates Z: 21 23.778 2.130 0.433 0.874 0.950 0.750 CB 1.334 21 residues pruned to eliminate duplicates Z: 7 7.561 1.760 0.497 0.444 1.000 0.667 CA 1.240 Z: 30 24.760 2.027 0.703 0.498 0.897 0.621 CA 1.489 25 residues pruned to eliminate duplicates Z: 18 29.963 2.117 0.782 0.924 1.000 0.647 CA 1.353 19 residues pruned to eliminate duplicates Z: 33 19.689 1.994 0.372 0.447 0.938 0.562 CB 1.434 33 residues pruned to eliminate duplicates Z: 21 46.541 2.354 0.810 0.945 1.000 0.700 CB 1.690 21 residues pruned to eliminate duplicates Z: 22 28.653 2.142 0.476 0.890 1.000 0.857 CB 1.423 22 residues pruned to eliminate duplicates Z: 6 6.749 1.588 0.801 0.815 0.800 0.800 CA 1.003 Z: 9 7.674 1.909 0.413 0.645 0.875 0.625 CB 1.004 Z: 23 37.777 2.081 0.791 0.917 1.000 0.818 CB 1.525 22 residues pruned to eliminate duplicates Z: 7 4.358 1.711 0.043 0.620 1.000 0.667 CB 0.890 Z: 15 22.920 2.163 0.426 0.861 0.929 0.714 CB 1.572 15 residues pruned to eliminate duplicates Z: 6 6.023 1.742 1.062 0.644 1.000 0.800 CB 0.655 Z: 30 37.948 2.257 0.634 0.758 1.000 0.862 CA 1.518 30 residues pruned to eliminate duplicates Z: 7 7.895 1.919 0.279 0.505 0.833 0.667 C 1.568 Z: 13 4.756 1.723 0.369 0.166 0.750 0.417 CB 1.165 Z: 18 30.906 2.237 0.663 0.915 0.941 0.706 CB 1.514 18 residues pruned to eliminate duplicates Z: 21 15.950 1.891 0.659 0.539 0.800 0.600 CB 1.368 21 residues pruned to eliminate duplicates Z: 6 3.983 1.796 0.798 0.451 0.800 0.600 CB 0.725 Z: 7 10.783 2.020 0.570 0.558 0.833 0.667 CA 1.574 7 residues pruned to eliminate duplicates Z: 16 25.034 2.197 0.641 0.935 0.933 0.867 CA 1.338 16 residues pruned to eliminate duplicates Z: 7 4.252 1.677 0.174 0.383 0.833 0.500 CB 1.198 Z: 28 18.356 1.974 0.747 0.359 0.815 0.593 CA 1.463 24 residues pruned to eliminate duplicates Z: 11 9.583 1.653 0.447 0.380 1.000 0.600 CA 1.439 Z: 24 25.810 2.101 0.719 0.571 1.000 0.565 CB 1.392 22 residues pruned to eliminate duplicates Z: 16 12.397 1.779 0.404 0.457 0.933 0.400 C 1.435 6 residues pruned to eliminate duplicates Z: 20 37.790 2.212 0.873 0.917 0.947 0.684 CA 1.560 20 residues pruned to eliminate duplicates Z: 11 6.845 2.045 0.387 0.492 0.800 0.600 CB 0.962 Z: 11 16.867 1.899 0.816 0.679 1.000 0.900 CB 1.312 11 residues pruned to eliminate duplicates Z: 23 29.787 2.054 0.491 0.899 1.000 0.727 CB 1.483 23 residues pruned to eliminate duplicates Z: 8 10.300 1.723 0.616 0.641 0.857 0.714 N 1.430 Z: 17 21.902 2.096 0.592 0.875 0.938 0.688 CA 1.272 17 residues pruned to eliminate duplicates Z: 12 11.528 1.931 0.462 0.435 0.818 0.455 CA 1.608 14 residues pruned to eliminate duplicates Z: 19 10.366 1.856 0.422 0.376 0.889 0.500 CB 1.189 19 residues pruned to eliminate duplicates Z: 14 11.974 1.992 0.456 0.522 0.846 0.538 CA 1.325 14 residues pruned to eliminate duplicates Z: 18 22.600 2.040 0.540 0.901 0.941 0.882 CA 1.323 18 residues pruned to eliminate duplicates Z: 19 21.911 2.084 0.422 0.922 0.944 0.611 CA 1.298 19 residues pruned to eliminate duplicates Z: 16 26.296 2.269 0.726 0.889 0.933 0.533 CB 1.338 16 residues pruned to eliminate duplicates Z: 16 10.530 1.839 0.508 0.402 0.933 0.600 CB 1.164 22 residues pruned to eliminate duplicates Z: 10 13.904 2.108 0.005 0.816 1.000 0.667 CB 1.663 10 residues pruned to eliminate duplicates Z: 11 11.440 1.706 0.864 0.479 1.000 0.700 CB 1.162 Z: 18 31.244 2.175 0.696 0.879 1.000 0.588 CB 1.489 18 residues pruned to eliminate duplicates Z: 35 21.009 2.050 0.590 0.414 0.853 0.471 CB 1.418 29 residues pruned to eliminate duplicates Z: 18 22.014 2.053 0.398 0.912 1.000 0.824 CA 1.317 18 residues pruned to eliminate duplicates Z: 21 33.526 2.284 0.613 0.914 0.950 0.700 CB 1.515 21 residues pruned to eliminate duplicates Z: 21 20.125 2.115 0.383 0.881 0.900 0.750 CB 1.238 21 residues pruned to eliminate duplicates Z: 21 37.149 2.151 0.876 0.918 0.950 0.550 CB 1.529 21 residues pruned to eliminate duplicates Z: 10 16.929 1.814 0.663 0.876 1.000 0.778 CA 1.359 10 residues pruned to eliminate duplicates Z: 16 36.002 2.173 1.049 0.927 0.933 0.600 CB 1.568 16 residues pruned to eliminate duplicates Z: 13 8.698 1.641 1.276 0.342 0.583 0.417 CB 1.369 17 residues pruned to eliminate duplicates Z: 31 11.995 1.862 0.298 0.337 0.867 0.533 CB 1.250 26 residues pruned to eliminate duplicates Z: 15 10.739 1.792 0.337 0.512 0.786 0.500 C 1.506 15 residues pruned to eliminate duplicates Z: 30 15.362 1.980 0.518 0.397 0.793 0.483 CB 1.333 Z: 21 39.286 2.340 0.827 0.919 0.900 0.600 CB 1.608 21 residues pruned to eliminate duplicates Z: 23 20.784 2.093 0.631 0.568 0.909 0.682 CB 1.337 20 residues pruned to eliminate duplicates Z: 23 11.686 1.776 0.471 0.489 0.773 0.682 CB 1.248 16 residues pruned to eliminate duplicates Z: 7 5.011 1.666 0.422 0.569 0.833 0.500 CA 0.969 7 residues pruned to eliminate duplicates Z: 11 9.886 2.053 0.205 0.529 0.900 0.800 CB 1.365 14 residues pruned to eliminate duplicates Z: 14 12.779 2.084 0.607 0.479 0.923 0.615 CB 1.170 14 residues pruned to eliminate duplicates Z: 23 14.733 1.999 0.580 0.448 0.864 0.545 CB 1.215 23 residues pruned to eliminate duplicates Z: 11 7.684 1.804 0.329 0.487 0.900 0.600 CB 1.141 11 residues pruned to eliminate duplicates Z: 9 9.127 1.758 0.357 0.506 0.875 0.625 C 1.536 9 residues pruned to eliminate duplicates Z: 18 24.980 2.079 0.594 0.927 1.000 0.824 CA 1.282 18 residues pruned to eliminate duplicates Z: 15 7.966 1.779 0.631 0.307 0.857 0.500 CB 1.061 Z: 21 37.838 2.306 0.663 0.894 1.000 0.850 CB 1.583 21 residues pruned to eliminate duplicates Z: 33 21.989 2.028 0.455 0.495 0.875 0.656 CB 1.513 33 residues pruned to eliminate duplicates Z: 8 2.826 1.557 0.365 0.303 0.571 0.286 CA 1.096 Z: 20 44.458 2.236 1.064 0.948 1.000 0.895 CB 1.526 22 residues pruned to eliminate duplicates Z: 24 12.523 1.849 0.454 0.432 0.870 0.522 CA 1.198 24 residues pruned to eliminate duplicates Z: 23 34.056 2.083 0.616 0.902 1.000 0.682 CB 1.539 23 residues pruned to eliminate duplicates Z: 21 34.625 2.254 0.551 0.917 1.000 0.850 CB 1.563 21 residues pruned to eliminate duplicates Z: 22 33.983 2.219 0.478 0.916 1.000 0.952 CA 1.596 22 residues pruned to eliminate duplicates Z: 34 20.947 2.001 0.501 0.457 0.848 0.576 CA 1.495 34 residues pruned to eliminate duplicates Z: 10 12.058 1.930 0.775 0.635 0.889 0.778 CB 1.163 10 residues pruned to eliminate duplicates Z: 9 6.999 1.789 0.266 0.593 0.750 0.625 N 1.332 7 residues pruned to eliminate duplicates Z: 22 24.090 2.025 0.367 0.839 1.000 0.619 CB 1.418 22 residues pruned to eliminate duplicates Z: 6 2.163 1.555 0.025 0.299 0.800 0.600 CB 0.949 Z: 9 12.536 1.778 0.638 0.529 1.000 0.625 CB 1.478 11 residues pruned to eliminate duplicates Z: 24 18.240 2.045 0.509 0.528 0.913 0.609 CB 1.313 24 residues pruned to eliminate duplicates Z: 10 8.216 1.843 0.249 0.369 1.000 0.889 CB 1.368 11 residues pruned to eliminate duplicates Z: 10 9.445 1.793 0.386 0.572 0.889 0.556 CB 1.330 Z: 15 13.176 1.975 0.364 0.477 0.929 0.571 CB 1.441 16 residues pruned to eliminate duplicates Z: 23 19.293 2.137 0.790 0.354 0.909 0.545 CB 1.386 34 residues pruned to eliminate duplicates Z: 18 9.720 1.815 0.180 0.390 0.941 0.471 CA 1.313 Z: 21 33.986 2.309 0.480 0.936 1.000 1.000 CB 1.549 21 residues pruned to eliminate duplicates Z: 22 36.531 2.118 0.695 0.907 1.000 0.762 CB 1.578 22 residues pruned to eliminate duplicates Z: 21 13.671 1.893 0.429 0.436 0.850 0.500 CB 1.422 23 residues pruned to eliminate duplicates Z: 21 21.302 2.119 0.532 0.575 0.850 0.600 CB 1.607 21 residues pruned to eliminate duplicates Z: 12 7.743 1.614 0.307 0.436 0.909 0.545 C 1.301 10 residues pruned to eliminate duplicates Z: 7 3.704 1.514 0.091 0.610 0.833 0.667 CB 0.990 7 residues pruned to eliminate duplicates Z: 8 5.898 1.849 0.361 0.239 0.714 0.286 CB 1.679 8 residues pruned to eliminate duplicates Z: 10 7.004 1.677 0.430 0.497 0.778 0.444 CA 1.255 6 residues pruned to eliminate duplicates Z: 27 21.048 2.061 0.663 0.382 0.885 0.615 CB 1.544 32 residues pruned to eliminate duplicates Z: 18 24.916 2.210 0.673 0.882 0.882 0.706 CB 1.340 18 residues pruned to eliminate duplicates Z: 11 8.453 1.865 0.337 0.590 0.800 0.700 CB 1.229 11 residues pruned to eliminate duplicates Z: 14 9.422 1.853 0.201 0.463 0.923 0.462 CB 1.321 15 residues pruned to eliminate duplicates Z: 25 19.221 2.071 0.757 0.383 0.833 0.583 CA 1.465 25 residues pruned to eliminate duplicates Z: 24 23.801 2.239 0.722 0.405 0.913 0.565 CA 1.557 24 residues pruned to eliminate duplicates Z: 30 9.688 1.767 0.215 0.378 0.897 0.448 CB 1.065 17 residues pruned to eliminate duplicates Z: 24 10.814 1.885 0.169 0.421 0.957 0.652 CB 1.161 27 residues pruned to eliminate duplicates Z: 18 10.389 1.984 0.439 0.338 0.882 0.412 CB 1.193 18 residues pruned to eliminate duplicates Z: 22 11.154 1.986 0.411 0.307 0.857 0.429 CB 1.257 19 residues pruned to eliminate duplicates Z: 7 5.938 1.660 0.722 0.513 0.667 0.500 CB 1.255 7 residues pruned to eliminate duplicates Z: 67 43.058 2.149 0.724 0.577 0.939 0.561 CB 1.415 58 residues pruned to eliminate duplicates Z: 13 9.260 1.909 0.587 0.411 0.750 0.583 CA 1.292 13 residues pruned to eliminate duplicates Z: 15 15.147 2.016 0.670 0.513 0.857 0.714 CA 1.384 15 residues pruned to eliminate duplicates Z: 21 14.992 1.955 0.753 0.596 0.900 0.350 CB 0.992 21 residues pruned to eliminate duplicates Z: 22 45.258 2.268 0.981 0.924 1.000 0.429 CB 1.544 22 residues pruned to eliminate duplicates Z: 12 12.913 1.973 0.638 0.597 0.909 0.818 CA 1.207 12 residues pruned to eliminate duplicates Z: 11 9.552 1.752 0.856 0.629 0.900 0.700 CB 0.914 Z: 26 25.647 2.076 0.783 0.470 0.960 0.520 CB 1.488 27 residues pruned to eliminate duplicates Z: 8 6.929 1.897 0.576 0.447 0.714 0.429 N 1.296 Z: 22 30.505 2.071 0.427 0.902 1.000 0.810 CA 1.607 22 residues pruned to eliminate duplicates Z: 19 14.718 2.022 0.369 0.516 0.889 0.611 CB 1.388 19 residues pruned to eliminate duplicates Z: 7 2.642 1.988 0.211 0.414 0.500 0.500 CB 0.980 Z: 36 26.510 2.086 0.891 0.514 0.943 0.457 CB 1.188 36 residues pruned to eliminate duplicates Z: 9 9.742 1.964 0.453 0.694 1.000 0.750 CB 1.011 8 residues pruned to eliminate duplicates Z: 17 9.144 1.740 0.408 0.287 0.938 0.500 C 1.265 Z: 17 11.615 1.987 0.311 0.381 0.938 0.438 CB 1.350 17 residues pruned to eliminate duplicates Z: 20 25.477 2.181 0.812 0.841 0.842 0.579 CB 1.310 20 residues pruned to eliminate duplicates Z: 18 9.690 1.684 0.409 0.417 0.882 0.706 CA 1.225 Z: 24 23.885 2.173 0.866 0.391 0.913 0.435 CA 1.509 24 residues pruned to eliminate duplicates Z: 11 12.667 1.971 0.399 0.870 1.000 0.800 CB 1.061 11 residues pruned to eliminate duplicates Z: 20 26.218 2.163 0.423 0.907 1.000 0.789 CB 1.389 20 residues pruned to eliminate duplicates Z: 10 2.554 1.638 -0.006 0.448 0.667 0.444 CB 0.827 Z: 15 8.545 1.949 0.717 0.388 0.786 0.643 CB 0.979 11 residues pruned to eliminate duplicates Z: 23 33.572 2.057 0.740 0.912 1.000 0.773 CB 1.417 23 residues pruned to eliminate duplicates Z: 27 20.135 2.106 0.696 0.329 0.846 0.462 CB 1.577 27 residues pruned to eliminate duplicates Z: 8 13.459 1.827 0.960 0.602 0.857 0.714 CB 1.503 9 residues pruned to eliminate duplicates Z: 10 13.810 1.927 0.693 0.632 0.889 0.778 CB 1.402 Z: 7 4.694 1.819 -0.087 0.534 0.833 0.500 CB 1.339 7 residues pruned to eliminate duplicates Z: 21 43.599 2.325 0.849 0.935 0.950 0.800 CB 1.663 21 residues pruned to eliminate duplicates Z: 15 7.791 1.925 0.175 0.390 0.786 0.571 CB 1.317 15 residues pruned to eliminate duplicates Z: 7 6.341 1.876 0.115 0.595 0.833 0.833 CB 1.357 9 residues pruned to eliminate duplicates Z: 22 22.217 1.928 0.580 0.841 0.905 0.762 CB 1.312 22 residues pruned to eliminate duplicates Z: 8 10.335 1.855 0.513 0.480 1.000 0.857 N 1.420 7 residues pruned to eliminate duplicates Z: 22 28.817 2.069 0.798 0.850 0.905 0.619 CB 1.383 22 residues pruned to eliminate duplicates Z: 12 15.952 2.004 0.625 0.544 1.000 0.727 CA 1.415 11 residues pruned to eliminate duplicates Z: 19 32.534 2.281 0.456 0.928 1.000 0.944 CA 1.616 19 residues pruned to eliminate duplicates Z: 6 7.719 1.919 0.364 0.647 0.800 0.600 CB 1.438 Z: 20 19.568 2.048 0.804 0.515 0.895 0.579 CB 1.338 20 residues pruned to eliminate duplicates Z: 20 26.409 2.165 0.400 0.924 1.000 1.000 CB 1.404 21 residues pruned to eliminate duplicates Z: 13 8.720 1.679 0.251 0.465 1.000 0.583 CB 1.241 12 residues pruned to eliminate duplicates Z: 26 12.235 1.802 0.688 0.327 0.840 0.520 CB 1.158 19 residues pruned to eliminate duplicates Z: 19 19.368 2.005 0.303 0.904 1.000 0.889 CA 1.244 19 residues pruned to eliminate duplicates Z: 10 13.477 2.038 0.727 0.487 0.889 0.667 CA 1.455 10 residues pruned to eliminate duplicates Z: 33 23.966 2.062 0.485 0.509 0.906 0.688 CB 1.512 33 residues pruned to eliminate duplicates Z: 7 5.772 2.056 0.061 0.448 0.833 0.667 CB 1.368 7 residues pruned to eliminate duplicates Z: 13 7.705 1.867 0.677 0.387 0.667 0.417 CA 1.201 Z: 34 34.339 2.063 0.661 0.697 0.970 0.727 CA 1.503 35 residues pruned to eliminate duplicates Z: 22 39.343 2.272 0.691 0.936 1.000 0.619 CB 1.556 22 residues pruned to eliminate duplicates Z: 57 40.883 2.158 0.713 0.598 0.946 0.536 CB 1.422 57 residues pruned to eliminate duplicates Z: 24 17.089 1.948 0.522 0.452 0.870 0.478 CB 1.452 24 residues pruned to eliminate duplicates Z: 9 3.998 1.586 0.241 0.288 0.750 0.500 N 1.216 14 residues pruned to eliminate duplicates Z: 19 12.486 1.774 0.500 0.546 0.889 0.611 CB 1.190 15 residues pruned to eliminate duplicates Z: 8 16.450 1.786 0.983 0.911 1.000 0.714 CA 1.245 Z: 21 30.315 2.040 0.938 0.863 1.000 0.350 CB 1.258 20 residues pruned to eliminate duplicates Z: 22 11.799 1.897 0.595 0.301 0.857 0.476 CB 1.240 20 residues pruned to eliminate duplicates Z: 8 2.674 1.521 0.022 0.278 0.714 0.286 N 1.170 8 residues pruned to eliminate duplicates Z: 8 3.849 1.583 0.548 0.569 0.714 0.571 CB 0.778 8 residues pruned to eliminate duplicates Z: 15 6.074 1.893 0.241 0.262 0.786 0.357 CB 1.155 15 residues pruned to eliminate duplicates Z: 10 12.116 1.825 0.463 0.563 1.000 0.778 CA 1.423 9 residues pruned to eliminate duplicates Z: 9 6.176 1.669 0.317 0.342 0.875 0.500 CB 1.349 9 residues pruned to eliminate duplicates Z: 11 10.493 2.206 0.528 0.347 0.800 0.300 CB 1.454 11 residues pruned to eliminate duplicates Z: 6 4.892 1.547 0.787 0.483 0.800 0.600 CB 1.007 6 residues pruned to eliminate duplicates Z: 12 12.607 1.748 0.593 0.526 1.000 0.727 CB 1.330 10 residues pruned to eliminate duplicates Z: 31 34.256 2.226 0.469 0.736 1.000 0.767 CA 1.547 31 residues pruned to eliminate duplicates Z: 7 13.709 2.045 0.372 0.782 1.000 0.833 CA 1.556 8 residues pruned to eliminate duplicates Z: 8 9.414 1.598 0.783 0.836 1.000 0.714 CA 0.935 9 residues pruned to eliminate duplicates Z: 17 10.860 1.875 0.186 0.479 0.938 0.625 CB 1.331 15 residues pruned to eliminate duplicates Z: 12 7.573 1.611 0.271 0.354 0.909 0.455 N 1.436 12 residues pruned to eliminate duplicates Z: 13 6.992 1.534 0.669 0.420 0.750 0.417 O 1.142 11 residues pruned to eliminate duplicates Z: 9 16.410 2.085 0.676 0.614 0.875 0.750 C 1.702 23 residues pruned to eliminate duplicates Z: 22 34.125 2.215 0.601 0.925 1.000 0.952 CB 1.474 22 residues pruned to eliminate duplicates Z: 27 11.741 1.888 0.462 0.343 0.769 0.500 CB 1.287 25 residues pruned to eliminate duplicates Z: 11 2.936 1.279 0.447 0.258 0.800 0.300 CA 0.827 Z: 11 9.281 1.655 1.080 0.502 0.800 0.600 CB 1.064 Z: 10 11.844 1.708 0.763 0.908 1.000 0.778 CB 0.931 10 residues pruned to eliminate duplicates Z: 9 20.809 2.180 0.966 0.646 1.000 0.750 CB 1.498 9 residues pruned to eliminate duplicates Z: 17 8.757 1.805 0.693 0.419 0.812 0.500 CB 0.960 Z: 22 10.770 1.918 0.635 0.304 0.762 0.571 CB 1.223 19 residues pruned to eliminate duplicates Z: 21 8.279 1.944 0.152 0.405 0.800 0.450 CB 1.141 21 residues pruned to eliminate duplicates Z: 9 7.580 1.650 0.572 0.561 0.875 0.625 CB 1.113 9 residues pruned to eliminate duplicates Z: 8 3.476 1.508 0.195 0.431 1.000 0.714 N 0.783 Z: 13 11.243 1.574 0.894 0.635 1.000 0.833 CB 0.959 16 residues pruned to eliminate duplicates Z: 7 5.460 1.748 0.417 0.601 0.667 0.500 N 1.225 7 residues pruned to eliminate duplicates Z: 23 15.342 1.958 0.504 0.330 0.864 0.500 CB 1.551 23 residues pruned to eliminate duplicates Z: 6 4.306 1.539 0.320 0.468 0.800 0.600 O 1.224 Z: 6 5.819 1.778 0.200 0.587 1.000 0.600 N 1.122 Z: 7 17.373 1.968 1.042 0.777 1.000 0.833 CA 1.382 12 residues pruned to eliminate duplicates Z: 22 31.583 2.060 0.729 0.862 0.952 0.667 CB 1.491 22 residues pruned to eliminate duplicates Z: 7 4.340 1.988 0.193 0.783 0.833 0.667 CB 0.699 7 residues pruned to eliminate duplicates Z: 10 16.702 1.976 0.871 0.632 0.889 0.667 CA 1.497 13 residues pruned to eliminate duplicates Z: 9 5.881 1.695 0.792 0.428 0.875 0.625 CB 0.843 9 residues pruned to eliminate duplicates Z: 7 5.039 1.712 0.247 0.389 0.833 0.667 CA 1.301 7 residues pruned to eliminate duplicates Z: 15 7.539 1.755 0.098 0.463 0.929 0.643 CA 1.169 15 residues pruned to eliminate duplicates Z: 7 6.276 1.496 0.546 0.765 0.833 0.333 CA 1.051 8 residues pruned to eliminate duplicates Z: 7 10.773 1.802 0.605 0.795 1.000 0.667 CA 1.174 7 residues pruned to eliminate duplicates Z: 42 21.516 2.110 0.326 0.448 0.854 0.707 CA 1.484 42 residues pruned to eliminate duplicates Z: 9 12.709 1.728 0.712 0.919 1.000 1.000 CA 1.070 9 residues pruned to eliminate duplicates Z: 6 6.417 1.599 0.881 0.533 0.800 0.600 CB 1.154 6 residues pruned to eliminate duplicates Z: 8 5.780 1.877 0.346 0.637 0.714 0.571 CB 1.065 8 residues pruned to eliminate duplicates Z: 6 3.774 1.780 -0.081 0.448 0.800 0.400 C 1.360 6 residues pruned to eliminate duplicates Z: 28 22.691 2.065 0.641 0.471 0.926 0.556 CB 1.433 28 residues pruned to eliminate duplicates Z: 8 3.488 1.563 0.031 0.460 0.857 0.429 CB 0.995 Z: 11 14.454 1.970 0.706 0.640 0.900 0.700 CB 1.325 11 residues pruned to eliminate duplicates Z: 17 5.238 1.952 0.068 0.412 0.688 0.312 CB 1.001 17 residues pruned to eliminate duplicates Z: 19 28.936 2.230 0.659 0.897 0.944 0.667 CB 1.397 19 residues pruned to eliminate duplicates Z: 16 8.643 1.832 0.314 0.589 0.733 0.667 CB 1.160 16 residues pruned to eliminate duplicates Z: 7 6.565 1.696 0.376 0.586 0.833 0.333 N 1.270 7 residues pruned to eliminate duplicates Z: 7 8.724 1.731 0.580 0.614 0.833 0.833 C 1.403 8 residues pruned to eliminate duplicates Z: 20 18.782 2.107 0.735 0.538 0.895 0.632 CB 1.269 20 residues pruned to eliminate duplicates Z: 8 11.362 1.999 0.700 0.734 1.000 0.857 CB 1.024 8 residues pruned to eliminate duplicates Z: 9 5.164 1.849 0.326 0.473 0.750 0.750 CB 1.020 9 residues pruned to eliminate duplicates Z: 33 19.602 1.956 0.453 0.466 0.875 0.531 CA 1.441 33 residues pruned to eliminate duplicates Z: 19 34.770 2.165 0.874 0.934 1.000 0.500 CB 1.408 20 residues pruned to eliminate duplicates Z: 19 28.254 2.082 0.511 0.899 1.000 0.833 CB 1.513 19 residues pruned to eliminate duplicates Z: 6 7.519 1.816 1.353 0.653 1.000 0.600 CB 0.683 6 residues pruned to eliminate duplicates Z: 8 5.616 1.606 0.356 0.389 0.857 0.429 CB 1.279 8 residues pruned to eliminate duplicates Z: 14 9.660 1.775 0.345 0.424 0.923 0.692 CB 1.316 14 residues pruned to eliminate duplicates Z: 11 4.070 1.540 0.229 0.323 0.700 0.600 O 1.181 Z: 12 7.681 1.323 0.546 0.802 0.909 0.545 CA 0.956 11 residues pruned to eliminate duplicates Z: 8 8.308 1.782 0.380 0.734 0.857 0.857 CB 1.207 8 residues pruned to eliminate duplicates Z: 11 5.253 1.627 0.532 0.362 0.700 0.500 CB 1.105 11 residues pruned to eliminate duplicates 6 1.257 1.511 -0.179 0.298 0.600 0.600 CB 0.947 ? Z: 10 11.484 2.053 0.392 0.558 0.889 0.444 CB 1.423 10 residues pruned to eliminate duplicates Z: 8 2.686 1.605 -0.119 0.349 0.857 0.286 CA 0.986 8 residues pruned to eliminate duplicates Z: 24 24.235 2.107 0.784 0.418 0.913 0.522 CB 1.604 24 residues pruned to eliminate duplicates Z: 10 11.238 2.046 0.549 0.600 0.889 0.667 CB 1.209 10 residues pruned to eliminate duplicates Z: 10 4.866 1.774 0.328 0.329 0.667 0.444 CB 1.246 10 residues pruned to eliminate duplicates Z: 12 8.274 1.964 0.392 0.300 0.818 0.364 CB 1.395 12 residues pruned to eliminate duplicates Z: 8 2.909 1.628 0.068 0.341 0.714 0.429 CB 1.052 7 residues pruned to eliminate duplicates Z: 8 3.869 1.536 -0.057 0.520 1.000 0.571 CB 0.990 8 residues pruned to eliminate duplicates Z: 21 36.663 2.264 0.648 0.923 1.000 0.600 CB 1.544 21 residues pruned to eliminate duplicates Z: 18 14.549 1.917 0.600 0.437 0.941 0.471 CA 1.305 18 residues pruned to eliminate duplicates Z: 11 14.431 1.637 0.802 0.814 1.000 0.800 CA 1.177 11 residues pruned to eliminate duplicates Z: 7 4.222 1.474 -0.162 0.656 1.000 0.667 O 1.207 Z: 35 21.859 1.975 0.508 0.424 0.971 0.618 CB 1.404 35 residues pruned to eliminate duplicates Z: 10 5.918 1.687 0.020 0.442 1.000 0.556 CB 1.217 Z: 6 5.213 1.564 0.281 0.617 1.000 0.600 CA 1.041 6 residues pruned to eliminate duplicates Z: 11 7.941 1.815 0.692 0.460 0.700 0.600 CA 1.217 11 residues pruned to eliminate duplicates Z: 37 30.219 2.130 0.523 0.621 0.972 0.639 CB 1.425 35 residues pruned to eliminate duplicates Z: 9 15.557 2.103 0.508 0.743 0.875 0.625 CB 1.595 9 residues pruned to eliminate duplicates Z: 20 9.809 1.774 0.434 0.496 0.737 0.474 CB 1.205 20 residues pruned to eliminate duplicates Z: 15 24.254 2.238 0.489 0.905 1.000 0.857 CB 1.384 15 residues pruned to eliminate duplicates Z: 12 15.289 2.013 0.590 0.766 0.909 0.636 CB 1.252 12 residues pruned to eliminate duplicates Z: 32 27.624 2.062 0.526 0.692 0.935 0.677 CB 1.413 32 residues pruned to eliminate duplicates Z: 14 8.353 1.814 0.288 0.334 0.923 0.538 CA 1.288 14 residues pruned to eliminate duplicates Z: 23 41.631 2.065 0.954 0.930 1.000 0.682 CB 1.539 21 residues pruned to eliminate duplicates Z: 8 14.484 1.837 0.762 0.868 1.000 1.000 CA 1.236 8 residues pruned to eliminate duplicates Z: 11 13.920 1.926 0.675 0.564 1.000 0.700 CB 1.282 11 residues pruned to eliminate duplicates Z: 6 3.813 1.859 0.647 0.319 0.800 0.600 CA 0.851 6 residues pruned to eliminate duplicates Z: 10 3.317 1.527 0.473 0.333 0.667 0.444 CB 0.886 10 residues pruned to eliminate duplicates Z: 24 30.970 2.170 0.689 0.652 0.913 0.783 CB 1.675 24 residues pruned to eliminate duplicates Z: 8 6.702 1.768 0.471 0.466 0.857 0.857 N 1.176 9 residues pruned to eliminate duplicates Z: 6 2.492 1.587 0.576 0.354 0.800 0.600 CB 0.652 Z: 22 44.035 2.256 1.028 0.928 1.000 0.667 CB 1.471 22 residues pruned to eliminate duplicates Z: 6 5.440 1.983 0.263 0.447 0.800 0.400 CB 1.283 6 residues pruned to eliminate duplicates Z: 36 13.357 1.819 0.775 0.281 0.686 0.457 CB 1.306 44 residues pruned to eliminate duplicates Z: 33 11.383 1.803 0.137 0.396 0.906 0.562 CB 1.209 33 residues pruned to eliminate duplicates Z: 7 7.360 1.877 -0.040 0.658 1.000 0.833 CB 1.439 6 residues pruned to eliminate duplicates Z: 15 6.204 1.590 0.142 0.301 0.857 0.500 CB 1.330 15 residues pruned to eliminate duplicates Z: 23 26.089 1.976 0.516 0.861 1.000 0.818 CB 1.364 23 residues pruned to eliminate duplicates Z: 6 3.107 1.593 -0.193 0.619 0.800 0.800 CB 1.207 Z: 7 2.754 1.467 -0.309 0.647 0.833 0.833 N 1.159 7 residues pruned to eliminate duplicates Z: 9 12.624 1.752 1.027 0.575 1.000 0.750 CB 1.169 9 residues pruned to eliminate duplicates Z: 12 11.742 1.824 0.756 0.676 0.818 0.727 CB 1.149 12 residues pruned to eliminate duplicates Z: 22 31.043 2.067 0.471 0.895 1.000 0.857 CA 1.598 22 residues pruned to eliminate duplicates Z: 7 5.052 1.637 0.239 0.403 1.000 0.500 CA 1.126 7 residues pruned to eliminate duplicates Z: 12 10.419 1.962 0.426 0.393 1.000 0.636 CB 1.257 12 residues pruned to eliminate duplicates Z: 7 6.586 1.531 0.412 0.623 0.833 0.333 C 1.330 7 residues pruned to eliminate duplicates Z: 24 14.823 1.813 0.434 0.437 0.957 0.522 CA 1.326 22 residues pruned to eliminate duplicates Z: 6 7.125 1.802 0.443 0.629 1.000 0.600 CB 1.085 6 residues pruned to eliminate duplicates Z: 15 11.865 1.735 0.904 0.474 0.857 0.714 CB 1.150 15 residues pruned to eliminate duplicates Z: 8 4.223 1.666 0.162 0.533 0.857 0.714 CB 0.931 8 residues pruned to eliminate duplicates Z: 18 22.545 2.110 0.694 0.586 0.882 0.706 CA 1.595 18 residues pruned to eliminate duplicates Z: 9 4.790 1.590 0.029 0.564 1.000 0.500 C 0.972 Z: 6 7.066 1.821 0.110 0.685 1.000 0.800 CA 1.320 7 residues pruned to eliminate duplicates Z: 10 9.403 1.763 0.794 0.509 0.778 0.556 CA 1.263 10 residues pruned to eliminate duplicates Z: 7 4.183 1.769 0.049 0.420 0.833 0.500 CB 1.200 Z: 35 18.893 1.955 0.179 0.542 0.912 0.706 CB 1.479 35 residues pruned to eliminate duplicates Z: 10 12.368 1.850 0.475 0.581 0.889 0.667 CB 1.571 16 residues pruned to eliminate duplicates Z: 10 11.021 2.077 0.618 0.658 0.889 0.778 CB 1.062 10 residues pruned to eliminate duplicates Z: 18 27.080 2.076 0.723 0.914 0.941 0.471 CA 1.380 18 residues pruned to eliminate duplicates Z: 8 6.247 1.808 0.723 0.620 0.571 0.429 CB 1.184 Z: 17 9.546 1.857 0.814 0.392 0.812 0.625 CB 0.978 6 residues pruned to eliminate duplicates Z: 35 23.325 1.974 0.502 0.480 0.971 0.706 CB 1.418 35 residues pruned to eliminate duplicates Z: 15 8.692 1.612 0.432 0.530 0.929 0.714 CA 1.052 11 residues pruned to eliminate duplicates Z: 7 7.704 1.792 0.651 0.642 0.833 0.833 CB 1.116 7 residues pruned to eliminate duplicates Z: 27 10.390 1.785 0.155 0.429 0.885 0.462 CB 1.202 27 residues pruned to eliminate duplicates Z: 21 17.224 2.042 0.515 0.503 0.800 0.650 CA 1.552 21 residues pruned to eliminate duplicates Z: 32 37.822 2.197 0.618 0.734 1.000 0.871 CA 1.548 30 residues pruned to eliminate duplicates Z: 10 10.232 1.684 0.750 0.394 0.889 0.667 N 1.456 7 residues pruned to eliminate duplicates Z: 8 8.528 1.751 0.247 0.642 1.000 1.000 CA 1.293 8 residues pruned to eliminate duplicates Z: 22 44.446 2.118 0.889 0.917 1.000 0.857 CA 1.710 22 residues pruned to eliminate duplicates Z: 8 9.461 2.020 0.315 0.697 1.000 0.714 CB 1.125 8 residues pruned to eliminate duplicates Z: 17 10.800 1.698 0.389 0.449 0.875 0.625 CB 1.378 17 residues pruned to eliminate duplicates Z: 6 6.323 1.522 0.354 0.758 1.000 0.600 CA 1.091 6 residues pruned to eliminate duplicates Z: 16 18.458 2.074 0.948 0.397 0.933 0.600 CB 1.409 16 residues pruned to eliminate duplicates Z: 7 9.555 1.896 0.875 0.733 0.833 0.667 CB 1.068 9 residues pruned to eliminate duplicates Z: 6 4.488 1.516 0.822 0.458 0.800 0.600 CA 0.948 6 residues pruned to eliminate duplicates Z: 8 6.187 1.322 0.471 0.825 1.000 0.857 CA 0.908 Z: 13 7.202 1.595 0.361 0.535 0.750 0.583 CB 1.234 Z: 8 14.910 1.968 0.587 0.672 1.000 0.714 CA 1.539 9 residues pruned to eliminate duplicates Z: 12 6.036 1.860 0.534 0.469 0.818 0.727 CB 0.804 12 residues pruned to eliminate duplicates Z: 32 19.148 1.958 0.430 0.438 0.903 0.677 CB 1.450 32 residues pruned to eliminate duplicates Z: 34 21.868 1.993 0.516 0.453 0.879 0.636 CA 1.505 34 residues pruned to eliminate duplicates Z: 21 18.529 2.114 0.477 0.425 0.950 0.450 CA 1.510 Z: 21 24.334 2.148 0.472 0.831 0.900 0.800 CA 1.437 21 residues pruned to eliminate duplicates 6 1.454 1.385 0.080 0.404 0.800 0.400 CB 0.601 ? Z: 6 2.233 1.674 0.179 0.100 0.800 0.200 CB 1.054 Z: 26 13.247 1.841 0.329 0.446 0.960 0.640 CB 1.193 26 residues pruned to eliminate duplicates Z: 7 4.137 1.624 0.348 0.249 0.833 0.500 N 1.235 Z: 9 15.644 2.122 0.722 0.554 1.000 0.625 CB 1.437 9 residues pruned to eliminate duplicates Z: 10 7.984 1.874 0.578 0.302 0.889 0.556 CB 1.263 5 residues pruned to eliminate duplicates Z: 6 4.393 1.487 0.277 0.436 1.000 0.600 CA 1.106 Z: 9 7.409 1.437 0.398 0.899 1.000 0.875 CA 0.932 7 residues pruned to eliminate duplicates Z: 12 12.726 2.009 0.755 0.415 0.909 0.364 CB 1.308 12 residues pruned to eliminate duplicates Z: 16 4.760 1.528 0.303 0.322 0.667 0.533 CB 1.126 Z: 24 17.702 2.046 0.568 0.509 0.913 0.565 CB 1.249 24 residues pruned to eliminate duplicates Z: 7 10.477 1.822 0.798 0.800 0.833 0.833 CB 1.205 7 residues pruned to eliminate duplicates Z: 16 9.079 1.724 0.457 0.367 0.867 0.667 CB 1.243 16 residues pruned to eliminate duplicates Z: 20 7.420 1.755 0.130 0.349 0.895 0.526 CB 1.129 20 residues pruned to eliminate duplicates Z: 21 12.687 1.956 0.487 0.336 0.850 0.650 CB 1.372 22 residues pruned to eliminate duplicates Z: 11 5.866 1.665 0.167 0.265 1.000 0.300 CA 1.247 11 residues pruned to eliminate duplicates Z: 7 4.866 1.677 0.330 0.220 1.000 0.333 CA 1.238 7 residues pruned to eliminate duplicates Z: 11 3.555 1.487 0.241 0.407 0.800 0.600 CB 0.840 Z: 10 7.729 1.812 0.239 0.558 0.889 0.667 CA 1.221 10 residues pruned to eliminate duplicates Z: 12 6.683 1.860 0.299 0.372 0.909 0.364 CB 1.051 12 residues pruned to eliminate duplicates Z: 6 2.769 1.485 0.256 0.448 1.000 0.600 CB 0.701 Z: 6 5.874 1.828 0.592 0.478 0.800 0.800 N 1.154 6 residues pruned to eliminate duplicates Z: 10 7.214 1.770 0.665 0.463 0.778 0.556 CA 1.089 10 residues pruned to eliminate duplicates Z: 30 26.747 2.031 0.401 0.739 0.931 0.724 CA 1.513 30 residues pruned to eliminate duplicates 6 1.632 1.317 0.824 0.424 0.600 0.200 N 0.548 ? Z: 7 3.648 1.623 -0.109 0.501 1.000 0.667 N 1.028 4 residues pruned to eliminate duplicates Z: 8 9.421 1.795 0.399 0.704 0.857 0.857 N 1.374 9 residues pruned to eliminate duplicates Z: 25 24.304 2.221 0.664 0.419 0.917 0.625 CA 1.594 20 residues pruned to eliminate duplicates Z: 9 2.806 1.392 0.102 0.354 0.875 0.500 CB 0.865 Z: 6 3.155 1.518 0.020 0.479 1.000 0.800 C 0.930 6 residues pruned to eliminate duplicates Z: 16 8.538 1.959 0.266 0.392 0.867 0.533 CA 1.150 16 residues pruned to eliminate duplicates Z: 19 5.458 1.618 0.163 0.280 0.722 0.278 CB 1.213 19 residues pruned to eliminate duplicates Z: 6 3.192 1.370 0.386 0.298 1.000 0.400 CB 0.942 Z: 6 4.938 1.525 0.444 0.873 1.000 1.000 CA 0.730 6 residues pruned to eliminate duplicates Z: 7 9.823 1.618 0.794 0.855 0.833 0.833 CA 1.225 8 residues pruned to eliminate duplicates Z: 7 2.609 1.645 0.113 0.230 0.667 0.500 N 1.196 Z: 17 9.693 2.008 0.266 0.353 0.750 0.562 CA 1.490 17 residues pruned to eliminate duplicates Z: 34 23.105 1.991 0.571 0.471 0.909 0.636 CB 1.457 39 residues pruned to eliminate duplicates Z: 8 7.028 1.450 0.380 0.623 1.000 1.000 CA 1.182 Z: 32 20.080 2.064 0.434 0.472 0.903 0.677 CB 1.387 32 residues pruned to eliminate duplicates Z: 21 15.485 1.977 0.195 0.488 0.900 0.600 CA 1.649 28 residues pruned to eliminate duplicates Z: 7 12.208 1.985 0.679 0.596 1.000 0.667 CA 1.364 7 residues pruned to eliminate duplicates 6 1.955 1.453 -0.074 0.656 0.800 0.800 CB 0.703 ? Z: 8 12.016 1.926 1.039 0.464 0.857 0.714 CB 1.400 8 residues pruned to eliminate duplicates Z: 9 3.338 1.366 0.014 0.361 0.875 0.750 CB 1.132 5 residues pruned to eliminate duplicates Z: 6 5.937 1.778 0.123 0.561 1.000 0.600 CB 1.254 6 residues pruned to eliminate duplicates Z: 23 10.847 1.928 0.392 0.294 0.864 0.455 CB 1.257 23 residues pruned to eliminate duplicates Z: 8 9.251 1.676 0.513 0.792 1.000 0.857 CA 1.067 7 residues pruned to eliminate duplicates Z: 14 12.248 1.969 0.424 0.445 0.846 0.462 CA 1.516 14 residues pruned to eliminate duplicates Z: 9 3.935 1.249 0.299 0.487 0.875 0.500 CB 0.993 Z: 7 2.598 1.665 -0.163 0.541 0.667 0.500 CB 1.097 Z: 7 3.735 1.552 -0.095 0.644 1.000 0.833 CB 0.949 7 residues pruned to eliminate duplicates Z: 11 3.873 1.632 0.344 0.358 0.700 0.500 CB 0.930 Z: 8 6.731 2.008 0.185 0.830 1.000 1.000 CB 0.804 8 residues pruned to eliminate duplicates Z: 12 4.985 1.495 0.438 0.424 0.909 0.364 CB 0.833 Z: 6 3.757 1.587 0.177 0.256 1.000 0.600 N 1.189 Z: 25 15.962 1.978 0.609 0.540 0.833 0.625 CB 1.181 25 residues pruned to eliminate duplicates Z: 9 7.662 1.805 0.402 0.521 0.875 0.625 CB 1.198 9 residues pruned to eliminate duplicates Z: 11 9.347 1.770 0.397 0.624 1.000 0.900 CB 1.063 11 residues pruned to eliminate duplicates Z: 7 8.455 1.833 0.238 0.640 0.833 0.500 CA 1.602 6 residues pruned to eliminate duplicates Z: 9 7.976 1.880 0.306 0.695 1.000 0.875 CB 0.961 9 residues pruned to eliminate duplicates Z: 15 8.763 1.786 0.545 0.444 0.857 0.429 CB 1.049 12 residues pruned to eliminate duplicates Z: 28 29.297 2.063 0.580 0.630 0.926 0.704 CB 1.653 28 residues pruned to eliminate duplicates Z: 11 8.406 1.881 0.188 0.580 0.700 0.600 CB 1.573 11 residues pruned to eliminate duplicates Z: 8 3.104 1.366 -0.022 0.521 0.857 0.571 CB 1.003 Z: 11 7.815 1.860 0.106 0.489 0.800 0.600 CB 1.519 11 residues pruned to eliminate duplicates Z: 8 5.016 1.503 0.185 0.659 1.000 0.429 CB 0.919 Z: 32 11.446 1.936 0.428 0.314 0.774 0.516 CB 1.179 32 residues pruned to eliminate duplicates Z: 9 5.645 1.593 0.772 0.429 0.750 0.500 CA 1.015 9 residues pruned to eliminate duplicates Z: 29 48.896 2.243 0.964 0.750 1.000 0.643 CB 1.678 29 residues pruned to eliminate duplicates Z: 9 3.736 1.730 0.065 0.312 0.875 0.625 CB 1.009 9 residues pruned to eliminate duplicates Z: 8 2.272 1.287 0.009 0.479 0.714 0.571 N 0.946 Z: 9 5.221 1.583 0.679 0.508 0.750 0.500 CB 0.919 Z: 6 3.253 1.632 0.314 0.399 0.800 0.600 CB 0.943 6 residues pruned to eliminate duplicates Z: 13 8.574 1.793 0.596 0.430 0.833 0.417 CB 1.116 13 residues pruned to eliminate duplicates Z: 6 3.493 1.561 0.055 0.458 0.800 0.400 O 1.239 Z: 9 12.326 2.021 0.730 0.648 0.875 0.625 CB 1.241 9 residues pruned to eliminate duplicates Z: 21 9.227 1.744 0.543 0.402 0.850 0.500 CB 1.000 16 residues pruned to eliminate duplicates Z: 6 2.505 1.615 0.380 0.441 0.600 0.600 CB 0.890 6 residues pruned to eliminate duplicates Z: 6 5.370 1.632 0.457 0.543 0.800 0.600 CB 1.210 Z: 17 2.085 1.607 0.328 0.243 0.562 0.250 CB 0.584 17 residues pruned to eliminate duplicates Z: 10 19.928 2.034 1.171 0.725 1.000 0.889 CB 1.228 14 residues pruned to eliminate duplicates Z: 13 5.626 1.839 0.267 0.236 0.667 0.417 CA 1.422 13 residues pruned to eliminate duplicates Z: 6 2.997 1.471 0.122 0.713 0.800 0.400 CA 0.836 Z: 12 5.453 1.533 0.583 0.277 0.909 0.545 CA 0.959 7 residues pruned to eliminate duplicates Z: 17 6.453 1.654 0.470 0.434 0.812 0.375 CB 0.874 17 residues pruned to eliminate duplicates Z: 7 7.981 1.536 0.825 0.798 0.833 0.667 CA 1.075 6 residues pruned to eliminate duplicates Z: 9 2.879 1.250 0.621 0.881 1.000 0.750 CB 0.364 Z: 22 13.889 1.940 0.458 0.444 0.857 0.619 CA 1.325 22 residues pruned to eliminate duplicates Z: 6 2.807 1.658 0.055 0.363 1.000 0.400 CB 0.832 6 residues pruned to eliminate duplicates Z: 20 9.147 1.763 0.314 0.393 0.842 0.474 CB 1.205 20 residues pruned to eliminate duplicates Z: 12 16.743 1.998 0.462 0.727 1.000 0.636 CB 1.408 13 residues pruned to eliminate duplicates Z: 12 7.394 1.667 0.397 0.449 0.727 0.455 N 1.387 12 residues pruned to eliminate duplicates Z: 8 12.075 1.805 0.849 0.607 0.857 0.857 CA 1.441 13 residues pruned to eliminate duplicates Z: 8 6.118 1.731 0.279 0.423 1.000 0.571 CB 1.132 Z: 17 9.514 1.962 0.422 0.307 0.875 0.625 CB 1.206 17 residues pruned to eliminate duplicates 8 1.663 1.607 0.107 0.132 0.571 0.286 CB 0.978 ? Z: 19 32.614 1.960 0.902 0.825 1.000 0.556 CB 1.556 19 residues pruned to eliminate duplicates Z: 6 9.272 1.842 0.480 0.854 1.000 1.000 CA 1.124 Z: 14 6.789 1.655 0.449 0.322 0.769 0.462 CA 1.242 14 residues pruned to eliminate duplicates Z: 10 10.303 1.786 0.358 0.472 1.000 0.667 CA 1.457 11 residues pruned to eliminate duplicates Z: 7 3.247 1.783 0.424 0.247 0.667 0.500 CB 1.049 7 residues pruned to eliminate duplicates Z: 15 8.560 1.893 0.397 0.321 0.786 0.571 CA 1.340 15 residues pruned to eliminate duplicates Z: 10 4.951 1.824 0.496 0.313 0.889 0.444 CB 0.837 Z: 9 5.795 1.523 0.776 0.484 0.875 0.500 CA 0.880 11 residues pruned to eliminate duplicates Z: 9 3.230 1.544 0.212 0.328 0.750 0.500 CB 0.982 Z: 6 2.294 1.644 0.197 0.285 0.600 0.600 CB 1.107 5 residues pruned to eliminate duplicates Z: 9 10.637 1.865 0.371 0.804 0.875 0.625 CA 1.289 9 residues pruned to eliminate duplicates Z: 18 30.086 1.943 0.939 0.858 1.000 0.824 CB 1.427 18 residues pruned to eliminate duplicates Z: 11 3.227 1.524 0.424 0.227 0.700 0.400 CA 0.924 Z: 21 29.287 2.101 0.583 0.909 0.900 0.600 CB 1.553 21 residues pruned to eliminate duplicates Z: 8 6.094 1.453 0.388 0.832 1.000 0.714 CA 0.857 8 residues pruned to eliminate duplicates Z: 22 8.526 1.669 0.309 0.477 0.810 0.524 CB 1.077 22 residues pruned to eliminate duplicates Z: 28 18.052 1.863 0.575 0.450 0.926 0.630 CB 1.346 26 residues pruned to eliminate duplicates Z: 8 2.992 1.410 -0.019 0.445 0.857 0.714 CB 1.009 8 residues pruned to eliminate duplicates Z: 6 2.293 1.225 0.539 0.479 1.000 0.800 CB 0.556 6 residues pruned to eliminate duplicates Z: 12 6.407 1.619 0.432 0.458 0.727 0.545 CA 1.196 12 residues pruned to eliminate duplicates Z: 22 9.877 1.766 0.305 0.401 0.762 0.524 CA 1.363 22 residues pruned to eliminate duplicates Z: 6 8.470 2.009 0.656 0.554 1.000 0.600 CA 1.080 6 residues pruned to eliminate duplicates Z: 25 9.854 1.738 0.625 0.263 0.792 0.500 CA 1.178 25 residues pruned to eliminate duplicates Z: 18 13.484 1.738 0.414 0.501 0.882 0.588 CB 1.507 18 residues pruned to eliminate duplicates Z: 21 11.626 1.684 0.632 0.408 0.800 0.600 CB 1.303 21 residues pruned to eliminate duplicates Z: 8 8.280 1.622 0.925 0.510 1.000 0.714 CA 0.993 6 residues pruned to eliminate duplicates Z: 15 10.951 1.894 0.684 0.446 0.786 0.500 CB 1.234 16 residues pruned to eliminate duplicates Z: 12 8.613 1.451 0.970 0.354 1.000 0.364 CA 1.064 9 residues pruned to eliminate duplicates 6 1.914 1.470 0.524 0.299 0.400 0.400 O 1.196 ? Z: 11 8.854 1.728 0.926 0.261 1.000 0.300 CB 1.106 11 residues pruned to eliminate duplicates Z: 7 5.004 1.487 -0.070 0.776 1.000 0.833 CB 1.157 Z: 7 5.773 1.700 -0.224 0.872 1.000 1.000 C 1.301 6 residues pruned to eliminate duplicates Z: 18 43.131 2.200 1.134 0.906 1.000 0.647 CB 1.586 18 residues pruned to eliminate duplicates Z: 7 4.634 1.547 0.034 0.539 1.000 0.667 CB 1.139 7 residues pruned to eliminate duplicates Z: 22 42.270 2.138 0.850 0.911 1.000 0.952 CB 1.653 22 residues pruned to eliminate duplicates Z: 26 17.923 1.942 0.798 0.377 0.840 0.560 CA 1.393 26 residues pruned to eliminate duplicates Z: 10 5.524 1.673 -0.010 0.543 0.889 0.667 CA 1.199 10 residues pruned to eliminate duplicates Z: 16 20.836 2.024 0.651 0.649 0.933 0.600 CB 1.502 15 residues pruned to eliminate duplicates Z: 16 7.958 1.804 0.237 0.338 0.867 0.533 CB 1.268 16 residues pruned to eliminate duplicates Z: 7 4.097 1.321 1.033 0.655 0.833 0.500 N 0.647 Z: 10 10.400 1.942 0.188 0.614 1.000 0.778 CB 1.349 10 residues pruned to eliminate duplicates Z: 6 2.312 1.491 0.008 0.323 0.800 0.800 CB 1.045 Z: 18 16.470 2.050 0.647 0.507 0.941 0.647 CA 1.248 18 residues pruned to eliminate duplicates Z: 22 21.580 2.052 0.608 0.636 0.952 0.667 CB 1.318 22 residues pruned to eliminate duplicates Z: 6 2.332 1.280 0.341 0.402 0.800 0.400 N 0.842 5 residues pruned to eliminate duplicates Z: 6 4.908 1.504 0.397 0.634 0.800 0.600 O 1.152 Z: 6 11.691 2.075 0.947 0.762 1.000 1.000 CB 1.025 Z: 13 6.700 1.634 0.164 0.417 0.917 0.750 CB 1.209 13 residues pruned to eliminate duplicates Z: 10 10.708 1.915 0.469 0.530 1.000 0.778 CA 1.232 10 residues pruned to eliminate duplicates Z: 7 3.092 1.668 0.341 0.372 0.667 0.333 CA 0.971 7 residues pruned to eliminate duplicates Z: 8 2.503 1.391 0.315 0.370 1.000 0.571 CB 0.595 Z: 6 4.524 1.280 0.452 0.755 1.000 0.600 C 0.868 Z: 7 5.879 1.665 0.294 0.765 1.000 1.000 CA 0.881 Z: 6 3.481 1.235 0.432 0.410 1.000 0.600 C 0.967 Z: 10 8.517 1.474 1.249 0.465 0.778 0.444 CB 1.141 10 residues pruned to eliminate duplicates Z: 8 3.210 1.282 0.644 0.407 0.857 0.429 CB 0.741 Z: 6 3.565 1.299 0.838 0.444 0.800 0.400 CB 0.884 Z: 7 5.009 1.366 0.535 0.709 1.000 0.833 CB 0.807 Z: 6 2.702 1.320 -0.058 0.627 0.800 0.800 CB 1.078 4 residues pruned to eliminate duplicates Z: 7 3.937 1.391 0.543 0.385 0.833 0.333 O 1.015 Z: 28 14.755 1.853 0.393 0.443 0.926 0.519 CB 1.260 28 residues pruned to eliminate duplicates Z: 20 23.866 1.983 0.563 0.907 1.000 0.684 CA 1.255 20 residues pruned to eliminate duplicates Z: 13 9.130 1.899 0.585 0.544 0.833 0.500 CB 1.006 13 residues pruned to eliminate duplicates Z: 19 4.623 1.485 0.181 0.297 0.778 0.389 CB 1.003 6 residues pruned to eliminate duplicates Z: 8 9.337 1.793 0.203 0.686 1.000 0.714 N 1.379 10 residues pruned to eliminate duplicates Z: 38 18.240 1.957 0.608 0.410 0.892 0.541 CB 1.175 47 residues pruned to eliminate duplicates Z: 6 2.674 1.767 0.081 0.527 0.800 0.400 N 0.762 Z: 24 27.854 2.008 0.773 0.771 0.913 0.696 CB 1.405 24 residues pruned to eliminate duplicates Z: 6 2.456 1.583 0.406 0.444 0.600 0.400 CA 0.872 Z: 6 3.431 1.363 0.193 0.697 1.000 0.400 N 0.788 Z: 6 4.393 1.329 0.486 0.377 1.000 0.600 N 1.133 Z: 7 6.875 1.733 0.520 0.755 1.000 1.000 N 0.849 Z: 8 3.871 1.656 0.487 0.302 0.571 0.429 CA 1.296 8 residues pruned to eliminate duplicates 6 1.421 1.419 -0.280 0.535 1.000 0.600 O 0.600 ? Z: 10 5.186 1.668 0.398 0.533 0.778 0.667 CB 0.923 7 residues pruned to eliminate duplicates Z: 22 13.833 1.905 0.952 0.363 0.857 0.619 CB 1.096 39 residues pruned to eliminate duplicates Z: 8 6.198 1.366 0.693 0.528 0.857 0.571 CA 1.150 8 residues pruned to eliminate duplicates Z: 28 16.692 1.875 0.366 0.540 0.926 0.778 CB 1.302 28 residues pruned to eliminate duplicates Z: 7 2.552 1.356 0.316 0.498 0.833 0.333 CB 0.702 Z: 6 5.239 1.415 0.064 0.870 1.000 0.800 CA 1.136 6 residues pruned to eliminate duplicates Z: 13 7.759 1.836 0.394 0.541 0.917 0.583 CA 0.917 13 residues pruned to eliminate duplicates Z: 10 5.366 1.676 0.100 0.494 0.889 0.556 CB 1.098 10 residues pruned to eliminate duplicates Z: 15 5.540 1.480 0.576 0.379 0.643 0.357 CA 1.123 Z: 10 5.792 1.814 0.234 0.417 0.778 0.556 CA 1.210 10 residues pruned to eliminate duplicates Z: 11 11.190 1.716 0.329 0.544 1.000 0.600 CB 1.486 11 residues pruned to eliminate duplicates Z: 13 10.582 1.752 0.672 0.391 0.917 0.417 CA 1.276 13 residues pruned to eliminate duplicates 6 0.653 1.222 0.258 0.450 1.000 0.600 CB 0.200 ? Z: 6 3.429 1.585 0.459 0.321 0.600 0.600 CA 1.347 3 residues pruned to eliminate duplicates Z: 6 5.308 1.457 0.480 0.705 1.000 0.600 CB 0.913 Z: 26 11.649 1.822 0.376 0.445 0.880 0.560 CB 1.118 26 residues pruned to eliminate duplicates Z: 9 19.863 2.099 0.693 0.663 1.000 1.000 CB 1.699 11 residues pruned to eliminate duplicates Z: 32 30.724 2.024 0.546 0.711 0.968 0.839 CB 1.505 32 residues pruned to eliminate duplicates 8 1.131 1.312 0.723 0.378 0.857 0.286 CB 0.251 ? Z: 22 18.658 2.049 0.631 0.501 0.810 0.619 CA 1.504 22 residues pruned to eliminate duplicates Z: 17 8.162 1.661 0.272 0.553 0.875 0.500 CB 1.048 17 residues pruned to eliminate duplicates Z: 8 2.488 1.546 -0.195 0.482 0.857 0.429 CB 0.898 10 residues pruned to eliminate duplicates Z: 10 10.060 1.902 0.336 0.548 0.889 0.889 CB 1.417 10 residues pruned to eliminate duplicates Z: 8 10.712 2.001 0.718 0.413 1.000 0.714 CA 1.291 8 residues pruned to eliminate duplicates Z: 8 6.230 1.394 0.378 0.881 1.000 0.857 CA 0.888 8 residues pruned to eliminate duplicates Z: 9 14.847 1.972 0.740 0.604 1.000 0.750 CA 1.386 19 residues pruned to eliminate duplicates Z: 9 6.004 1.641 0.495 0.733 1.000 0.750 CB 0.702 9 residues pruned to eliminate duplicates Z: 14 13.752 2.135 0.481 0.468 0.769 0.615 CA 1.620 14 residues pruned to eliminate duplicates Z: 12 8.498 1.996 0.515 0.352 0.727 0.636 CB 1.367 12 residues pruned to eliminate duplicates Z: 6 5.841 1.262 1.244 0.771 1.000 1.000 CB 0.726 8 residues pruned to eliminate duplicates 6 1.260 1.488 0.072 0.100 0.800 0.200 CB 0.736 ? Z: 13 7.401 1.792 0.492 0.440 0.750 0.500 CB 1.133 14 residues pruned to eliminate duplicates Z: 12 10.565 1.725 0.267 0.523 1.000 0.636 CB 1.424 12 residues pruned to eliminate duplicates Z: 9 14.656 1.831 0.953 0.853 1.000 0.875 CB 1.071 9 residues pruned to eliminate duplicates Z: 6 3.056 1.318 0.480 0.505 0.800 0.600 CA 0.871 Z: 30 21.159 1.983 0.399 0.694 0.897 0.828 CB 1.323 30 residues pruned to eliminate duplicates 6 1.699 1.362 0.236 0.292 0.600 0.400 CB 0.950 ? Z: 16 11.002 1.768 0.608 0.490 0.867 0.667 CA 1.165 10 residues pruned to eliminate duplicates Z: 17 17.118 2.016 0.650 0.511 0.875 0.625 CA 1.455 17 residues pruned to eliminate duplicates Z: 11 11.770 1.838 0.946 0.876 1.000 0.400 CB 0.756 11 residues pruned to eliminate duplicates Z: 10 3.669 1.487 0.692 0.408 0.778 0.667 CB 0.688 Z: 18 6.224 1.752 0.142 0.315 0.882 0.471 CB 1.049 18 residues pruned to eliminate duplicates Z: 14 16.777 2.137 0.434 0.775 1.000 1.000 CA 1.191 14 residues pruned to eliminate duplicates Z: 16 6.668 1.760 0.124 0.384 0.800 0.333 CB 1.231 16 residues pruned to eliminate duplicates Z: 11 12.364 1.944 0.415 0.558 1.000 0.800 CA 1.343 11 residues pruned to eliminate duplicates 7 1.642 1.534 -0.096 0.604 0.833 0.833 N 0.526 ? Z: 6 12.299 1.761 1.158 0.857 0.800 0.600 CA 1.333 6 residues pruned to eliminate duplicates Z: 9 3.000 1.353 0.064 0.280 1.000 0.375 CA 0.944 Z: 14 9.467 1.800 0.445 0.473 1.000 0.615 CB 1.037 14 residues pruned to eliminate duplicates Z: 6 5.045 1.582 0.729 0.545 0.800 0.600 N 0.986 Z: 21 45.526 2.321 0.985 0.926 1.000 0.650 CB 1.550 21 residues pruned to eliminate duplicates Z: 22 15.677 1.882 0.618 0.509 0.905 0.571 CB 1.231 22 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 9 10.579 2.001 0.040 0.553 1.000 0.625 CA 1.706 10 residues pruned to eliminate duplicates Z: 7 2.479 1.542 0.428 0.466 0.500 0.500 CB 0.951 7 residues pruned to eliminate duplicates Z: 9 10.513 1.864 0.543 0.563 0.875 0.625 CA 1.390 9 residues pruned to eliminate duplicates Z: 9 9.808 1.871 0.318 0.537 0.875 0.750 C 1.549 9 residues pruned to eliminate duplicates Z: 10 3.128 1.642 0.160 0.384 0.667 0.333 CB 0.929 9 residues pruned to eliminate duplicates Z: 6 7.799 1.933 0.351 0.623 1.000 0.400 CA 1.189 Z: 6 7.965 1.855 0.391 0.748 1.000 0.800 CB 1.106 13 residues pruned to eliminate duplicates Z: 6 5.724 1.758 0.371 0.442 0.800 0.400 CA 1.409 6 residues pruned to eliminate duplicates Z: 6 6.760 1.887 0.216 0.367 1.000 0.200 CA 1.519 Z: 12 7.203 1.662 0.169 0.371 0.909 0.545 CB 1.411 18 residues pruned to eliminate duplicates Z: 9 4.491 1.669 0.088 0.401 0.750 0.375 N 1.293 Z: 10 3.260 1.442 0.310 0.284 0.778 0.222 N 0.943 3 residues pruned to eliminate duplicates Z: 6 2.978 1.455 0.393 0.434 0.600 0.400 CA 1.172 6 residues pruned to eliminate duplicates Z: 33 23.546 2.047 0.364 0.486 1.000 0.656 CA 1.512 31 residues pruned to eliminate duplicates Z: 8 5.444 1.651 0.172 0.526 1.000 0.857 CA 1.036 8 residues pruned to eliminate duplicates Z: 34 23.831 2.072 0.510 0.492 0.879 0.667 CB 1.520 34 residues pruned to eliminate duplicates Z: 34 22.402 1.990 0.562 0.475 0.909 0.576 CB 1.415 34 residues pruned to eliminate duplicates Z: 38 22.739 1.981 0.409 0.448 0.946 0.676 CA 1.493 38 residues pruned to eliminate duplicates Z: 33 22.860 2.039 0.522 0.448 0.938 0.656 CB 1.466 33 residues pruned to eliminate duplicates Z: 35 23.957 1.995 0.546 0.475 0.941 0.618 CA 1.452 35 residues pruned to eliminate duplicates Z: 35 21.319 1.981 0.556 0.454 0.882 0.618 CB 1.409 35 residues pruned to eliminate duplicates Z: 30 19.604 1.983 0.460 0.494 0.897 0.655 CB 1.411 30 residues pruned to eliminate duplicates Z: 33 24.653 2.080 0.489 0.494 0.906 0.719 CA 1.562 33 residues pruned to eliminate duplicates Z: 34 22.928 2.025 0.472 0.490 0.909 0.667 CB 1.488 34 residues pruned to eliminate duplicates Z: 25 14.507 2.020 0.415 0.413 0.875 0.625 CB 1.297 25 residues pruned to eliminate duplicates Z: 34 19.947 1.986 0.529 0.432 0.848 0.606 CA 1.446 34 residues pruned to eliminate duplicates Z: 33 27.560 2.085 0.577 0.478 1.000 0.688 CB 1.515 33 residues pruned to eliminate duplicates Z: 7 2.688 1.436 0.977 0.454 1.000 0.500 CA 0.405 7 residues pruned to eliminate duplicates Z: 33 21.845 2.045 0.512 0.438 0.906 0.625 CB 1.470 33 residues pruned to eliminate duplicates Z: 33 23.174 2.061 0.464 0.450 0.938 0.656 CB 1.525 33 residues pruned to eliminate duplicates Z: 36 23.259 1.977 0.486 0.462 1.000 0.686 CB 1.392 36 residues pruned to eliminate duplicates Z: 34 21.815 2.049 0.421 0.473 0.909 0.576 CA 1.475 34 residues pruned to eliminate duplicates Z: 33 28.248 2.063 0.568 0.490 1.000 0.656 CB 1.558 33 residues pruned to eliminate duplicates Z: 7 6.171 1.678 0.567 0.426 0.833 0.500 CA 1.242 7 residues pruned to eliminate duplicates Z: 39 21.087 1.965 0.486 0.435 0.868 0.553 CB 1.443 39 residues pruned to eliminate duplicates Z: 32 23.315 2.036 0.561 0.517 0.935 0.742 CB 1.384 32 residues pruned to eliminate duplicates Z: 35 21.953 1.981 0.500 0.472 0.941 0.706 CA 1.385 35 residues pruned to eliminate duplicates Z: 33 23.783 2.041 0.550 0.485 0.938 0.625 CB 1.440 33 residues pruned to eliminate duplicates Z: 37 20.275 1.925 0.481 0.468 0.889 0.639 CB 1.378 37 residues pruned to eliminate duplicates Z: 10 7.444 1.953 0.247 0.585 0.778 0.444 CB 1.207 17 residues pruned to eliminate duplicates Z: 8 12.108 1.920 0.709 0.814 0.857 0.714 CB 1.238 10 residues pruned to eliminate duplicates Z: 7 11.236 2.012 0.572 0.813 0.833 0.667 CA 1.325 7 residues pruned to eliminate duplicates Z: 9 11.632 1.930 0.751 0.757 1.000 0.500 CB 0.968 9 residues pruned to eliminate duplicates Z: 6 4.703 1.651 1.069 0.553 0.800 0.400 CB 0.731 6 residues pruned to eliminate duplicates Z: 8 7.474 1.873 0.383 0.435 1.000 0.714 CB 1.167 7 residues pruned to eliminate duplicates Z: 10 5.586 1.672 0.520 0.360 0.667 0.556 N 1.278 10 residues pruned to eliminate duplicates Z: 8 8.854 1.854 0.519 0.514 0.857 0.857 N 1.368 8 residues pruned to eliminate duplicates Z: 9 11.207 1.801 0.552 0.517 1.000 0.875 CB 1.394 9 residues pruned to eliminate duplicates Z: 8 8.017 1.881 0.623 0.479 0.714 0.714 N 1.419 8 residues pruned to eliminate duplicates Z: 20 13.270 1.842 0.619 0.530 0.842 0.526 CB 1.177 23 residues pruned to eliminate duplicates Z: 9 10.373 1.782 0.212 0.818 1.000 0.250 CA 1.289 9 residues pruned to eliminate duplicates Z: 18 22.105 2.122 0.461 0.913 1.000 0.765 CA 1.224 18 residues pruned to eliminate duplicates Z: 20 23.573 2.096 0.576 0.885 1.000 0.684 CA 1.182 20 residues pruned to eliminate duplicates Z: 20 22.237 2.090 0.394 0.856 1.000 0.737 CA 1.291 20 residues pruned to eliminate duplicates Z: 20 24.550 2.087 0.677 0.871 1.000 0.579 CA 1.173 20 residues pruned to eliminate duplicates Z: 21 22.086 2.019 0.576 0.878 1.000 0.750 CA 1.127 21 residues pruned to eliminate duplicates Z: 21 24.843 2.057 0.664 0.880 1.000 0.600 CA 1.177 21 residues pruned to eliminate duplicates Z: 20 26.494 2.081 0.897 0.877 1.000 0.684 CA 1.118 20 residues pruned to eliminate duplicates Z: 20 28.917 2.093 0.851 0.888 1.000 0.579 CA 1.233 20 residues pruned to eliminate duplicates Z: 20 26.204 2.086 0.762 0.873 1.000 0.842 CA 1.192 20 residues pruned to eliminate duplicates Z: 20 27.220 2.066 0.849 0.871 1.000 0.632 CA 1.192 20 residues pruned to eliminate duplicates Z: 21 27.654 2.001 0.784 0.833 1.000 0.450 CA 1.300 21 residues pruned to eliminate duplicates Z: 13 24.894 2.092 1.065 0.739 1.000 0.500 CA 1.343 13 residues pruned to eliminate duplicates Z: 13 23.972 2.037 1.260 0.892 0.917 0.500 CA 1.178 13 residues pruned to eliminate duplicates Z: 20 33.031 2.079 0.855 0.928 0.947 0.474 CA 1.453 19 residues pruned to eliminate duplicates Z: 19 29.335 2.091 0.899 0.921 0.944 0.611 CA 1.297 19 residues pruned to eliminate duplicates Z: 22 28.429 1.932 1.017 0.823 0.952 0.429 CA 1.263 22 residues pruned to eliminate duplicates Z: 19 29.411 2.118 0.916 0.853 1.000 0.500 CA 1.263 19 residues pruned to eliminate duplicates Z: 19 14.374 1.912 0.839 0.301 0.889 0.444 CB 1.353 24 residues pruned to eliminate duplicates Z: 6 5.243 1.551 0.591 0.471 0.800 0.600 C 1.223 6 residues pruned to eliminate duplicates Z: 14 8.895 1.945 0.761 0.324 0.769 0.462 CB 1.136 14 residues pruned to eliminate duplicates Z: 14 9.377 1.976 0.684 0.256 0.769 0.615 CB 1.344 14 residues pruned to eliminate duplicates Z: 26 16.771 1.938 0.631 0.456 0.880 0.600 CB 1.262 45 residues pruned to eliminate duplicates Z: 17 7.430 1.749 0.554 0.245 0.812 0.562 CB 1.129 Z: 16 8.476 1.822 0.519 0.324 0.867 0.667 CB 1.108 17 residues pruned to eliminate duplicates Z: 14 8.595 1.902 0.667 0.210 0.923 0.385 CB 1.147 14 residues pruned to eliminate duplicates Z: 6 2.714 1.720 0.569 0.248 1.000 0.800 CB 0.601 Z: 7 3.922 1.800 0.607 0.362 0.833 0.667 CB 0.771 7 residues pruned to eliminate duplicates Z: 33 14.343 1.972 0.410 0.382 0.875 0.531 CB 1.181 33 residues pruned to eliminate duplicates Z: 35 14.690 1.895 0.575 0.369 0.824 0.500 CB 1.179 35 residues pruned to eliminate duplicates Z: 19 13.917 1.966 0.609 0.367 0.889 0.556 CB 1.346 19 residues pruned to eliminate duplicates Z: 26 17.548 1.977 0.590 0.410 0.920 0.680 CB 1.333 26 residues pruned to eliminate duplicates Z: 32 14.877 1.916 0.641 0.375 0.774 0.452 CB 1.254 32 residues pruned to eliminate duplicates Z: 18 13.319 2.054 0.572 0.385 0.941 0.529 CB 1.201 18 residues pruned to eliminate duplicates Z: 26 9.176 1.869 0.492 0.243 0.760 0.400 CB 1.166 26 residues pruned to eliminate duplicates Z: 19 11.096 2.024 0.468 0.307 0.833 0.611 CB 1.308 19 residues pruned to eliminate duplicates Z: 15 6.967 1.866 0.515 0.275 0.857 0.500 CB 0.992 15 residues pruned to eliminate duplicates Z: 14 9.337 1.757 0.707 0.291 0.769 0.462 C 1.420 14 residues pruned to eliminate duplicates Z: 12 14.530 1.990 0.817 0.433 0.818 0.455 CA 1.587 12 residues pruned to eliminate duplicates Z: 13 8.564 1.794 0.682 0.417 0.667 0.583 CA 1.340 13 residues pruned to eliminate duplicates Z: 14 9.734 1.821 0.697 0.313 0.846 0.538 CB 1.270 14 residues pruned to eliminate duplicates Z: 7 11.401 1.932 1.112 0.541 0.833 0.667 CB 1.315 7 residues pruned to eliminate duplicates Z: 10 10.081 1.715 0.848 0.427 0.889 0.556 CA 1.287 10 residues pruned to eliminate duplicates Z: 16 19.156 1.924 0.909 0.483 0.867 0.600 CB 1.581 16 residues pruned to eliminate duplicates Z: 16 18.123 1.940 0.972 0.443 0.867 0.600 CB 1.497 16 residues pruned to eliminate duplicates Z: 16 22.099 1.974 0.950 0.544 0.933 0.733 CA 1.522 16 residues pruned to eliminate duplicates Z: 18 19.916 1.895 0.910 0.445 0.941 0.529 CB 1.500 18 residues pruned to eliminate duplicates Z: 10 16.535 2.095 0.705 0.678 0.889 0.667 CB 1.473 10 residues pruned to eliminate duplicates Z: 10 20.230 2.070 0.815 0.787 1.000 1.000 CB 1.394 9 residues pruned to eliminate duplicates Z: 10 15.145 2.105 0.600 0.683 1.000 0.889 CB 1.267 10 residues pruned to eliminate duplicates Z: 10 16.436 2.100 0.834 0.655 1.000 0.889 CB 1.232 10 residues pruned to eliminate duplicates Z: 21 12.300 1.876 0.437 0.402 0.850 0.650 CB 1.331 21 residues pruned to eliminate duplicates Z: 9 20.297 2.126 0.879 0.750 1.000 0.875 CB 1.438 10 residues pruned to eliminate duplicates Z: 9 12.489 2.066 0.609 0.663 1.000 0.750 CB 1.142 10 residues pruned to eliminate duplicates Z: 6 2.961 1.554 0.746 0.333 1.000 0.600 CA 0.586 5 residues pruned to eliminate duplicates Z: 6 8.327 1.624 0.985 0.454 1.000 1.000 CA 1.211 6 residues pruned to eliminate duplicates Z: 8 6.032 2.073 0.260 0.271 0.714 0.429 CA 1.585 8 residues pruned to eliminate duplicates Z: 23 11.276 1.979 0.354 0.316 0.773 0.409 CA 1.422 23 residues pruned to eliminate duplicates Z: 27 13.883 1.872 0.538 0.313 0.846 0.500 CB 1.374 27 residues pruned to eliminate duplicates Z: 23 12.114 1.950 0.582 0.325 0.773 0.455 CA 1.313 23 residues pruned to eliminate duplicates Z: 31 12.299 1.863 0.399 0.331 0.800 0.367 CB 1.295 31 residues pruned to eliminate duplicates Z: 16 12.311 1.983 0.449 0.414 0.867 0.400 CA 1.396 16 residues pruned to eliminate duplicates Z: 16 11.059 1.935 0.526 0.384 0.800 0.400 CB 1.368 16 residues pruned to eliminate duplicates Z: 13 13.122 2.011 0.589 0.327 0.917 0.333 N 1.563 13 residues pruned to eliminate duplicates Z: 17 8.394 1.889 0.446 0.359 0.812 0.312 CB 1.101 17 residues pruned to eliminate duplicates Z: 13 9.914 2.004 0.457 0.345 0.750 0.333 CB 1.547 13 residues pruned to eliminate duplicates Z: 19 7.362 1.783 0.375 0.247 0.778 0.389 CB 1.218 19 residues pruned to eliminate duplicates Z: 16 12.784 1.998 0.543 0.358 0.867 0.333 CB 1.439 16 residues pruned to eliminate duplicates Z: 13 12.919 2.047 0.544 0.290 0.917 0.333 CA 1.630 13 residues pruned to eliminate duplicates Z: 14 10.373 2.016 0.500 0.267 0.769 0.462 CA 1.613 14 residues pruned to eliminate duplicates Z: 14 4.967 1.952 0.292 0.194 0.538 0.231 CB 1.462 14 residues pruned to eliminate duplicates Z: 15 13.927 1.992 0.398 0.459 0.929 0.643 CA 1.501 15 residues pruned to eliminate duplicates Z: 7 6.759 1.836 0.239 0.549 0.833 0.333 C 1.388 7 residues pruned to eliminate duplicates Z: 16 9.238 2.034 0.132 0.431 0.867 0.467 CB 1.284 21 residues pruned to eliminate duplicates Z: 14 5.754 1.728 0.270 0.338 0.769 0.462 CB 1.128 14 residues pruned to eliminate duplicates Z: 19 11.040 1.913 0.361 0.423 0.833 0.278 CB 1.299 19 residues pruned to eliminate duplicates Z: 14 6.943 1.830 0.365 0.305 0.769 0.538 CB 1.245 14 residues pruned to eliminate duplicates Z: 32 14.181 2.035 0.447 0.308 0.871 0.516 CB 1.228 16 residues pruned to eliminate duplicates Z: 35 14.155 1.972 0.470 0.355 0.824 0.618 CB 1.190 35 residues pruned to eliminate duplicates Z: 11 9.109 1.954 0.414 0.409 0.800 0.500 CA 1.434 11 residues pruned to eliminate duplicates Z: 18 9.551 1.964 0.284 0.364 0.882 0.294 CB 1.205 18 residues pruned to eliminate duplicates Z: 13 9.035 1.976 0.592 0.347 0.750 0.417 CA 1.306 13 residues pruned to eliminate duplicates Z: 12 9.542 2.061 0.402 0.387 0.818 0.273 CB 1.372 12 residues pruned to eliminate duplicates Z: 16 12.650 2.068 0.447 0.440 0.933 0.333 CB 1.244 16 residues pruned to eliminate duplicates Z: 24 15.896 2.074 0.389 0.399 0.957 0.478 CB 1.338 24 residues pruned to eliminate duplicates Z: 35 15.412 1.983 0.467 0.348 0.882 0.529 CB 1.215 34 residues pruned to eliminate duplicates Z: 12 11.287 2.105 0.599 0.353 0.818 0.455 CB 1.449 12 residues pruned to eliminate duplicates Z: 33 19.258 1.989 0.575 0.420 0.906 0.562 CB 1.304 33 residues pruned to eliminate duplicates Z: 21 11.956 2.013 0.480 0.326 0.900 0.600 CB 1.207 21 residues pruned to eliminate duplicates Z: 35 18.230 1.890 0.649 0.384 0.853 0.529 CB 1.330 21 residues pruned to eliminate duplicates Z: 39 13.865 1.891 0.452 0.373 0.763 0.579 CB 1.229 35 residues pruned to eliminate duplicates Z: 19 11.422 1.664 0.505 0.437 0.944 0.833 CB 1.215 26 residues pruned to eliminate duplicates Z: 6 3.028 1.426 0.525 0.298 0.800 0.400 CA 0.975 Z: 6 3.512 1.221 0.858 0.444 1.000 0.800 CA 0.734 6 residues pruned to eliminate duplicates Z: 8 12.507 1.860 0.707 0.722 0.857 0.857 N 1.421 Z: 20 9.140 1.675 0.311 0.351 0.842 0.579 CB 1.331 20 residues pruned to eliminate duplicates Z: 16 9.817 1.892 0.409 0.409 0.933 0.333 CA 1.121 16 residues pruned to eliminate duplicates Z: 18 14.090 1.926 0.671 0.394 0.941 0.471 CB 1.263 18 residues pruned to eliminate duplicates Z: 12 8.723 1.989 0.685 0.360 0.818 0.364 CB 1.116 12 residues pruned to eliminate duplicates Z: 12 10.813 2.033 0.797 0.503 0.909 0.455 CB 0.979 12 residues pruned to eliminate duplicates Z: 14 7.421 1.843 0.671 0.326 0.692 0.385 CB 1.168 14 residues pruned to eliminate duplicates Z: 16 8.725 1.865 0.576 0.450 0.733 0.400 CB 1.100 16 residues pruned to eliminate duplicates Z: 26 14.388 1.811 0.788 0.451 0.800 0.600 CB 1.168 28 residues pruned to eliminate duplicates Z: 17 11.407 1.930 0.703 0.415 0.812 0.500 CB 1.167 17 residues pruned to eliminate duplicates Z: 17 12.164 1.953 0.674 0.413 0.812 0.500 CB 1.253 17 residues pruned to eliminate duplicates Z: 16 10.619 1.897 0.692 0.433 0.933 0.600 CB 0.981 16 residues pruned to eliminate duplicates Z: 14 13.790 2.004 0.888 0.473 0.923 0.615 CB 1.126 14 residues pruned to eliminate duplicates Z: 13 13.847 2.042 0.819 0.521 0.833 0.667 CB 1.265 13 residues pruned to eliminate duplicates Z: 9 6.544 1.896 0.485 0.401 0.875 0.375 CB 1.042 9 residues pruned to eliminate duplicates Z: 9 6.316 1.772 0.055 0.588 1.000 0.750 CB 1.097 9 residues pruned to eliminate duplicates Z: 6 5.821 1.492 0.642 0.383 1.000 0.600 CA 1.204 6 residues pruned to eliminate duplicates Z: 20 9.563 1.772 0.330 0.523 0.789 0.526 CB 1.153 20 residues pruned to eliminate duplicates Z: 23 9.223 1.695 0.396 0.409 0.773 0.409 CB 1.183 23 residues pruned to eliminate duplicates Z: 21 9.636 1.691 0.452 0.485 0.800 0.550 CB 1.114 21 residues pruned to eliminate duplicates Z: 19 8.020 1.773 0.408 0.538 0.722 0.444 CB 1.010 19 residues pruned to eliminate duplicates Z: 19 10.372 1.781 0.447 0.519 0.778 0.556 CB 1.197 19 residues pruned to eliminate duplicates Z: 18 10.266 1.839 0.410 0.568 0.765 0.529 CB 1.176 18 residues pruned to eliminate duplicates Z: 20 11.012 1.780 0.451 0.509 0.737 0.632 CB 1.316 20 residues pruned to eliminate duplicates Z: 18 11.210 1.822 0.491 0.553 0.882 0.588 CB 1.078 18 residues pruned to eliminate duplicates Z: 7 7.320 1.952 0.373 0.696 0.667 0.667 N 1.398 7 residues pruned to eliminate duplicates Z: 9 4.896 1.682 0.357 0.589 0.750 0.625 CA 0.929 9 residues pruned to eliminate duplicates Z: 9 6.030 1.855 0.524 0.482 0.625 0.625 CA 1.229 9 residues pruned to eliminate duplicates Z: 11 5.864 1.817 0.331 0.275 0.800 0.400 CB 1.237 7 residues pruned to eliminate duplicates Z: 7 6.857 1.842 0.157 0.583 0.833 0.500 CB 1.455 11 residues pruned to eliminate duplicates Z: 7 11.701 1.766 0.725 0.546 1.000 0.833 N 1.500 5 residues pruned to eliminate duplicates Z: 7 9.202 1.843 0.304 0.547 1.000 0.833 CB 1.493 7 residues pruned to eliminate duplicates Z: 7 2.188 1.732 0.296 0.209 0.667 0.167 CB 0.842 7 residues pruned to eliminate duplicates Z: 13 13.536 1.817 0.673 0.544 0.917 0.583 CA 1.343 13 residues pruned to eliminate duplicates Z: 12 12.124 1.942 0.691 0.496 0.909 0.636 CB 1.229 12 residues pruned to eliminate duplicates Z: 9 16.912 2.173 0.824 0.661 0.875 0.625 CB 1.485 9 residues pruned to eliminate duplicates Z: 8 16.481 2.150 0.705 0.637 1.000 0.571 CB 1.495 8 residues pruned to eliminate duplicates Z: 9 18.752 2.183 0.855 0.687 0.875 0.750 CB 1.576 9 residues pruned to eliminate duplicates Z: 12 16.073 1.921 0.798 0.532 0.909 0.727 CA 1.496 12 residues pruned to eliminate duplicates Z: 12 12.275 2.006 0.679 0.603 0.818 0.545 CB 1.218 12 residues pruned to eliminate duplicates Z: 11 19.033 2.058 0.653 0.577 1.000 0.800 CB 1.643 11 residues pruned to eliminate duplicates Z: 20 10.789 1.680 0.445 0.340 0.947 0.526 CB 1.282 37 residues pruned to eliminate duplicates 6 1.858 1.391 0.625 0.460 0.600 0.600 CA 0.638 ? Z: 6 3.945 1.558 0.156 0.462 1.000 1.000 N 1.018 6 residues pruned to eliminate duplicates Z: 14 13.777 1.853 0.295 0.527 1.000 0.615 N 1.552 14 residues pruned to eliminate duplicates Z: 11 9.548 1.797 0.385 0.431 0.900 0.300 CA 1.447 10 residues pruned to eliminate duplicates Z: 6 4.552 1.606 0.373 0.589 1.000 0.400 CA 0.848 6 residues pruned to eliminate duplicates Z: 15 12.386 1.829 0.397 0.468 0.857 0.500 CB 1.561 15 residues pruned to eliminate duplicates Z: 11 9.146 1.712 0.362 0.453 0.900 0.500 N 1.445 11 residues pruned to eliminate duplicates Z: 17 9.652 1.795 0.113 0.415 0.938 0.438 CB 1.408 15 residues pruned to eliminate duplicates Z: 6 2.915 1.186 0.515 0.355 1.000 0.200 CB 0.848 6 residues pruned to eliminate duplicates Z: 16 12.195 2.030 0.304 0.421 0.867 0.533 CA 1.491 16 residues pruned to eliminate duplicates Z: 27 8.503 1.918 0.373 0.287 0.654 0.462 CB 1.232 27 residues pruned to eliminate duplicates Z: 17 11.662 2.071 0.429 0.395 0.750 0.562 CA 1.468 17 residues pruned to eliminate duplicates Z: 16 11.269 2.113 0.405 0.400 0.800 0.533 CA 1.360 16 residues pruned to eliminate duplicates Z: 14 8.193 2.044 0.312 0.333 0.769 0.462 CA 1.322 14 residues pruned to eliminate duplicates Z: 13 12.974 2.197 0.537 0.436 0.833 0.583 CA 1.421 13 residues pruned to eliminate duplicates Z: 14 11.699 2.054 0.338 0.400 0.923 0.538 CA 1.421 14 residues pruned to eliminate duplicates Z: 19 7.204 1.859 0.535 0.266 0.611 0.500 CB 1.271 19 residues pruned to eliminate duplicates Z: 23 11.495 1.970 0.343 0.322 0.818 0.364 CB 1.376 23 residues pruned to eliminate duplicates Z: 19 13.930 2.083 0.484 0.429 0.833 0.500 CB 1.371 19 residues pruned to eliminate duplicates Z: 17 10.165 2.020 0.270 0.322 0.812 0.438 CB 1.483 17 residues pruned to eliminate duplicates Z: 23 10.891 2.043 0.406 0.321 0.773 0.455 CB 1.274 23 residues pruned to eliminate duplicates Z: 9 5.086 1.973 0.322 0.326 0.750 0.375 CB 1.111 9 residues pruned to eliminate duplicates Z: 20 10.603 1.994 0.388 0.298 0.737 0.421 CB 1.496 20 residues pruned to eliminate duplicates Z: 16 12.566 2.131 0.518 0.368 0.800 0.400 CA 1.444 17 residues pruned to eliminate duplicates Z: 6 2.939 1.918 0.308 0.467 0.400 0.200 CA 1.354 6 residues pruned to eliminate duplicates Z: 19 10.722 2.112 0.512 0.332 0.667 0.389 CB 1.426 19 residues pruned to eliminate duplicates Z: 21 12.649 2.087 0.248 0.334 0.900 0.500 CB 1.447 16 residues pruned to eliminate duplicates Z: 6 4.454 1.459 1.150 0.316 0.800 0.600 CA 0.972 6 residues pruned to eliminate duplicates Z: 11 7.776 1.671 0.785 0.318 0.900 0.600 CA 1.119 11 residues pruned to eliminate duplicates Z: 11 7.935 1.662 0.679 0.282 0.900 0.300 CA 1.278 11 residues pruned to eliminate duplicates Z: 40 26.456 1.958 0.622 0.523 0.897 0.564 CA 1.452 42 residues pruned to eliminate duplicates Z: 6 6.166 1.525 0.851 0.494 1.000 0.200 CA 0.983 6 residues pruned to eliminate duplicates Z: 33 19.903 1.959 0.525 0.424 0.875 0.531 CA 1.457 33 residues pruned to eliminate duplicates Z: 25 21.329 2.103 0.574 0.477 0.875 0.625 CA 1.539 25 residues pruned to eliminate duplicates Z: 33 19.128 1.897 0.648 0.454 0.812 0.531 CA 1.395 33 residues pruned to eliminate duplicates Z: 24 17.943 2.041 0.555 0.463 0.870 0.652 CA 1.408 24 residues pruned to eliminate duplicates Z: 33 20.371 1.930 0.438 0.468 0.938 0.750 CA 1.430 33 residues pruned to eliminate duplicates Z: 32 21.999 1.998 0.562 0.428 0.871 0.516 CB 1.567 29 residues pruned to eliminate duplicates Z: 12 11.060 1.849 0.373 0.650 1.000 0.727 CA 1.143 12 residues pruned to eliminate duplicates Z: 18 21.577 2.156 0.512 0.591 0.882 0.765 CA 1.668 18 residues pruned to eliminate duplicates Z: 27 21.909 2.004 0.633 0.476 0.923 0.692 CA 1.457 27 residues pruned to eliminate duplicates Z: 14 22.885 2.222 0.744 0.552 0.923 0.923 CA 1.687 14 residues pruned to eliminate duplicates Z: 32 21.914 2.013 0.559 0.402 0.903 0.516 CA 1.539 32 residues pruned to eliminate duplicates Z: 23 19.551 1.938 0.555 0.520 0.864 0.591 CA 1.571 18 residues pruned to eliminate duplicates Z: 9 18.790 1.991 0.801 0.866 1.000 0.625 CA 1.356 9 residues pruned to eliminate duplicates Z: 9 2.784 1.511 0.544 0.167 0.625 0.500 C 1.012 9 residues pruned to eliminate duplicates Z: 18 20.881 2.198 0.503 0.600 0.882 0.706 CA 1.580 18 residues pruned to eliminate duplicates Z: 7 2.062 1.693 0.296 0.083 0.500 0.500 C 1.316 7 residues pruned to eliminate duplicates Z: 7 3.208 1.865 0.611 0.170 0.500 0.167 C 1.302 7 residues pruned to eliminate duplicates Z: 8 6.262 1.889 0.193 0.473 0.857 0.286 CB 1.259 8 residues pruned to eliminate duplicates Z: 29 11.667 1.822 0.333 0.404 0.929 0.464 CB 1.081 29 residues pruned to eliminate duplicates Z: 26 12.942 1.873 0.251 0.453 0.920 0.520 CB 1.261 26 residues pruned to eliminate duplicates Z: 30 10.894 1.810 0.228 0.394 0.931 0.552 CB 1.094 30 residues pruned to eliminate duplicates Z: 25 11.967 1.881 0.321 0.400 0.917 0.458 CB 1.192 25 residues pruned to eliminate duplicates Z: 18 11.244 1.819 0.252 0.420 0.941 0.529 CB 1.382 18 residues pruned to eliminate duplicates Z: 34 11.110 1.751 0.289 0.343 0.909 0.485 CB 1.118 34 residues pruned to eliminate duplicates Z: 16 10.190 1.893 0.275 0.420 0.933 0.600 CA 1.269 16 residues pruned to eliminate duplicates Z: 18 12.796 1.863 0.373 0.425 0.941 0.529 CB 1.393 18 residues pruned to eliminate duplicates Z: 32 12.278 1.810 0.359 0.391 0.871 0.516 CB 1.155 68 residues pruned to eliminate duplicates Z: 25 12.128 1.872 0.362 0.452 0.875 0.458 CB 1.165 Z: 6 3.977 1.398 0.301 0.433 1.000 0.600 CB 1.049 Z: 6 3.280 1.788 0.072 0.363 0.800 0.400 CB 1.109 6 residues pruned to eliminate duplicates Z: 8 7.575 2.113 0.177 0.317 1.000 0.429 CA 1.409 8 residues pruned to eliminate duplicates Z: 28 22.630 2.050 0.679 0.378 0.963 0.556 CA 1.498 28 residues pruned to eliminate duplicates Z: 28 19.240 2.101 0.512 0.389 0.889 0.556 CA 1.474 28 residues pruned to eliminate duplicates Z: 29 18.960 2.019 0.451 0.430 0.893 0.500 CA 1.473 29 residues pruned to eliminate duplicates Z: 8 8.669 2.025 0.559 0.428 0.857 0.571 CB 1.305 8 residues pruned to eliminate duplicates Z: 33 21.829 2.152 0.669 0.334 0.875 0.406 CB 1.472 61 residues pruned to eliminate duplicates Z: 22 24.859 2.254 0.684 0.386 1.000 0.619 CB 1.613 Z: 7 6.292 1.922 1.198 0.291 0.833 0.167 CA 0.923 7 residues pruned to eliminate duplicates Z: 26 24.672 2.119 0.778 0.422 0.920 0.600 CA 1.544 23 residues pruned to eliminate duplicates Z: 7 4.763 1.680 0.853 0.349 0.667 0.167 CA 1.104 7 residues pruned to eliminate duplicates Z: 29 25.302 2.078 0.789 0.429 0.893 0.571 CB 1.551 25 residues pruned to eliminate duplicates Z: 6 2.174 1.708 0.299 0.422 0.600 0.400 CA 0.792 6 residues pruned to eliminate duplicates Z: 20 17.354 2.038 0.644 0.482 0.842 0.579 CA 1.437 20 residues pruned to eliminate duplicates Z: 6 2.557 1.409 0.914 0.327 0.800 0.400 CB 0.641 6 residues pruned to eliminate duplicates Z: 24 22.919 2.158 0.774 0.430 0.913 0.522 CA 1.471 24 residues pruned to eliminate duplicates Z: 27 26.169 2.126 0.738 0.440 0.962 0.538 CA 1.537 27 residues pruned to eliminate duplicates Z: 6 4.559 1.746 0.300 0.384 0.800 0.800 CA 1.270 6 residues pruned to eliminate duplicates Z: 26 27.337 2.117 0.888 0.462 0.920 0.600 CA 1.546 29 residues pruned to eliminate duplicates Z: 8 4.683 1.492 0.461 0.406 1.000 0.429 CA 0.896 8 residues pruned to eliminate duplicates Z: 72 47.525 2.184 0.773 0.531 0.944 0.493 CB 1.497 72 residues pruned to eliminate duplicates Z: 16 11.948 1.992 0.441 0.343 0.867 0.400 CA 1.471 16 residues pruned to eliminate duplicates Z: 33 29.571 2.105 0.334 0.649 0.969 0.750 CA 1.671 40 residues pruned to eliminate duplicates Z: 6 3.315 1.396 0.161 0.429 1.000 0.600 CB 0.985 6 residues pruned to eliminate duplicates Z: 27 26.367 2.182 0.366 0.693 0.885 0.808 CA 1.644 27 residues pruned to eliminate duplicates Z: 48 33.193 2.158 0.516 0.540 0.872 0.617 CA 1.632 48 residues pruned to eliminate duplicates Z: 27 33.113 2.215 0.498 0.705 0.962 0.808 CA 1.689 27 residues pruned to eliminate duplicates Z: 49 36.752 2.168 0.541 0.560 0.917 0.667 CA 1.635 49 residues pruned to eliminate duplicates Z: 30 31.657 2.099 0.416 0.720 0.966 0.793 CA 1.679 30 residues pruned to eliminate duplicates Z: 55 36.190 2.137 0.575 0.501 0.907 0.611 CB 1.611 49 residues pruned to eliminate duplicates Z: 20 20.269 2.186 0.208 0.855 0.895 0.895 CB 1.453 20 residues pruned to eliminate duplicates Z: 22 24.601 2.169 0.486 0.798 0.857 0.762 CA 1.498 22 residues pruned to eliminate duplicates Z: 30 31.892 2.155 0.428 0.714 0.966 0.793 CB 1.640 30 residues pruned to eliminate duplicates Z: 28 26.715 2.187 0.254 0.667 0.963 0.704 CB 1.668 28 residues pruned to eliminate duplicates Z: 32 33.150 2.090 0.570 0.667 0.968 0.742 CB 1.606 32 residues pruned to eliminate duplicates Z: 28 30.869 2.110 0.545 0.675 0.963 0.630 CA 1.610 28 residues pruned to eliminate duplicates Z: 27 28.240 2.204 0.240 0.711 1.000 0.769 CA 1.673 27 residues pruned to eliminate duplicates Z: 49 40.471 2.193 0.581 0.576 0.938 0.625 CA 1.671 49 residues pruned to eliminate duplicates Z: 35 29.397 2.039 0.516 0.639 0.912 0.559 CB 1.571 35 residues pruned to eliminate duplicates Z: 27 38.736 2.214 0.739 0.712 0.962 0.769 CB 1.693 27 residues pruned to eliminate duplicates Z: 25 26.869 2.000 1.058 0.677 0.792 0.333 CB 1.430 25 residues pruned to eliminate duplicates Z: 48 40.291 2.181 0.801 0.519 0.894 0.511 CB 1.643 48 residues pruned to eliminate duplicates Z: 31 22.106 2.116 0.651 0.514 0.767 0.367 CA 1.486 31 residues pruned to eliminate duplicates Z: 19 32.386 2.172 0.983 0.864 0.944 0.444 CB 1.376 19 residues pruned to eliminate duplicates Z: 27 33.446 2.177 0.796 0.646 0.885 0.462 CB 1.654 29 residues pruned to eliminate duplicates Z: 11 16.862 1.843 1.166 0.850 0.900 0.600 CB 1.100 8 residues pruned to eliminate duplicates Z: 22 32.263 2.081 1.036 0.887 1.000 0.429 CB 1.198 22 residues pruned to eliminate duplicates Z: 7 2.088 1.232 0.913 0.101 0.667 0.167 CA 0.902 4 residues pruned to eliminate duplicates Z: 10 7.456 1.529 0.773 0.767 1.000 0.556 CB 0.723 11 residues pruned to eliminate duplicates Z: 9 9.038 1.768 0.782 0.516 0.875 0.500 CA 1.141 9 residues pruned to eliminate duplicates Z: 51 29.155 2.132 0.352 0.493 0.900 0.680 CA 1.601 51 residues pruned to eliminate duplicates Z: 28 16.502 2.001 0.655 0.321 0.852 0.556 CA 1.371 28 residues pruned to eliminate duplicates Z: 56 37.867 2.089 0.629 0.512 0.964 0.691 CB 1.539 56 residues pruned to eliminate duplicates Z: 29 11.418 1.946 0.343 0.243 0.786 0.429 CA 1.415 29 residues pruned to eliminate duplicates Z: 26 15.348 2.004 0.428 0.326 0.880 0.480 CA 1.476 26 residues pruned to eliminate duplicates Z: 25 16.743 2.065 0.550 0.371 0.833 0.542 CA 1.471 25 residues pruned to eliminate duplicates Z: 16 11.256 2.035 0.505 0.358 0.867 0.467 CA 1.276 16 residues pruned to eliminate duplicates Z: 26 12.408 1.862 0.705 0.294 0.760 0.480 CA 1.296 26 residues pruned to eliminate duplicates Z: 14 12.022 2.119 0.727 0.356 0.769 0.615 CA 1.383 14 residues pruned to eliminate duplicates Z: 25 18.471 2.062 0.672 0.316 0.958 0.458 CA 1.398 25 residues pruned to eliminate duplicates Z: 12 11.868 2.074 0.682 0.458 0.909 0.545 CA 1.179 12 residues pruned to eliminate duplicates Z: 44 34.075 2.138 0.513 0.602 0.930 0.721 CA 1.567 44 residues pruned to eliminate duplicates Z: 30 21.621 2.050 0.749 0.360 0.897 0.621 CA 1.452 30 residues pruned to eliminate duplicates Z: 14 13.836 2.155 0.624 0.423 0.846 0.615 CA 1.403 14 residues pruned to eliminate duplicates Z: 26 17.667 2.039 0.645 0.352 0.840 0.400 CA 1.472 26 residues pruned to eliminate duplicates Z: 47 33.177 2.103 0.616 0.545 0.891 0.696 CA 1.545 47 residues pruned to eliminate duplicates Z: 55 39.371 2.087 0.676 0.567 0.944 0.667 CA 1.519 55 residues pruned to eliminate duplicates Z: 51 30.925 2.097 0.424 0.557 0.960 0.700 CA 1.444 51 residues pruned to eliminate duplicates Z: 57 35.120 2.061 0.615 0.557 0.911 0.661 CA 1.464 57 residues pruned to eliminate duplicates Z: 34 17.005 1.844 0.709 0.336 0.939 0.455 CA 1.196 34 residues pruned to eliminate duplicates Z: 35 32.530 2.129 0.447 0.716 0.941 0.824 CA 1.582 35 residues pruned to eliminate duplicates Z: 16 12.229 1.999 0.465 0.377 0.867 0.600 CA 1.419 16 residues pruned to eliminate duplicates Z: 59 36.696 2.048 0.668 0.539 0.914 0.707 CA 1.486 59 residues pruned to eliminate duplicates Z: 29 26.673 2.147 0.393 0.703 0.964 0.786 CB 1.453 29 residues pruned to eliminate duplicates Z: 18 17.977 2.172 0.283 0.545 0.941 0.647 CB 1.591 18 residues pruned to eliminate duplicates Z: 32 27.727 2.100 0.420 0.699 0.968 0.806 CB 1.440 32 residues pruned to eliminate duplicates Z: 58 38.380 2.093 0.700 0.523 0.895 0.719 CA 1.560 58 residues pruned to eliminate duplicates Z: 51 32.830 2.103 0.551 0.559 0.880 0.660 CA 1.527 51 residues pruned to eliminate duplicates Z: 56 31.769 2.025 0.563 0.458 0.927 0.527 CB 1.524 56 residues pruned to eliminate duplicates Z: 33 36.058 2.125 0.736 0.709 0.906 0.719 CB 1.576 33 residues pruned to eliminate duplicates Z: 41 32.209 2.135 0.626 0.598 0.900 0.675 CB 1.484 41 residues pruned to eliminate duplicates Z: 33 33.747 2.165 0.631 0.745 0.906 0.719 CB 1.498 33 residues pruned to eliminate duplicates Z: 32 34.392 2.122 0.606 0.748 1.000 0.774 CB 1.453 32 residues pruned to eliminate duplicates Z: 33 31.309 2.116 0.652 0.706 0.938 0.625 CB 1.400 33 residues pruned to eliminate duplicates Z: 28 29.266 2.154 0.526 0.690 0.963 0.667 CB 1.495 28 residues pruned to eliminate duplicates Z: 32 27.629 2.097 0.604 0.599 0.903 0.581 CB 1.486 32 residues pruned to eliminate duplicates Z: 48 36.809 2.107 0.782 0.521 0.894 0.596 CB 1.567 48 residues pruned to eliminate duplicates Z: 48 36.070 2.113 0.722 0.552 0.915 0.638 CB 1.502 48 residues pruned to eliminate duplicates Z: 37 33.818 2.068 0.729 0.658 0.917 0.611 CB 1.485 37 residues pruned to eliminate duplicates Z: 33 30.961 2.102 0.744 0.705 0.906 0.594 CB 1.367 33 residues pruned to eliminate duplicates Z: 34 33.387 2.086 0.741 0.670 0.970 0.758 CB 1.410 34 residues pruned to eliminate duplicates Z: 45 41.127 2.125 0.814 0.611 0.932 0.455 CB 1.553 45 residues pruned to eliminate duplicates Z: 54 35.969 2.078 0.733 0.520 0.887 0.509 CB 1.518 54 residues pruned to eliminate duplicates Z: 35 35.458 2.124 0.843 0.647 0.912 0.735 CB 1.486 35 residues pruned to eliminate duplicates Z: 57 35.178 2.066 0.693 0.520 0.857 0.536 CB 1.537 57 residues pruned to eliminate duplicates Z: 33 37.862 2.118 0.895 0.697 0.969 0.781 CB 1.439 33 residues pruned to eliminate duplicates Z: 33 31.026 2.129 0.715 0.680 0.906 0.625 CB 1.405 33 residues pruned to eliminate duplicates Z: 51 39.502 2.120 0.772 0.567 0.940 0.680 CA 1.483 51 residues pruned to eliminate duplicates Z: 6 5.416 1.321 1.059 0.482 1.000 0.600 C 0.906 6 1.989 1.482 0.360 0.322 0.800 0.400 CA 0.671 ? Z: 6 7.788 1.754 1.050 0.333 0.800 0.400 CB 1.453 6 residues pruned to eliminate duplicates Z: 25 19.013 2.093 0.660 0.507 0.833 0.708 CB 1.332 25 residues pruned to eliminate duplicates Z: 22 19.757 2.049 0.582 0.547 0.905 0.619 CB 1.404 22 residues pruned to eliminate duplicates Z: 10 15.658 1.999 0.904 0.679 0.889 0.556 CB 1.308 10 residues pruned to eliminate duplicates Z: 25 23.443 2.078 0.808 0.542 0.917 0.625 CB 1.335 25 residues pruned to eliminate duplicates Z: 24 19.399 2.074 0.573 0.523 0.913 0.609 CB 1.328 24 residues pruned to eliminate duplicates Z: 23 19.111 2.054 0.559 0.561 0.909 0.545 CA 1.320 23 residues pruned to eliminate duplicates Z: 13 16.476 2.093 0.612 0.509 1.000 0.583 CB 1.397 13 residues pruned to eliminate duplicates Z: 25 18.808 2.075 0.566 0.503 0.875 0.625 CB 1.346 25 residues pruned to eliminate duplicates Z: 19 22.793 2.145 0.860 0.572 0.944 0.722 CB 1.330 19 residues pruned to eliminate duplicates Z: 26 14.614 2.031 0.392 0.461 0.840 0.480 CB 1.281 26 residues pruned to eliminate duplicates Z: 21 21.456 2.105 0.696 0.575 0.950 0.600 CB 1.316 21 residues pruned to eliminate duplicates Z: 11 9.893 1.983 0.329 0.509 0.900 0.700 CA 1.308 11 residues pruned to eliminate duplicates Z: 25 18.623 2.062 0.540 0.516 0.917 0.667 CB 1.285 25 residues pruned to eliminate duplicates Z: 7 11.309 2.168 0.670 0.542 0.833 0.667 CB 1.469 7 residues pruned to eliminate duplicates Z: 13 8.037 1.885 0.591 0.446 0.750 0.417 CB 1.090 13 residues pruned to eliminate duplicates Z: 25 16.636 1.997 0.729 0.509 0.833 0.583 CB 1.170 25 residues pruned to eliminate duplicates Z: 12 12.392 2.030 0.759 0.439 0.909 0.545 CB 1.227 12 residues pruned to eliminate duplicates Z: 30 15.918 1.959 0.617 0.469 0.828 0.552 CB 1.164 30 residues pruned to eliminate duplicates Z: 14 10.593 1.939 0.804 0.454 0.769 0.385 CB 1.145 14 residues pruned to eliminate duplicates Z: 26 18.465 2.007 0.764 0.471 0.880 0.480 CB 1.221 26 residues pruned to eliminate duplicates Z: 27 30.155 2.057 0.644 0.580 1.000 0.692 CB 1.619 27 residues pruned to eliminate duplicates Z: 30 40.743 2.263 0.672 0.764 1.000 0.759 CA 1.582 31 residues pruned to eliminate duplicates Z: 6 3.555 1.390 0.886 0.464 0.800 0.400 CA 0.786 6 residues pruned to eliminate duplicates Z: 31 37.434 2.237 0.663 0.737 1.000 0.900 CA 1.485 31 residues pruned to eliminate duplicates Z: 21 32.853 2.272 0.649 0.703 1.000 0.750 CA 1.630 21 residues pruned to eliminate duplicates Z: 43 42.315 2.202 0.621 0.741 1.000 0.786 CA 1.475 30 residues pruned to eliminate duplicates Z: 22 37.118 2.337 0.498 0.891 1.000 0.810 CB 1.663 22 residues pruned to eliminate duplicates Z: 31 39.860 2.259 0.625 0.747 1.000 0.533 CA 1.590 31 residues pruned to eliminate duplicates Z: 30 42.342 2.275 0.704 0.745 1.000 0.690 CA 1.630 30 residues pruned to eliminate duplicates Z: 66 41.066 2.175 0.579 0.603 0.954 0.569 CB 1.410 66 residues pruned to eliminate duplicates Z: 42 37.089 2.209 0.673 0.608 0.902 0.537 CB 1.567 31 residues pruned to eliminate duplicates Z: 21 41.172 2.375 0.662 0.924 1.000 0.600 CB 1.639 21 residues pruned to eliminate duplicates Z: 30 44.422 2.295 0.708 0.772 1.000 0.552 CA 1.655 30 residues pruned to eliminate duplicates Z: 33 38.094 2.205 0.720 0.705 0.969 0.594 CB 1.522 33 residues pruned to eliminate duplicates Z: 25 31.768 2.137 0.787 0.631 0.958 0.500 CA 1.567 25 residues pruned to eliminate duplicates Z: 44 39.431 2.186 0.554 0.711 0.977 0.698 CA 1.496 44 residues pruned to eliminate duplicates Z: 66 42.421 2.146 0.551 0.609 1.000 0.662 CB 1.426 66 residues pruned to eliminate duplicates Z: 31 37.489 2.251 0.586 0.730 0.967 0.633 CA 1.612 31 residues pruned to eliminate duplicates Z: 33 39.938 2.213 0.702 0.731 1.000 0.688 CB 1.523 33 residues pruned to eliminate duplicates Z: 66 46.347 2.165 0.730 0.614 0.954 0.600 CB 1.445 66 residues pruned to eliminate duplicates Z: 67 48.179 2.168 0.783 0.613 0.955 0.727 CB 1.444 67 residues pruned to eliminate duplicates Z: 43 45.260 2.198 0.665 0.736 1.000 0.690 CB 1.544 43 residues pruned to eliminate duplicates Z: 66 42.253 2.167 0.702 0.615 0.908 0.600 CB 1.403 66 residues pruned to eliminate duplicates Z: 44 47.051 2.188 0.754 0.720 1.000 0.744 CA 1.533 44 residues pruned to eliminate duplicates Z: 43 42.176 2.194 0.649 0.707 0.976 0.643 CB 1.526 43 residues pruned to eliminate duplicates Z: 43 46.141 2.194 0.795 0.730 0.976 0.571 CA 1.506 43 residues pruned to eliminate duplicates Z: 30 39.498 2.268 0.728 0.736 1.000 0.621 CA 1.513 30 residues pruned to eliminate duplicates Z: 44 42.744 2.187 0.639 0.716 1.000 0.698 CB 1.495 44 residues pruned to eliminate duplicates Z: 44 41.338 2.160 0.758 0.712 0.930 0.651 CA 1.472 44 residues pruned to eliminate duplicates Z: 68 46.977 2.150 0.808 0.594 0.940 0.642 CB 1.435 68 residues pruned to eliminate duplicates Z: 44 42.745 2.179 0.641 0.709 1.000 0.698 CB 1.507 44 residues pruned to eliminate duplicates Z: 44 46.112 2.198 0.819 0.712 0.953 0.651 CB 1.522 44 residues pruned to eliminate duplicates Z: 45 47.204 2.155 0.888 0.706 0.977 0.614 CA 1.483 45 residues pruned to eliminate duplicates Z: 44 44.380 2.177 0.771 0.706 0.953 0.628 CA 1.527 44 residues pruned to eliminate duplicates Z: 66 41.469 2.118 0.767 0.558 0.923 0.554 CB 1.407 66 residues pruned to eliminate duplicates Z: 46 43.215 2.157 0.709 0.704 0.978 0.622 CB 1.484 46 residues pruned to eliminate duplicates Z: 54 46.364 2.163 0.726 0.633 0.981 0.585 CB 1.534 54 residues pruned to eliminate duplicates Z: 14 13.031 1.960 0.728 0.647 0.769 0.538 CB 1.210 14 residues pruned to eliminate duplicates Z: 62 48.200 2.171 0.851 0.603 0.951 0.525 CB 1.464 62 residues pruned to eliminate duplicates Z: 67 43.144 2.151 0.811 0.593 0.894 0.561 CB 1.395 67 residues pruned to eliminate duplicates Z: 66 48.875 2.184 0.858 0.605 0.954 0.569 CB 1.417 66 residues pruned to eliminate duplicates Z: 25 19.594 2.112 0.857 0.458 0.917 0.417 CB 1.161 25 residues pruned to eliminate duplicates Z: 23 20.018 2.174 0.785 0.431 0.909 0.455 CB 1.300 23 residues pruned to eliminate duplicates Z: 36 25.785 2.115 0.767 0.518 0.914 0.514 CB 1.253 36 residues pruned to eliminate duplicates Z: 21 17.406 2.154 0.843 0.439 0.900 0.450 CB 1.160 21 residues pruned to eliminate duplicates Z: 70 43.958 2.124 0.687 0.589 0.942 0.507 CB 1.439 70 residues pruned to eliminate duplicates Z: 24 19.054 2.102 0.919 0.366 0.913 0.435 CB 1.245 24 residues pruned to eliminate duplicates Z: 20 18.909 2.140 0.988 0.391 0.947 0.579 CB 1.209 20 residues pruned to eliminate duplicates Z: 21 17.291 2.062 0.928 0.384 0.900 0.500 CB 1.222 21 residues pruned to eliminate duplicates Z: 31 16.165 1.995 0.892 0.353 0.800 0.333 CB 1.146 31 residues pruned to eliminate duplicates Z: 21 21.023 2.139 0.909 0.461 0.950 0.600 CB 1.261 21 residues pruned to eliminate duplicates Z: 24 16.149 2.109 0.801 0.404 0.870 0.565 CB 1.128 24 residues pruned to eliminate duplicates Z: 25 20.184 2.077 1.039 0.405 0.917 0.625 CB 1.173 15 residues pruned to eliminate duplicates Z: 7 3.471 1.417 0.801 0.463 0.667 0.667 N 0.865 7 residues pruned to eliminate duplicates Z: 12 8.810 2.091 0.686 0.519 0.818 0.727 CB 0.904 12 residues pruned to eliminate duplicates Z: 19 6.481 1.834 0.559 0.360 0.833 0.556 CB 0.745 19 residues pruned to eliminate duplicates Z: 7 9.350 2.173 0.520 0.520 0.833 0.500 CB 1.360 Z: 9 7.396 1.763 0.272 0.630 0.875 0.500 CA 1.179 13 residues pruned to eliminate duplicates Z: 7 5.594 1.402 0.729 0.446 1.000 0.833 C 0.996 7 residues pruned to eliminate duplicates Z: 9 14.760 1.877 0.705 0.613 1.000 0.875 CB 1.465 9 residues pruned to eliminate duplicates 618 residues left after pruning, divided into chains as follows: A: 9 B: 6 C: 7 D: 6 E: 7 F: 9 G: 9 H: 13 I: 9 J: 6 K: 10 L: 33 M: 9 N: 7 O: 20 P: 13 Q: 29 R: 15 S: 26 T: 10 U: 9 V: 18 W: 35 X: 58 Y: 40 Z: 52 Z: 61 Z: 13 Z: 48 Z: 31 CC for partial structure against native data = 23.50 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.396, Connect. = 0.684 for dens.mod. cycle 1 = 0.300, Contrast = 0.459, Connect. = 0.709 for dens.mod. cycle 2 = 0.300, Contrast = 0.537, Connect. = 0.743 for dens.mod. cycle 3 = 0.300, Contrast = 0.545, Connect. = 0.748 for dens.mod. cycle 4 = 0.300, Contrast = 0.554, Connect. = 0.752 for dens.mod. cycle 5 = 0.300, Contrast = 0.559, Connect. = 0.755 for dens.mod. cycle 6 = 0.300, Contrast = 0.563, Connect. = 0.758 for dens.mod. cycle 7 = 0.300, Contrast = 0.566, Connect. = 0.760 for dens.mod. cycle 8 = 0.300, Contrast = 0.568, Connect. = 0.762 for dens.mod. cycle 9 = 0.300, Contrast = 0.569, Connect. = 0.763 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6482 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1248 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 35 21.017 2.014 0.429 0.440 0.882 0.559 CA 1.510 B: 10 16.163 2.012 0.533 0.572 1.000 0.778 CA 1.629 C: 21 31.602 2.182 0.334 0.930 1.000 1.000 CB 1.698 D: 21 32.407 2.236 0.457 0.907 1.000 0.700 CB 1.581 E: 27 14.080 1.978 0.349 0.329 0.885 0.500 CB 1.412 F: 24 25.580 1.882 0.471 0.893 1.000 0.913 CA 1.383 22 residues pruned to eliminate duplicates G: 35 23.662 1.980 0.493 0.499 0.912 0.676 CB 1.508 35 residues pruned to eliminate duplicates H: 18 31.367 2.119 0.757 0.898 1.000 0.882 CB 1.462 17 residues pruned to eliminate duplicates I: 21 28.075 2.152 0.545 0.915 0.900 0.600 CB 1.482 J: 22 35.804 2.261 0.440 0.913 1.000 0.762 CB 1.699 22 residues pruned to eliminate duplicates K: 35 20.748 1.979 0.372 0.466 0.882 0.529 CA 1.537 34 residues pruned to eliminate duplicates L: 21 37.462 2.333 0.532 0.927 1.000 0.800 CB 1.643 22 residues pruned to eliminate duplicates M: 15 19.439 1.972 0.619 0.921 1.000 0.500 CA 1.145 N: 11 9.946 2.064 0.610 0.368 0.900 0.400 CB 1.211 O: 21 33.918 2.089 0.850 0.888 0.950 0.500 CB 1.488 23 residues pruned to eliminate duplicates P: 13 14.076 1.870 0.623 0.774 0.917 0.667 CB 1.146 Q: 11 13.687 2.118 0.674 0.587 0.800 0.700 CB 1.404 R: 20 41.118 2.183 0.825 0.941 1.000 0.789 CB 1.643 21 residues pruned to eliminate duplicates S: 29 24.818 2.014 0.698 0.507 0.929 0.607 CA 1.467 T: 20 37.648 2.153 0.735 0.919 0.947 0.579 CB 1.721 19 residues pruned to eliminate duplicates U: 9 13.528 2.008 0.324 0.893 1.000 0.875 CA 1.292 V: 22 32.780 2.165 0.499 0.920 1.000 0.810 CA 1.551 21 residues pruned to eliminate duplicates W: 10 18.834 1.780 1.058 0.837 1.000 0.778 CA 1.282 X: 10 9.172 1.873 0.369 0.480 0.889 0.556 CB 1.369 Y: 15 12.812 1.946 0.526 0.884 0.786 0.500 CA 1.060 15 residues pruned to eliminate duplicates Z: 21 38.263 2.360 0.614 0.926 1.000 0.650 CB 1.575 21 residues pruned to eliminate duplicates Z: 23 34.121 2.045 0.669 0.914 1.000 0.773 CB 1.506 23 residues pruned to eliminate duplicates Z: 21 38.458 2.334 0.567 0.926 0.950 0.550 CB 1.736 21 residues pruned to eliminate duplicates Z: 34 22.946 2.080 0.438 0.461 0.909 0.697 CA 1.529 36 residues pruned to eliminate duplicates Z: 11 17.692 2.084 0.483 0.692 0.900 0.800 CB 1.687 11 residues pruned to eliminate duplicates Z: 22 33.065 2.223 0.575 0.918 1.000 0.762 CB 1.454 22 residues pruned to eliminate duplicates Z: 10 16.962 1.767 1.167 0.842 0.889 0.778 CA 1.238 10 residues pruned to eliminate duplicates Z: 21 40.095 2.205 0.843 0.929 1.000 0.850 CB 1.544 21 residues pruned to eliminate duplicates Z: 23 20.918 2.194 0.746 0.369 0.864 0.636 CB 1.552 Z: 8 6.772 1.886 0.403 0.502 0.714 0.714 CB 1.352 8 residues pruned to eliminate duplicates Z: 9 12.458 1.972 0.299 0.580 1.000 0.750 CA 1.592 Z: 12 10.214 1.938 0.660 0.503 0.818 0.455 CA 1.167 Z: 7 5.618 1.770 0.336 0.783 0.833 0.833 CB 0.908 Z: 17 32.253 2.129 0.960 0.895 0.938 0.688 CB 1.478 17 residues pruned to eliminate duplicates Z: 19 34.308 2.252 0.829 0.933 0.944 0.722 CB 1.451 21 residues pruned to eliminate duplicates Z: 7 9.318 2.045 0.809 0.610 0.833 0.833 CA 1.112 6 residues pruned to eliminate duplicates Z: 7 2.774 1.710 -0.017 0.343 0.667 0.500 CB 1.199 Z: 21 38.407 2.310 0.700 0.930 1.000 0.550 CB 1.530 21 residues pruned to eliminate duplicates Z: 17 23.441 2.031 0.673 0.916 1.000 0.562 CA 1.218 13 residues pruned to eliminate duplicates Z: 23 25.847 2.006 0.347 0.925 1.000 0.909 CA 1.431 22 residues pruned to eliminate duplicates Z: 13 9.493 1.991 0.661 0.202 0.750 0.250 CA 1.574 13 residues pruned to eliminate duplicates Z: 21 30.905 2.193 0.542 0.932 1.000 0.800 CB 1.427 21 residues pruned to eliminate duplicates Z: 13 8.860 2.064 0.220 0.429 0.833 0.583 CB 1.312 Z: 16 33.052 2.289 0.606 0.927 1.000 0.600 CB 1.628 16 residues pruned to eliminate duplicates Z: 6 3.571 1.656 0.535 0.387 0.800 0.600 CB 0.885 Z: 21 40.898 2.352 0.753 0.929 0.950 0.550 CB 1.634 22 residues pruned to eliminate duplicates Z: 20 31.869 2.138 0.630 0.921 1.000 0.789 CB 1.477 20 residues pruned to eliminate duplicates Z: 18 23.109 2.127 0.454 0.899 0.882 0.824 CB 1.468 18 residues pruned to eliminate duplicates Z: 11 19.797 2.113 0.964 0.593 1.000 0.700 CB 1.380 Z: 15 12.529 1.825 0.294 0.664 1.000 0.714 CA 1.218 15 residues pruned to eliminate duplicates Z: 20 33.550 2.135 0.918 0.909 0.947 0.737 CB 1.408 20 residues pruned to eliminate duplicates Z: 25 13.831 1.856 0.477 0.434 0.875 0.542 CB 1.260 Z: 33 17.969 2.080 0.488 0.344 0.906 0.500 CB 1.342 27 residues pruned to eliminate duplicates Z: 23 34.080 2.054 0.669 0.932 1.000 0.864 CB 1.480 23 residues pruned to eliminate duplicates Z: 12 21.691 2.309 0.280 0.931 1.000 0.909 CB 1.547 12 residues pruned to eliminate duplicates Z: 16 12.910 1.971 0.539 0.329 0.867 0.267 CB 1.529 11 residues pruned to eliminate duplicates Z: 11 6.879 1.716 0.604 0.441 0.800 0.300 CB 1.050 6 residues pruned to eliminate duplicates Z: 15 17.481 2.085 0.388 0.872 0.929 0.786 CA 1.267 14 residues pruned to eliminate duplicates Z: 20 26.231 2.171 0.544 0.902 0.895 0.632 CB 1.431 20 residues pruned to eliminate duplicates Z: 10 9.929 1.841 0.314 0.777 0.889 0.444 CA 1.206 9 residues pruned to eliminate duplicates Z: 10 19.885 2.011 0.664 0.883 1.000 0.556 CB 1.433 10 residues pruned to eliminate duplicates Z: 61 37.628 2.109 0.538 0.577 0.933 0.700 CA 1.490 53 residues pruned to eliminate duplicates Z: 35 24.933 1.954 0.579 0.536 0.941 0.588 CB 1.421 12 residues pruned to eliminate duplicates Z: 13 11.551 1.961 0.295 0.899 1.000 0.750 CB 0.938 13 residues pruned to eliminate duplicates Z: 27 14.387 1.872 0.385 0.486 0.846 0.577 CB 1.304 23 residues pruned to eliminate duplicates Z: 26 19.367 2.023 0.618 0.381 0.880 0.640 CB 1.528 31 residues pruned to eliminate duplicates Z: 19 22.352 2.167 0.339 0.919 0.944 0.889 CB 1.355 19 residues pruned to eliminate duplicates Z: 22 50.839 2.262 1.058 0.936 1.000 0.857 CB 1.659 21 residues pruned to eliminate duplicates Z: 17 24.969 1.947 0.694 0.797 1.000 0.688 CA 1.459 17 residues pruned to eliminate duplicates Z: 9 8.046 1.558 0.786 0.397 0.875 0.625 CA 1.302 Z: 36 25.038 2.003 0.569 0.464 0.943 0.686 CB 1.482 34 residues pruned to eliminate duplicates Z: 46 38.536 2.093 0.570 0.728 0.978 0.867 CB 1.455 35 residues pruned to eliminate duplicates Z: 9 13.039 1.959 1.117 0.511 0.875 0.750 CB 1.256 15 residues pruned to eliminate duplicates Z: 9 7.587 1.898 0.383 0.580 0.875 0.750 CA 1.081 Z: 56 39.660 2.131 0.612 0.589 0.945 0.691 CA 1.512 56 residues pruned to eliminate duplicates Z: 23 20.423 1.927 0.268 0.914 1.000 0.818 CA 1.259 23 residues pruned to eliminate duplicates Z: 12 8.636 1.935 0.224 0.534 0.909 0.636 CA 1.170 8 residues pruned to eliminate duplicates Z: 11 8.649 1.829 0.518 0.431 0.800 0.600 N 1.323 Z: 16 24.213 2.242 0.336 0.901 0.933 0.867 CB 1.596 16 residues pruned to eliminate duplicates Z: 10 17.012 1.900 0.852 0.908 1.000 0.889 CB 1.145 Z: 11 18.387 2.113 0.736 0.602 1.000 0.600 CA 1.438 11 residues pruned to eliminate duplicates Z: 55 37.467 2.130 0.597 0.573 0.926 0.704 CA 1.509 55 residues pruned to eliminate duplicates Z: 13 10.498 1.795 0.451 0.417 0.917 0.750 CB 1.384 Z: 21 22.808 2.116 0.702 0.596 0.900 0.700 CA 1.436 21 residues pruned to eliminate duplicates Z: 9 4.655 1.594 0.223 0.742 0.750 0.625 CB 0.906 Z: 13 9.249 1.983 0.675 0.267 0.750 0.333 CB 1.397 Z: 14 6.467 1.680 0.474 0.258 0.769 0.308 CB 1.243 14 residues pruned to eliminate duplicates Z: 15 15.394 2.017 0.788 0.825 0.714 0.286 CB 1.205 15 residues pruned to eliminate duplicates Z: 26 15.878 2.004 0.428 0.392 0.880 0.400 CB 1.414 25 residues pruned to eliminate duplicates Z: 6 2.819 1.262 0.869 0.517 0.600 0.400 C 0.876 Z: 21 15.717 1.933 0.397 0.433 0.900 0.650 CA 1.551 21 residues pruned to eliminate duplicates Z: 8 8.275 1.795 0.255 0.623 0.857 0.571 CA 1.442 10 residues pruned to eliminate duplicates Z: 11 13.579 2.017 0.766 0.589 1.000 0.700 CB 1.107 11 residues pruned to eliminate duplicates Z: 15 19.656 1.988 0.675 0.888 0.929 0.857 CA 1.224 15 residues pruned to eliminate duplicates Z: 9 12.848 1.957 0.314 0.625 1.000 0.750 CA 1.570 9 residues pruned to eliminate duplicates Z: 22 26.956 2.094 0.324 0.927 1.000 0.952 CA 1.486 22 residues pruned to eliminate duplicates Z: 14 10.656 2.088 0.339 0.462 0.769 0.462 CB 1.428 13 residues pruned to eliminate duplicates Z: 10 10.456 1.720 0.546 0.623 0.889 0.556 CB 1.313 9 residues pruned to eliminate duplicates Z: 22 23.741 2.035 0.508 0.897 1.000 0.762 CB 1.209 22 residues pruned to eliminate duplicates Z: 6 4.412 1.835 0.234 0.654 0.800 0.800 N 0.944 7 residues pruned to eliminate duplicates Z: 11 10.405 1.875 0.507 0.435 0.900 0.700 CA 1.384 12 residues pruned to eliminate duplicates Z: 12 8.880 1.874 0.477 0.381 0.818 0.545 CA 1.342 Z: 8 5.441 1.812 0.309 0.609 0.714 0.714 CB 1.095 Z: 16 7.837 2.056 0.450 0.362 0.733 0.533 CB 1.073 16 residues pruned to eliminate duplicates Z: 20 27.156 2.130 0.586 0.905 0.947 0.737 CB 1.385 20 residues pruned to eliminate duplicates Z: 17 9.790 1.938 0.288 0.329 0.875 0.500 CB 1.352 16 residues pruned to eliminate duplicates Z: 23 22.097 2.153 0.800 0.424 0.955 0.545 CB 1.378 27 residues pruned to eliminate duplicates Z: 37 34.940 2.160 0.531 0.768 0.972 0.694 CB 1.428 37 residues pruned to eliminate duplicates Z: 35 21.366 1.979 0.366 0.483 0.971 0.647 CB 1.420 35 residues pruned to eliminate duplicates Z: 10 11.253 2.037 0.293 0.606 1.000 0.667 CB 1.287 10 residues pruned to eliminate duplicates Z: 10 8.721 1.804 0.264 0.903 1.000 0.889 CB 0.909 10 residues pruned to eliminate duplicates Z: 24 25.604 2.191 0.760 0.477 0.913 0.696 CB 1.551 23 residues pruned to eliminate duplicates Z: 11 7.431 1.863 0.601 0.415 0.700 0.200 CB 1.230 11 residues pruned to eliminate duplicates Z: 10 5.476 1.663 0.473 0.375 0.889 0.667 N 0.959 10 residues pruned to eliminate duplicates Z: 14 10.319 1.896 0.302 0.432 0.923 0.692 CB 1.349 Z: 21 20.763 1.975 0.342 0.909 1.000 0.750 CA 1.243 20 residues pruned to eliminate duplicates Z: 18 21.573 2.107 0.728 0.573 0.824 0.647 CA 1.626 15 residues pruned to eliminate duplicates Z: 6 2.257 1.418 0.751 0.290 0.600 0.400 CA 0.858 Z: 15 8.500 1.882 0.140 0.397 0.857 0.500 CB 1.377 15 residues pruned to eliminate duplicates Z: 13 10.077 1.948 0.485 0.478 0.833 0.583 CB 1.234 13 residues pruned to eliminate duplicates Z: 25 16.524 1.975 0.517 0.427 0.875 0.708 CA 1.388 25 residues pruned to eliminate duplicates Z: 7 2.468 1.756 -0.337 0.574 0.833 0.833 CB 0.967 7 residues pruned to eliminate duplicates Z: 7 8.178 1.843 0.354 0.518 0.833 0.667 C 1.578 Z: 17 33.212 2.212 0.955 0.874 0.875 0.688 CB 1.597 17 residues pruned to eliminate duplicates Z: 10 11.246 1.781 0.549 0.638 0.889 0.667 CB 1.343 10 residues pruned to eliminate duplicates Z: 16 17.110 1.989 0.899 0.500 0.933 0.600 CB 1.253 6 residues pruned to eliminate duplicates Z: 19 25.695 2.008 0.781 0.914 0.944 0.611 CA 1.268 21 residues pruned to eliminate duplicates Z: 20 35.513 2.142 0.933 0.923 1.000 0.526 CB 1.383 19 residues pruned to eliminate duplicates Z: 13 10.301 1.981 0.691 0.300 0.917 0.417 CB 1.210 12 residues pruned to eliminate duplicates Z: 7 8.370 1.686 0.677 0.650 0.833 0.667 CA 1.261 Z: 22 34.567 2.212 0.486 0.887 1.000 0.810 CB 1.655 22 residues pruned to eliminate duplicates Z: 6 4.423 1.336 0.332 0.786 1.000 0.600 N 0.864 Z: 19 19.547 2.113 0.122 0.909 1.000 0.889 CB 1.379 19 residues pruned to eliminate duplicates Z: 21 35.651 2.285 0.548 0.921 0.950 0.550 CB 1.669 21 residues pruned to eliminate duplicates Z: 60 32.466 2.053 0.430 0.618 0.898 0.695 CA 1.433 60 residues pruned to eliminate duplicates Z: 39 13.733 1.985 0.452 0.294 0.711 0.421 CB 1.370 27 residues pruned to eliminate duplicates Z: 8 5.685 1.848 0.133 0.422 0.714 0.286 CA 1.559 8 residues pruned to eliminate duplicates Z: 36 37.980 2.230 0.556 0.793 0.943 0.857 CB 1.518 36 residues pruned to eliminate duplicates Z: 11 9.891 1.805 0.371 0.555 0.900 0.700 CA 1.331 12 residues pruned to eliminate duplicates Z: 34 15.742 2.047 0.479 0.339 0.788 0.424 CB 1.370 34 residues pruned to eliminate duplicates Z: 18 30.292 2.127 0.868 0.896 0.941 0.647 CB 1.407 18 residues pruned to eliminate duplicates Z: 9 9.260 1.655 0.482 0.600 1.000 0.750 CB 1.213 9 residues pruned to eliminate duplicates Z: 33 14.359 1.997 0.360 0.293 0.875 0.562 CB 1.348 32 residues pruned to eliminate duplicates Z: 59 35.603 2.051 0.618 0.555 0.879 0.724 CA 1.518 59 residues pruned to eliminate duplicates Z: 16 33.598 2.095 0.889 0.904 1.000 0.667 CB 1.561 16 residues pruned to eliminate duplicates Z: 8 16.868 2.059 0.791 0.486 1.000 0.571 CB 1.754 8 residues pruned to eliminate duplicates Z: 22 41.808 2.247 0.848 0.910 1.000 0.667 CB 1.558 22 residues pruned to eliminate duplicates Z: 75 46.068 2.161 0.707 0.565 0.946 0.554 CB 1.441 85 residues pruned to eliminate duplicates Z: 10 9.497 1.686 0.426 0.614 1.000 0.778 CA 1.182 Z: 19 17.302 1.915 0.718 0.504 0.889 0.611 CA 1.389 16 residues pruned to eliminate duplicates Z: 10 12.485 2.029 0.466 0.658 1.000 1.000 CB 1.208 10 residues pruned to eliminate duplicates Z: 43 42.184 2.187 0.641 0.716 1.000 0.833 CA 1.491 43 residues pruned to eliminate duplicates Z: 11 10.194 1.982 0.336 0.524 0.900 0.500 CB 1.320 Z: 22 15.079 2.010 0.547 0.352 0.905 0.571 CB 1.373 22 residues pruned to eliminate duplicates Z: 16 7.626 1.666 0.063 0.479 1.000 0.667 CB 1.135 Z: 8 9.680 1.865 0.615 0.635 0.714 0.571 N 1.497 9 residues pruned to eliminate duplicates Z: 8 3.244 1.582 -0.013 0.361 0.857 0.429 N 1.064 5 residues pruned to eliminate duplicates Z: 26 15.956 1.946 0.507 0.370 0.920 0.480 CB 1.360 26 residues pruned to eliminate duplicates Z: 20 22.708 1.980 0.698 0.803 0.895 0.421 CA 1.329 18 residues pruned to eliminate duplicates Z: 8 9.713 1.795 0.692 0.506 0.857 0.571 CA 1.402 Z: 35 17.097 1.989 0.481 0.334 0.882 0.500 CB 1.353 35 residues pruned to eliminate duplicates Z: 32 21.956 2.035 0.489 0.477 0.903 0.677 CA 1.475 32 residues pruned to eliminate duplicates Z: 34 14.319 2.018 0.372 0.302 0.848 0.545 CB 1.324 34 residues pruned to eliminate duplicates Z: 10 8.394 1.778 0.252 0.831 0.889 0.667 CA 1.063 10 residues pruned to eliminate duplicates Z: 24 26.336 2.204 0.849 0.417 0.957 0.565 CB 1.537 24 residues pruned to eliminate duplicates Z: 35 25.050 2.038 0.542 0.523 0.882 0.647 CA 1.514 35 residues pruned to eliminate duplicates Z: 11 8.500 1.778 0.452 0.501 0.800 0.600 CB 1.300 11 residues pruned to eliminate duplicates Z: 11 15.649 1.903 0.526 0.881 0.900 0.700 CB 1.371 10 residues pruned to eliminate duplicates Z: 20 38.774 2.184 0.834 0.900 1.000 0.842 CB 1.586 20 residues pruned to eliminate duplicates Z: 35 22.955 1.999 0.412 0.490 0.941 0.676 CA 1.496 35 residues pruned to eliminate duplicates Z: 8 16.610 2.048 0.558 0.829 1.000 0.571 CA 1.481 8 residues pruned to eliminate duplicates Z: 7 7.818 1.858 0.561 0.712 0.833 0.500 CA 1.090 Z: 17 25.165 2.103 0.678 0.601 0.938 0.625 CA 1.727 17 residues pruned to eliminate duplicates Z: 12 10.030 1.852 0.405 0.461 0.818 0.545 C 1.479 7 residues pruned to eliminate duplicates Z: 10 4.862 1.670 0.178 0.375 0.889 0.556 CB 1.059 Z: 8 12.718 1.925 0.895 0.695 1.000 0.857 CB 1.103 8 residues pruned to eliminate duplicates Z: 14 14.355 1.825 0.486 0.706 1.000 0.692 CB 1.217 14 residues pruned to eliminate duplicates Z: 7 3.931 1.689 0.587 0.696 0.833 0.833 CB 0.601 Z: 30 19.853 1.976 0.662 0.447 0.931 0.655 CB 1.273 12 residues pruned to eliminate duplicates Z: 36 19.787 1.970 0.401 0.443 0.886 0.657 CA 1.450 36 residues pruned to eliminate duplicates Z: 17 30.583 2.226 0.599 0.928 1.000 0.750 CB 1.504 17 residues pruned to eliminate duplicates Z: 19 20.931 2.147 0.383 0.861 0.944 0.889 CB 1.293 19 residues pruned to eliminate duplicates Z: 9 9.413 1.820 0.783 0.376 1.000 0.500 CB 1.171 Z: 22 39.201 2.252 0.629 0.933 1.000 0.905 CB 1.628 22 residues pruned to eliminate duplicates Z: 8 21.812 2.257 0.642 0.726 1.000 0.857 CB 1.814 9 residues pruned to eliminate duplicates Z: 17 31.217 2.239 0.594 0.929 1.000 0.750 CB 1.530 17 residues pruned to eliminate duplicates Z: 9 3.390 1.391 0.279 0.565 0.750 0.500 CB 0.843 Z: 25 14.391 2.038 0.381 0.421 0.875 0.542 CB 1.295 25 residues pruned to eliminate duplicates Z: 6 7.023 2.126 0.124 0.526 0.800 0.600 CA 1.602 6 residues pruned to eliminate duplicates Z: 15 8.614 1.645 0.764 0.387 0.786 0.357 CB 1.138 14 residues pruned to eliminate duplicates Z: 6 14.893 1.963 0.604 0.799 1.000 1.000 CA 1.629 6 residues pruned to eliminate duplicates Z: 7 5.455 1.678 0.731 0.423 0.667 0.667 CB 1.247 Z: 19 9.053 1.720 0.398 0.370 0.833 0.333 CB 1.223 13 residues pruned to eliminate duplicates Z: 6 2.425 1.548 0.185 0.297 0.600 0.400 CB 1.237 Z: 34 15.372 1.992 0.331 0.319 0.879 0.394 CB 1.403 20 residues pruned to eliminate duplicates Z: 8 17.523 2.078 0.776 0.550 1.000 0.714 CA 1.709 8 residues pruned to eliminate duplicates Z: 19 16.472 1.966 0.852 0.426 0.889 0.611 CB 1.296 21 residues pruned to eliminate duplicates Z: 12 11.634 1.697 0.598 0.458 1.000 0.909 CA 1.350 12 residues pruned to eliminate duplicates Z: 9 8.877 1.692 0.573 0.484 0.875 0.750 CB 1.370 9 residues pruned to eliminate duplicates Z: 10 7.464 1.715 0.220 0.766 0.889 0.444 CB 1.057 9 residues pruned to eliminate duplicates Z: 23 42.489 2.069 0.963 0.926 1.000 0.864 CB 1.564 22 residues pruned to eliminate duplicates Z: 31 23.307 1.991 0.633 0.447 0.900 0.600 CA 1.536 28 residues pruned to eliminate duplicates Z: 9 10.995 1.694 0.700 0.735 1.000 0.625 CB 1.093 6 residues pruned to eliminate duplicates Z: 8 10.920 1.910 0.672 0.544 0.857 0.857 N 1.444 11 residues pruned to eliminate duplicates Z: 9 6.042 1.759 0.776 0.427 0.875 0.375 CB 0.844 Z: 11 9.486 1.853 0.785 0.359 0.800 0.500 CB 1.320 9 residues pruned to eliminate duplicates Z: 36 27.078 2.012 0.600 0.502 0.914 0.543 CA 1.551 36 residues pruned to eliminate duplicates Z: 11 6.731 1.656 0.448 0.551 0.800 0.600 CA 1.056 11 residues pruned to eliminate duplicates Z: 7 7.015 1.982 0.880 0.411 0.833 0.667 CA 1.012 7 residues pruned to eliminate duplicates Z: 10 11.654 2.033 0.064 0.889 1.000 1.000 CA 1.293 10 residues pruned to eliminate duplicates Z: 32 25.722 1.970 0.566 0.758 1.000 0.871 CA 1.190 32 residues pruned to eliminate duplicates Z: 6 4.744 2.012 -0.025 0.780 0.800 0.600 CB 1.056 6 residues pruned to eliminate duplicates Z: 30 13.371 2.069 0.426 0.389 0.724 0.414 CB 1.308 30 residues pruned to eliminate duplicates Z: 13 8.936 2.077 0.433 0.285 0.750 0.417 CA 1.472 20 residues pruned to eliminate duplicates Z: 8 4.100 1.804 0.504 0.560 0.857 0.714 CB 0.628 8 residues pruned to eliminate duplicates Z: 23 31.856 2.044 0.570 0.897 0.955 0.909 CA 1.587 23 residues pruned to eliminate duplicates Z: 17 21.789 2.111 0.658 0.608 0.875 0.500 CA 1.605 17 residues pruned to eliminate duplicates Z: 22 23.588 2.063 0.234 0.876 1.000 0.905 CA 1.469 22 residues pruned to eliminate duplicates Z: 9 3.150 1.531 0.058 0.344 0.750 0.500 CB 1.086 Z: 16 5.639 1.709 0.306 0.251 0.800 0.400 CB 1.086 16 residues pruned to eliminate duplicates Z: 8 8.710 1.887 0.207 0.596 0.857 0.571 CB 1.539 8 residues pruned to eliminate duplicates Z: 21 22.607 1.985 0.790 0.915 0.900 0.450 CA 1.117 21 residues pruned to eliminate duplicates Z: 16 7.882 1.791 0.200 0.344 0.800 0.400 N 1.403 16 residues pruned to eliminate duplicates Z: 12 6.385 1.795 0.206 0.309 0.818 0.545 CB 1.344 Z: 18 28.502 2.227 0.568 0.918 1.000 0.882 CB 1.395 18 residues pruned to eliminate duplicates Z: 11 12.641 2.034 0.559 0.502 1.000 0.600 CB 1.258 12 residues pruned to eliminate duplicates Z: 11 14.913 2.147 0.463 0.858 1.000 0.700 CB 1.106 11 residues pruned to eliminate duplicates Z: 19 10.062 1.687 0.535 0.334 0.889 0.667 CB 1.236 18 residues pruned to eliminate duplicates Z: 20 26.884 2.048 0.675 0.851 0.947 0.895 CB 1.405 20 residues pruned to eliminate duplicates Z: 34 25.165 2.019 0.709 0.478 0.879 0.697 CA 1.478 34 residues pruned to eliminate duplicates Z: 16 12.858 1.844 0.248 0.731 0.933 0.600 CB 1.256 17 residues pruned to eliminate duplicates Z: 21 34.899 2.110 0.753 0.899 0.900 0.750 CA 1.675 21 residues pruned to eliminate duplicates Z: 14 4.610 1.566 0.324 0.264 0.923 0.385 CB 0.875 8 residues pruned to eliminate duplicates Z: 7 7.482 2.005 0.908 0.351 0.833 0.500 CA 1.126 7 residues pruned to eliminate duplicates Z: 7 8.452 1.860 0.244 0.640 1.000 0.500 CB 1.308 8 residues pruned to eliminate duplicates Z: 10 4.489 1.464 0.347 0.464 0.778 0.444 CB 1.013 Z: 11 11.473 1.807 0.667 0.402 0.900 0.400 CB 1.483 11 residues pruned to eliminate duplicates Z: 32 35.310 2.148 0.600 0.747 0.968 0.742 CA 1.530 32 residues pruned to eliminate duplicates Z: 6 5.254 1.947 0.067 0.553 0.800 0.600 CB 1.342 6 residues pruned to eliminate duplicates Z: 6 9.583 2.030 0.128 0.765 1.000 0.600 CA 1.480 7 residues pruned to eliminate duplicates Z: 9 15.032 2.122 0.575 0.718 1.000 0.625 CA 1.306 12 residues pruned to eliminate duplicates Z: 21 47.149 2.369 0.846 0.952 1.000 0.750 CB 1.661 21 residues pruned to eliminate duplicates Z: 9 15.432 2.178 0.475 0.745 0.875 0.625 CB 1.559 9 residues pruned to eliminate duplicates Z: 16 10.036 1.927 0.544 0.385 0.867 0.600 CB 1.135 16 residues pruned to eliminate duplicates Z: 6 2.170 1.474 0.531 0.401 0.600 0.400 O 0.796 6 1.938 1.483 -0.194 0.298 0.800 0.600 N 1.136 ? Z: 26 11.076 1.864 0.277 0.357 0.920 0.640 CB 1.181 22 residues pruned to eliminate duplicates Z: 6 7.930 1.679 0.667 0.675 1.000 0.800 CB 1.078 Z: 21 39.024 2.178 0.738 0.882 1.000 0.700 CB 1.667 21 residues pruned to eliminate duplicates Z: 44 38.531 2.146 0.532 0.697 0.977 0.698 CA 1.528 44 residues pruned to eliminate duplicates Z: 28 12.894 1.933 0.437 0.337 0.852 0.519 CB 1.252 28 residues pruned to eliminate duplicates Z: 6 4.268 1.625 0.398 0.306 1.000 0.400 N 1.042 Z: 28 16.055 1.749 0.682 0.537 0.889 0.593 CB 1.139 38 residues pruned to eliminate duplicates Z: 6 9.442 1.870 0.977 0.577 0.800 0.600 CB 1.326 Z: 8 3.330 1.463 0.655 0.387 0.857 0.286 CB 0.684 6 residues pruned to eliminate duplicates Z: 8 10.345 2.062 0.576 0.608 1.000 0.714 CB 1.086 7 residues pruned to eliminate duplicates Z: 11 6.463 1.617 0.805 0.332 0.800 0.500 N 1.052 Z: 20 15.413 1.965 0.742 0.315 0.947 0.474 CA 1.338 19 residues pruned to eliminate duplicates Z: 13 6.926 1.730 0.190 0.382 0.917 0.583 CB 1.200 11 residues pruned to eliminate duplicates Z: 7 5.064 1.812 0.481 0.365 0.833 0.500 CB 1.070 Z: 8 5.572 1.577 0.041 0.614 1.000 0.571 CA 1.152 8 residues pruned to eliminate duplicates Z: 14 8.770 1.813 0.498 0.519 0.846 0.692 CA 1.039 14 residues pruned to eliminate duplicates Z: 17 11.075 1.956 0.612 0.312 0.812 0.438 CA 1.330 17 residues pruned to eliminate duplicates Z: 10 8.337 1.768 0.651 0.593 0.778 0.778 CA 1.119 11 residues pruned to eliminate duplicates Z: 17 11.693 1.977 0.360 0.377 0.875 0.562 CB 1.416 17 residues pruned to eliminate duplicates Z: 6 12.787 2.000 0.706 0.787 0.800 0.800 CA 1.628 6 residues pruned to eliminate duplicates Z: 12 24.473 2.310 0.608 0.886 0.818 0.273 CB 1.752 12 residues pruned to eliminate duplicates Z: 35 21.614 1.979 0.629 0.428 0.853 0.529 CB 1.452 42 residues pruned to eliminate duplicates Z: 11 4.072 1.750 0.462 0.548 0.800 0.600 CB 0.601 11 residues pruned to eliminate duplicates Z: 6 5.396 1.860 0.122 0.623 1.000 0.600 CB 1.029 6 residues pruned to eliminate duplicates Z: 35 15.413 2.025 0.488 0.282 0.853 0.471 CB 1.315 32 residues pruned to eliminate duplicates Z: 14 14.117 2.081 0.169 0.885 1.000 0.846 CA 1.162 14 residues pruned to eliminate duplicates Z: 9 14.545 2.086 0.133 0.860 1.000 0.875 CA 1.600 9 residues pruned to eliminate duplicates Z: 9 7.546 1.627 0.456 0.512 1.000 0.625 CB 1.113 9 residues pruned to eliminate duplicates 6 1.407 1.368 0.277 0.340 0.600 0.600 CB 0.714 ? Z: 43 39.495 2.200 0.507 0.725 0.976 0.738 CB 1.537 43 residues pruned to eliminate duplicates Z: 17 25.654 2.172 0.469 0.900 1.000 0.812 CB 1.435 17 residues pruned to eliminate duplicates Z: 7 4.457 1.376 0.617 0.782 0.833 0.667 CA 0.766 7 residues pruned to eliminate duplicates Z: 20 27.547 2.137 0.424 0.914 1.000 0.737 CB 1.469 20 residues pruned to eliminate duplicates Z: 22 15.961 1.943 0.590 0.463 0.905 0.667 CA 1.293 22 residues pruned to eliminate duplicates Z: 13 7.227 1.694 0.436 0.568 0.833 0.500 CA 0.964 13 residues pruned to eliminate duplicates Z: 12 13.024 1.936 0.333 0.497 1.000 0.545 CA 1.525 12 residues pruned to eliminate duplicates Z: 6 7.672 2.030 0.292 0.591 0.800 0.600 CA 1.499 6 residues pruned to eliminate duplicates Z: 11 6.878 1.799 0.734 0.731 0.900 0.700 CB 0.629 7 residues pruned to eliminate duplicates Z: 8 12.448 1.831 0.791 0.763 1.000 0.714 CA 1.136 8 residues pruned to eliminate duplicates Z: 6 7.669 1.968 0.495 0.586 0.800 0.600 CA 1.343 6 residues pruned to eliminate duplicates Z: 6 4.861 1.827 0.039 0.455 1.000 0.600 CA 1.200 6 residues pruned to eliminate duplicates Z: 21 9.104 1.814 0.330 0.336 0.800 0.450 CB 1.261 21 residues pruned to eliminate duplicates Z: 6 6.582 1.853 0.593 0.764 1.000 1.000 CB 0.789 6 residues pruned to eliminate duplicates Z: 6 3.002 1.367 0.195 0.475 1.000 0.600 CB 0.842 Z: 42 32.541 2.135 0.506 0.609 0.902 0.683 CB 1.579 59 residues pruned to eliminate duplicates Z: 22 22.805 2.222 0.745 0.395 0.952 0.571 CB 1.506 22 residues pruned to eliminate duplicates Z: 7 5.361 1.650 0.200 0.502 0.833 0.833 CB 1.324 7 residues pruned to eliminate duplicates Z: 6 6.199 1.548 0.283 0.731 1.000 0.800 O 1.133 Z: 11 3.113 1.691 -0.173 0.292 0.700 0.400 CA 1.269 Z: 14 7.579 1.589 0.504 0.292 0.846 0.538 C 1.313 14 residues pruned to eliminate duplicates Z: 23 32.507 2.045 0.588 0.914 1.000 0.864 CB 1.509 23 residues pruned to eliminate duplicates Z: 18 26.324 2.066 0.768 0.906 1.000 0.471 CA 1.243 18 residues pruned to eliminate duplicates Z: 44 40.528 2.149 0.615 0.695 1.000 0.721 CB 1.490 44 residues pruned to eliminate duplicates Z: 19 8.701 1.632 0.438 0.475 0.778 0.667 CB 1.152 9 residues pruned to eliminate duplicates Z: 13 7.286 1.868 0.425 0.497 0.750 0.500 CA 1.056 13 residues pruned to eliminate duplicates Z: 11 7.099 1.850 0.320 0.505 0.800 0.600 CB 1.144 11 residues pruned to eliminate duplicates Z: 15 5.016 1.533 0.100 0.408 0.786 0.500 CB 1.115 Z: 6 8.526 1.570 0.787 0.754 1.000 1.000 CB 1.084 Z: 10 10.516 1.755 0.524 0.562 0.889 0.778 CA 1.389 11 residues pruned to eliminate duplicates Z: 10 9.148 1.821 0.973 0.406 0.889 0.444 CB 1.053 Z: 9 6.602 1.728 0.216 0.550 0.875 0.625 CB 1.209 11 residues pruned to eliminate duplicates Z: 20 22.101 2.038 0.302 0.943 1.000 0.895 CA 1.324 20 residues pruned to eliminate duplicates Z: 8 10.018 1.715 0.713 0.886 1.000 0.429 CB 0.931 8 residues pruned to eliminate duplicates Z: 14 6.840 1.871 0.251 0.564 0.692 0.615 CB 1.100 14 residues pruned to eliminate duplicates Z: 7 5.285 2.010 0.513 0.176 0.833 0.500 CB 1.259 7 residues pruned to eliminate duplicates Z: 31 26.036 2.000 0.870 0.515 0.867 0.567 CB 1.445 33 residues pruned to eliminate duplicates Z: 11 3.315 1.793 0.040 0.380 0.900 0.600 CB 0.710 11 residues pruned to eliminate duplicates Z: 7 4.248 1.576 0.246 0.490 0.833 0.500 CB 1.071 Z: 6 6.945 1.763 0.002 0.771 1.000 0.600 CB 1.383 Z: 8 8.338 1.799 0.394 0.877 1.000 0.857 CB 0.913 8 residues pruned to eliminate duplicates Z: 15 10.923 1.785 0.692 0.373 0.857 0.429 CA 1.292 16 residues pruned to eliminate duplicates Z: 18 10.336 1.683 0.573 0.562 0.824 0.706 CA 1.083 18 residues pruned to eliminate duplicates Z: 18 12.329 2.028 0.535 0.259 0.824 0.294 CB 1.537 18 residues pruned to eliminate duplicates Z: 11 7.124 1.905 0.586 0.495 0.800 0.700 CB 0.936 9 residues pruned to eliminate duplicates Z: 7 4.027 1.479 0.348 0.393 0.833 0.667 CA 1.109 5 residues pruned to eliminate duplicates Z: 20 6.993 1.702 0.479 0.264 0.684 0.474 N 1.219 20 residues pruned to eliminate duplicates Z: 9 3.877 1.679 0.563 0.341 0.750 0.375 CA 0.828 9 residues pruned to eliminate duplicates Z: 6 4.799 1.619 0.158 0.361 1.000 0.600 N 1.329 Z: 21 10.880 1.828 0.389 0.430 0.850 0.550 CB 1.212 21 residues pruned to eliminate duplicates Z: 8 4.529 1.709 0.020 0.325 0.857 0.286 CB 1.388 8 residues pruned to eliminate duplicates Z: 18 12.293 1.748 0.485 0.584 0.941 0.647 CB 1.126 18 residues pruned to eliminate duplicates Z: 17 9.853 1.759 0.582 0.446 0.688 0.500 CB 1.362 14 residues pruned to eliminate duplicates Z: 8 7.624 1.864 0.062 0.844 1.000 1.000 CB 1.084 8 residues pruned to eliminate duplicates Z: 10 10.004 1.907 0.791 0.529 1.000 0.556 CA 0.949 10 residues pruned to eliminate duplicates Z: 8 8.960 1.989 0.608 0.451 0.857 0.571 CA 1.299 8 residues pruned to eliminate duplicates Z: 9 3.823 1.538 0.201 0.364 0.750 0.375 CB 1.129 Z: 8 11.054 2.014 0.561 0.738 1.000 0.857 CB 1.073 13 residues pruned to eliminate duplicates Z: 11 4.896 1.844 0.286 0.335 0.800 0.600 CB 0.978 11 residues pruned to eliminate duplicates Z: 10 4.233 1.514 0.220 0.394 0.778 0.444 CB 1.098 Z: 19 38.740 2.234 1.095 0.893 0.944 0.500 CB 1.482 19 residues pruned to eliminate duplicates Z: 6 4.285 1.657 0.317 0.792 0.600 0.400 O 1.133 6 residues pruned to eliminate duplicates Z: 49 36.494 2.150 0.671 0.560 0.896 0.750 CA 1.544 49 residues pruned to eliminate duplicates Z: 7 8.526 1.890 0.370 0.605 1.000 0.667 CB 1.217 7 residues pruned to eliminate duplicates Z: 22 10.576 1.943 0.259 0.434 0.857 0.619 CB 1.178 22 residues pruned to eliminate duplicates Z: 18 24.210 2.032 0.655 0.913 0.941 0.471 CA 1.313 18 residues pruned to eliminate duplicates Z: 35 21.383 2.092 0.643 0.393 0.853 0.647 CA 1.400 35 residues pruned to eliminate duplicates Z: 8 9.653 1.994 0.421 0.516 0.857 0.571 CB 1.479 8 residues pruned to eliminate duplicates Z: 9 7.146 1.602 0.499 0.581 0.875 0.375 CA 1.113 21 residues pruned to eliminate duplicates Z: 28 19.579 1.999 0.604 0.354 0.852 0.481 CA 1.616 28 residues pruned to eliminate duplicates Z: 24 19.052 2.177 0.657 0.389 0.913 0.565 CB 1.357 24 residues pruned to eliminate duplicates Z: 10 3.713 1.766 0.387 0.373 0.556 0.444 CB 1.042 10 residues pruned to eliminate duplicates Z: 18 9.202 1.817 0.295 0.483 0.882 0.412 CB 1.094 18 residues pruned to eliminate duplicates Z: 12 5.346 1.534 0.083 0.437 0.818 0.636 CA 1.265 9 residues pruned to eliminate duplicates Z: 19 11.834 1.939 0.428 0.401 0.778 0.500 CB 1.437 19 residues pruned to eliminate duplicates Z: 9 18.420 2.125 0.682 0.744 1.000 0.625 CB 1.465 9 residues pruned to eliminate duplicates Z: 47 36.058 2.164 0.538 0.670 0.957 0.652 CB 1.427 47 residues pruned to eliminate duplicates Z: 16 33.347 2.258 1.188 0.858 0.867 0.400 CB 1.481 16 residues pruned to eliminate duplicates Z: 8 6.803 1.681 0.197 0.457 1.000 0.429 CA 1.335 6 residues pruned to eliminate duplicates Z: 6 2.420 1.527 -0.251 0.471 0.800 0.600 CB 1.218 Z: 18 29.968 2.201 0.825 0.929 0.941 0.412 CB 1.346 18 residues pruned to eliminate duplicates Z: 33 16.152 1.835 0.350 0.492 0.906 0.625 CB 1.282 33 residues pruned to eliminate duplicates Z: 11 8.283 1.742 1.354 0.621 0.900 0.700 CB 0.633 11 residues pruned to eliminate duplicates Z: 8 12.449 1.722 0.506 0.844 1.000 0.714 CA 1.350 8 residues pruned to eliminate duplicates Z: 8 2.937 1.391 0.190 0.508 0.857 0.714 CB 0.777 8 residues pruned to eliminate duplicates Z: 7 5.391 1.625 0.360 0.575 0.833 0.667 CB 1.112 Z: 13 8.791 1.762 0.364 0.400 0.917 0.833 CB 1.280 13 residues pruned to eliminate duplicates Z: 6 4.090 1.380 0.720 0.818 0.800 0.800 CA 0.731 Z: 19 17.411 1.964 0.700 0.472 0.944 0.667 CB 1.338 19 residues pruned to eliminate duplicates Z: 11 3.801 1.774 -0.044 0.377 0.800 0.400 CA 1.010 11 residues pruned to eliminate duplicates Z: 24 16.259 2.021 0.429 0.550 0.913 0.565 CB 1.224 22 residues pruned to eliminate duplicates Z: 7 9.578 2.000 0.396 0.579 1.000 0.667 CA 1.298 7 residues pruned to eliminate duplicates Z: 15 9.056 1.680 0.429 0.456 0.929 0.786 CA 1.135 15 residues pruned to eliminate duplicates Z: 15 17.320 1.863 0.573 0.528 1.000 0.714 CB 1.536 16 residues pruned to eliminate duplicates Z: 12 11.479 1.999 0.442 0.340 1.000 0.636 CB 1.429 13 residues pruned to eliminate duplicates Z: 6 10.143 1.897 0.490 0.618 1.000 0.800 CA 1.436 6 residues pruned to eliminate duplicates Z: 22 10.702 1.931 0.522 0.368 0.714 0.381 CB 1.282 22 residues pruned to eliminate duplicates Z: 19 16.962 1.995 0.698 0.477 0.889 0.611 CB 1.359 19 residues pruned to eliminate duplicates Z: 7 11.543 1.913 0.770 0.510 0.833 0.833 N 1.654 7 residues pruned to eliminate duplicates Z: 10 5.360 1.764 0.757 0.208 0.667 0.333 CA 1.221 7 residues pruned to eliminate duplicates Z: 11 17.400 2.246 0.202 0.915 1.000 0.800 CB 1.441 11 residues pruned to eliminate duplicates Z: 11 7.092 1.874 0.435 0.350 0.800 0.500 CB 1.228 11 residues pruned to eliminate duplicates Z: 7 4.393 1.683 0.511 0.462 0.833 0.500 CB 0.880 Z: 23 17.715 2.032 0.449 0.453 0.909 0.682 CB 1.481 23 residues pruned to eliminate duplicates Z: 29 15.667 2.003 0.493 0.313 0.893 0.500 CB 1.364 28 residues pruned to eliminate duplicates Z: 19 9.951 1.735 0.587 0.287 0.833 0.556 CB 1.299 20 residues pruned to eliminate duplicates Z: 9 5.315 1.604 0.531 0.415 0.750 0.375 N 1.115 Z: 53 45.557 2.187 0.679 0.645 0.962 0.596 CB 1.563 53 residues pruned to eliminate duplicates Z: 6 7.092 1.618 0.656 0.638 1.000 1.000 CB 1.039 15 residues pruned to eliminate duplicates Z: 8 18.664 2.075 0.809 0.743 1.000 0.857 CA 1.512 8 residues pruned to eliminate duplicates Z: 18 14.654 2.040 0.495 0.401 0.882 0.529 CA 1.467 18 residues pruned to eliminate duplicates Z: 7 8.535 1.611 0.825 0.632 1.000 0.833 CA 1.047 7 residues pruned to eliminate duplicates Z: 15 6.882 1.785 0.173 0.395 0.857 0.643 CB 1.145 15 residues pruned to eliminate duplicates Z: 9 6.713 1.734 0.386 0.361 1.000 0.500 CA 1.147 9 residues pruned to eliminate duplicates Z: 10 9.104 1.729 1.012 0.543 0.889 0.556 CB 0.941 10 residues pruned to eliminate duplicates Z: 10 8.183 1.658 0.347 0.631 1.000 0.889 CA 1.080 11 residues pruned to eliminate duplicates Z: 27 12.725 1.875 0.296 0.419 0.923 0.654 CB 1.210 27 residues pruned to eliminate duplicates Z: 12 12.737 1.727 0.770 0.460 0.909 0.727 CB 1.440 12 residues pruned to eliminate duplicates 6 1.468 1.597 -0.159 0.438 0.800 0.600 CB 0.651 ? Z: 13 11.146 1.905 0.396 0.384 1.000 0.583 CB 1.368 13 residues pruned to eliminate duplicates Z: 10 13.438 1.913 0.631 0.674 0.889 0.667 CB 1.376 10 residues pruned to eliminate duplicates Z: 7 3.619 1.656 0.157 0.511 0.667 0.333 CA 1.145 7 residues pruned to eliminate duplicates Z: 14 15.834 2.071 0.595 0.578 0.923 0.692 CB 1.337 14 residues pruned to eliminate duplicates Z: 7 5.070 1.414 0.336 0.534 1.000 0.833 CB 1.060 7 residues pruned to eliminate duplicates Z: 6 2.846 1.446 0.115 0.405 1.000 0.400 CA 0.873 Z: 12 7.813 1.833 0.448 0.397 0.909 0.636 CB 1.088 12 residues pruned to eliminate duplicates 6 1.900 1.390 -0.068 0.453 0.800 0.600 CA 0.860 ? Z: 10 4.506 1.608 0.507 0.270 0.667 0.333 CB 1.207 5 residues pruned to eliminate duplicates Z: 10 5.611 1.847 0.254 0.356 0.667 0.444 CB 1.415 10 residues pruned to eliminate duplicates Z: 18 23.594 2.012 0.657 0.883 1.000 0.471 CA 1.242 18 residues pruned to eliminate duplicates Z: 17 8.546 1.628 0.628 0.364 0.875 0.438 CB 1.066 15 residues pruned to eliminate duplicates Z: 6 9.083 1.722 0.464 0.752 1.000 0.600 CA 1.286 6 residues pruned to eliminate duplicates Z: 13 17.306 1.917 0.371 0.896 1.000 0.917 CA 1.362 13 residues pruned to eliminate duplicates Z: 11 4.546 1.653 0.608 0.263 0.600 0.300 CB 1.182 Z: 6 4.944 1.463 0.098 0.764 1.000 0.600 N 1.089 6 residues pruned to eliminate duplicates Z: 23 37.227 2.064 0.965 0.886 0.955 0.591 CB 1.479 23 residues pruned to eliminate duplicates Z: 28 21.907 1.999 0.528 0.434 0.963 0.667 CA 1.534 28 residues pruned to eliminate duplicates Z: 19 33.130 2.233 0.873 0.930 0.944 0.389 CB 1.382 21 residues pruned to eliminate duplicates Z: 7 3.764 1.409 -0.010 0.554 1.000 0.833 CA 1.045 7 residues pruned to eliminate duplicates Z: 6 6.383 2.017 0.094 0.714 1.000 0.800 CB 1.065 6 residues pruned to eliminate duplicates Z: 9 3.945 1.695 0.095 0.422 0.750 0.500 CB 1.086 9 residues pruned to eliminate duplicates Z: 15 8.901 1.928 0.254 0.417 0.857 0.643 CB 1.253 15 residues pruned to eliminate duplicates Z: 7 2.601 1.666 0.106 0.283 0.667 0.333 CB 1.105 7 residues pruned to eliminate duplicates Z: 15 11.621 1.777 0.523 0.374 0.857 0.571 CA 1.532 15 residues pruned to eliminate duplicates Z: 23 18.498 1.951 0.491 0.746 1.000 0.864 CA 1.089 23 residues pruned to eliminate duplicates Z: 7 2.059 1.132 1.241 0.334 0.667 0.667 N 0.596 Z: 9 7.173 1.563 0.571 0.520 0.875 0.625 CA 1.157 7 residues pruned to eliminate duplicates Z: 11 2.914 1.481 0.657 0.263 0.500 0.200 CB 0.985 6 1.175 1.472 -0.011 0.457 0.400 0.400 CB 0.943 ? Z: 24 11.751 1.843 0.416 0.469 0.870 0.478 CB 1.114 24 residues pruned to eliminate duplicates Z: 11 8.262 1.970 0.156 0.406 1.000 0.600 CA 1.267 11 residues pruned to eliminate duplicates Z: 6 2.168 1.471 0.510 0.430 0.600 0.600 N 0.782 Z: 9 6.469 1.678 0.470 0.464 0.750 0.500 CA 1.282 14 residues pruned to eliminate duplicates Z: 6 2.819 1.334 1.007 0.299 0.600 0.600 CB 0.982 Z: 15 15.412 2.114 0.800 0.478 0.786 0.571 CB 1.409 15 residues pruned to eliminate duplicates Z: 9 10.919 1.891 0.699 0.561 0.875 0.750 CB 1.295 Z: 7 3.558 1.438 0.909 0.549 0.667 0.667 CA 0.756 Z: 15 4.199 1.464 0.638 0.215 0.714 0.429 CB 0.916 13 residues pruned to eliminate duplicates Z: 8 5.984 1.507 0.249 0.588 0.857 0.571 C 1.288 Z: 17 11.484 1.875 0.548 0.624 0.750 0.625 CB 1.174 17 residues pruned to eliminate duplicates Z: 8 9.312 1.954 0.347 0.744 0.857 0.714 CB 1.254 8 residues pruned to eliminate duplicates Z: 12 10.257 1.878 0.217 0.537 1.000 0.909 CA 1.305 15 residues pruned to eliminate duplicates Z: 6 5.380 1.881 0.376 0.410 0.800 0.600 CA 1.276 6 residues pruned to eliminate duplicates Z: 11 3.767 1.502 0.028 0.344 0.800 0.500 CA 1.143 11 residues pruned to eliminate duplicates Z: 8 11.950 1.889 0.771 0.833 0.857 0.429 CA 1.181 8 residues pruned to eliminate duplicates Z: 6 2.221 1.353 0.202 0.360 0.800 0.600 N 0.887 Z: 28 19.888 1.976 0.421 0.775 1.000 0.815 CA 1.069 28 residues pruned to eliminate duplicates Z: 11 12.918 1.868 0.660 0.451 1.000 0.700 CB 1.385 11 residues pruned to eliminate duplicates Z: 13 8.110 1.829 0.604 0.262 0.750 0.250 CA 1.396 13 residues pruned to eliminate duplicates Z: 16 5.406 1.729 0.456 0.290 0.733 0.333 CA 0.956 16 residues pruned to eliminate duplicates Z: 7 4.776 1.414 0.204 0.536 1.000 0.500 CB 1.106 Z: 10 10.376 1.860 0.291 0.446 1.000 0.778 CA 1.522 10 residues pruned to eliminate duplicates Z: 18 13.527 2.029 0.387 0.359 0.882 0.529 CA 1.539 18 residues pruned to eliminate duplicates Z: 8 9.609 1.748 0.416 0.702 0.857 0.571 CB 1.425 8 residues pruned to eliminate duplicates Z: 24 23.660 2.156 0.318 0.698 0.957 0.913 CA 1.515 24 residues pruned to eliminate duplicates Z: 10 3.244 1.562 0.215 0.233 0.667 0.444 CB 1.166 Z: 8 3.666 1.475 0.484 0.412 0.857 0.571 CB 0.810 Z: 9 12.076 2.021 0.244 0.681 1.000 1.000 CB 1.438 9 residues pruned to eliminate duplicates Z: 8 10.140 2.022 0.682 0.496 1.000 0.714 CB 1.131 8 residues pruned to eliminate duplicates Z: 9 11.549 1.912 0.412 0.540 1.000 0.875 N 1.455 9 residues pruned to eliminate duplicates Z: 6 3.578 1.870 0.080 0.360 0.800 0.600 CA 1.152 6 residues pruned to eliminate duplicates Z: 6 4.746 1.424 0.349 0.385 1.000 0.600 N 1.248 Z: 6 5.726 1.648 0.807 0.560 1.000 0.800 CA 0.811 7 residues pruned to eliminate duplicates Z: 6 4.631 1.470 0.003 0.715 1.000 0.800 O 1.156 Z: 33 20.678 2.061 0.462 0.433 0.844 0.594 CB 1.541 33 residues pruned to eliminate duplicates Z: 11 6.957 1.829 0.677 0.524 0.800 0.800 CB 0.876 11 residues pruned to eliminate duplicates Z: 7 2.425 1.126 0.789 0.427 1.000 0.500 CA 0.530 Z: 12 18.089 1.890 0.571 0.610 1.000 0.818 N 1.655 12 residues pruned to eliminate duplicates Z: 6 2.380 1.785 -0.015 0.368 0.800 0.400 CB 0.872 Z: 10 8.922 1.967 0.551 0.469 0.889 0.778 CA 1.132 10 residues pruned to eliminate duplicates Z: 12 4.186 1.558 0.690 0.174 0.727 0.455 N 0.978 Z: 31 16.413 1.856 0.434 0.397 0.867 0.600 CA 1.448 31 residues pruned to eliminate duplicates Z: 7 3.861 1.517 0.244 0.446 0.833 0.667 N 1.059 Z: 36 28.799 2.068 0.693 0.507 0.914 0.571 CA 1.510 37 residues pruned to eliminate duplicates Z: 19 33.698 2.194 0.682 0.871 0.944 0.667 CB 1.663 19 residues pruned to eliminate duplicates Z: 9 4.494 1.670 0.220 0.403 0.625 0.625 CB 1.382 17 residues pruned to eliminate duplicates Z: 24 16.284 2.053 0.346 0.358 0.913 0.478 CB 1.568 24 residues pruned to eliminate duplicates Z: 9 7.136 1.817 0.280 0.390 0.875 0.500 CB 1.393 9 residues pruned to eliminate duplicates Z: 6 4.550 1.315 0.606 0.652 0.800 0.400 CA 1.046 Z: 11 6.396 1.640 -0.016 0.474 1.000 0.500 CB 1.287 12 residues pruned to eliminate duplicates Z: 8 5.279 1.477 0.505 0.438 0.857 0.571 O 1.116 8 residues pruned to eliminate duplicates Z: 11 14.444 1.775 0.594 0.887 1.000 0.800 CB 1.164 11 residues pruned to eliminate duplicates Z: 6 7.244 1.671 0.667 0.543 1.000 0.800 CB 1.115 Z: 14 8.889 1.720 0.248 0.410 0.923 0.692 CB 1.368 10 residues pruned to eliminate duplicates Z: 10 3.709 1.585 0.601 0.166 0.778 0.222 CB 0.941 10 residues pruned to eliminate duplicates Z: 17 5.154 1.777 0.350 0.204 0.688 0.375 CB 1.110 17 residues pruned to eliminate duplicates 8 1.318 1.583 0.405 0.214 0.571 0.286 CB 0.549 ? Z: 9 5.265 1.581 0.303 0.366 0.875 0.250 CB 1.192 7 residues pruned to eliminate duplicates Z: 9 12.332 1.957 0.501 0.493 1.000 0.500 CB 1.495 9 residues pruned to eliminate duplicates Z: 8 6.276 1.764 -0.026 0.467 1.000 0.286 CB 1.428 8 residues pruned to eliminate duplicates Z: 12 4.861 1.421 0.393 0.412 0.909 0.364 CB 0.893 7 residues pruned to eliminate duplicates Z: 11 5.337 1.598 0.749 0.352 0.800 0.300 CB 0.886 11 residues pruned to eliminate duplicates Z: 22 38.450 2.099 0.829 0.949 1.000 0.952 CB 1.509 22 residues pruned to eliminate duplicates Z: 7 2.805 1.350 -0.080 0.465 0.833 0.500 N 1.146 Z: 20 9.283 1.852 0.369 0.419 0.737 0.526 CB 1.240 19 residues pruned to eliminate duplicates Z: 6 6.507 1.739 0.758 0.480 0.800 0.600 N 1.214 6 residues pruned to eliminate duplicates Z: 8 3.918 1.599 0.105 0.333 0.857 0.286 CA 1.174 Z: 17 15.067 1.898 0.671 0.520 0.875 0.625 CB 1.331 17 residues pruned to eliminate duplicates Z: 6 4.656 1.495 0.383 0.618 0.800 0.600 CB 1.126 9 residues pruned to eliminate duplicates Z: 8 5.648 1.466 0.313 0.515 0.857 0.571 CA 1.275 4 residues pruned to eliminate duplicates Z: 8 8.000 1.566 0.525 0.562 1.000 0.714 CB 1.193 Z: 7 4.107 1.635 0.102 0.413 0.833 0.500 CB 1.223 Z: 7 13.285 2.042 0.573 0.498 1.000 0.667 N 1.692 7 residues pruned to eliminate duplicates Z: 7 8.877 1.536 0.752 0.852 1.000 1.000 CA 0.996 7 residues pruned to eliminate duplicates Z: 8 4.118 1.608 0.301 0.407 0.714 0.429 CA 1.148 8 residues pruned to eliminate duplicates Z: 14 14.116 1.973 0.628 0.472 0.846 0.385 CB 1.483 14 residues pruned to eliminate duplicates Z: 13 5.756 1.746 0.571 0.541 0.917 0.667 CB 0.635 13 residues pruned to eliminate duplicates Z: 11 5.376 1.580 0.181 0.479 0.700 0.700 CB 1.330 11 residues pruned to eliminate duplicates 8 1.755 1.185 0.702 0.204 0.714 0.429 CB 0.654 ? Z: 7 3.723 1.477 0.467 0.247 1.000 0.833 CB 0.939 Z: 7 2.568 1.547 0.295 0.429 0.667 0.500 CB 0.845 Z: 19 19.831 2.081 0.294 0.919 0.944 0.722 CB 1.296 19 residues pruned to eliminate duplicates Z: 7 12.343 1.709 1.149 0.753 1.000 0.833 CB 1.094 Z: 24 14.607 1.884 0.459 0.473 0.913 0.783 CB 1.247 24 residues pruned to eliminate duplicates Z: 6 4.991 1.520 0.220 0.672 1.000 0.800 N 1.027 6 residues pruned to eliminate duplicates 6 1.935 1.130 0.353 0.298 1.000 0.600 N 0.709 ? Z: 13 10.907 1.847 0.763 0.478 0.917 0.750 CB 1.078 13 residues pruned to eliminate duplicates Z: 7 2.149 1.365 0.015 0.470 0.667 0.500 O 0.980 Z: 9 2.490 1.698 0.042 0.282 0.625 0.500 CB 1.018 9 residues pruned to eliminate duplicates Z: 10 6.725 1.670 0.906 0.407 0.778 0.556 CB 0.998 10 residues pruned to eliminate duplicates Z: 11 13.551 2.084 0.771 0.497 0.900 0.500 CB 1.294 11 residues pruned to eliminate duplicates Z: 19 16.533 1.924 0.390 0.560 0.944 0.722 CB 1.456 19 residues pruned to eliminate duplicates 6 1.755 1.531 0.275 0.467 0.600 0.600 CB 0.694 ? Z: 22 8.650 1.904 0.127 0.375 0.905 0.619 CB 1.111 22 residues pruned to eliminate duplicates Z: 10 6.275 1.669 0.263 0.505 0.889 0.444 CA 1.111 10 residues pruned to eliminate duplicates Z: 12 8.993 1.688 0.250 0.592 0.909 0.727 CB 1.295 12 residues pruned to eliminate duplicates Z: 6 2.158 1.410 0.528 0.259 0.800 0.200 CB 0.738 Z: 21 42.568 2.097 1.075 0.944 1.000 0.650 CB 1.514 21 residues pruned to eliminate duplicates Z: 38 27.863 2.008 0.484 0.609 0.919 0.676 CB 1.508 38 residues pruned to eliminate duplicates Z: 13 3.163 1.299 0.571 0.263 0.750 0.417 CB 0.782 Z: 18 11.313 1.819 0.325 0.386 0.941 0.765 CA 1.364 18 residues pruned to eliminate duplicates Z: 9 3.480 1.594 0.143 0.315 0.750 0.500 CB 1.105 Z: 6 2.586 1.398 0.898 0.295 0.600 0.400 CB 0.914 6 residues pruned to eliminate duplicates Z: 6 6.188 1.590 0.729 0.538 1.000 0.800 CB 0.970 Z: 7 2.008 1.465 0.336 0.223 0.667 0.500 N 0.868 Z: 9 4.356 1.345 0.838 0.319 0.750 0.125 CB 1.014 7 residues pruned to eliminate duplicates Z: 17 11.309 1.817 0.685 0.267 0.938 0.375 CB 1.285 17 residues pruned to eliminate duplicates Z: 12 3.661 1.447 0.084 0.227 0.818 0.273 CA 1.182 9 residues pruned to eliminate duplicates Z: 8 10.789 2.010 0.461 0.598 0.857 0.714 CA 1.476 8 residues pruned to eliminate duplicates Z: 8 5.919 1.671 0.119 0.686 1.000 0.714 CB 1.009 13 residues pruned to eliminate duplicates Z: 6 4.332 1.716 0.173 0.839 1.000 0.800 CB 0.719 Z: 9 11.306 1.809 0.733 0.661 1.000 0.875 CB 1.098 9 residues pruned to eliminate duplicates Z: 7 5.631 1.798 0.100 0.630 0.833 0.667 CB 1.234 6 1.770 1.244 0.161 0.286 1.000 0.800 CB 0.697 ? Z: 7 3.598 1.314 0.642 0.352 0.833 0.500 CB 0.959 Z: 6 3.645 1.647 -0.003 0.297 1.000 0.800 CA 1.246 Z: 9 3.103 1.615 0.101 0.194 0.750 0.250 CA 1.185 9 residues pruned to eliminate duplicates Z: 9 5.697 1.810 0.140 0.365 0.875 0.250 CB 1.290 9 residues pruned to eliminate duplicates Z: 11 5.623 1.474 0.711 0.318 0.900 0.200 CB 0.957 Z: 7 6.285 1.480 0.531 0.634 1.000 0.667 N 0.999 Z: 16 14.203 1.928 0.618 0.466 0.867 0.600 CA 1.403 16 residues pruned to eliminate duplicates Z: 11 5.861 1.813 0.376 0.227 0.900 0.600 CB 1.136 11 residues pruned to eliminate duplicates Z: 6 5.362 1.198 0.953 0.816 1.000 0.600 CA 0.779 Z: 18 9.543 1.805 0.371 0.284 0.882 0.353 CB 1.353 32 residues pruned to eliminate duplicates Z: 20 20.037 2.193 0.078 0.827 0.947 0.842 CB 1.547 20 residues pruned to eliminate duplicates Z: 24 29.191 2.053 0.553 0.900 0.957 0.652 CB 1.425 24 residues pruned to eliminate duplicates Z: 26 12.778 1.828 0.480 0.351 0.920 0.360 CB 1.207 26 residues pruned to eliminate duplicates Z: 6 6.746 1.897 0.189 0.616 1.000 0.800 CA 1.199 6 residues pruned to eliminate duplicates Z: 10 3.365 1.460 0.495 0.186 0.667 0.333 CA 1.124 10 residues pruned to eliminate duplicates Z: 10 8.761 1.675 0.809 0.432 0.889 0.667 CA 1.162 10 residues pruned to eliminate duplicates Z: 32 12.561 1.958 0.352 0.318 0.806 0.516 CA 1.292 32 residues pruned to eliminate duplicates Z: 16 7.490 2.001 0.075 0.316 0.733 0.400 CA 1.502 16 residues pruned to eliminate duplicates Z: 21 18.111 1.993 0.436 0.601 0.950 0.800 CB 1.353 21 residues pruned to eliminate duplicates 10 1.901 1.440 0.231 0.056 0.667 0.222 CB 0.965 ? Z: 11 18.533 2.058 0.893 0.619 1.000 0.700 CB 1.344 11 residues pruned to eliminate duplicates Z: 8 2.959 1.434 0.531 0.265 0.714 0.571 N 0.933 Z: 15 8.933 1.663 0.569 0.331 0.786 0.643 CA 1.402 15 residues pruned to eliminate duplicates Z: 20 13.321 1.942 0.463 0.549 0.895 0.737 CB 1.147 26 residues pruned to eliminate duplicates Z: 8 3.086 1.477 0.194 0.403 0.857 0.429 CB 0.856 Z: 7 2.551 1.593 0.221 0.169 0.833 0.667 CB 0.961 Z: 8 3.475 1.648 0.340 0.299 0.857 0.714 CB 0.868 6 residues pruned to eliminate duplicates Z: 27 17.564 1.956 0.424 0.412 0.923 0.538 CB 1.469 16 residues pruned to eliminate duplicates Z: 11 10.823 2.068 0.234 0.874 1.000 0.700 CB 0.976 11 residues pruned to eliminate duplicates Z: 13 6.057 1.655 0.207 0.361 0.833 0.417 CA 1.220 Z: 16 13.065 2.116 0.418 0.456 0.933 0.600 CB 1.260 22 residues pruned to eliminate duplicates Z: 8 5.509 1.875 -0.049 0.423 0.857 0.714 CB 1.475 8 residues pruned to eliminate duplicates Z: 9 2.082 1.123 0.252 0.320 0.750 0.250 O 0.851 Z: 11 5.312 1.892 0.056 0.409 0.900 0.400 CB 1.027 11 residues pruned to eliminate duplicates Z: 6 7.267 1.691 0.658 0.399 1.000 0.400 CB 1.290 6 residues pruned to eliminate duplicates Z: 15 9.321 1.887 0.292 0.398 0.857 0.643 CB 1.329 15 residues pruned to eliminate duplicates Z: 9 7.242 1.703 0.329 0.600 0.875 0.625 CB 1.175 10 residues pruned to eliminate duplicates Z: 13 4.544 1.656 0.184 0.334 0.750 0.500 CB 1.070 13 residues pruned to eliminate duplicates Z: 13 9.200 1.811 0.368 0.334 0.917 0.417 CB 1.401 7 residues pruned to eliminate duplicates Z: 16 11.259 1.826 0.366 0.600 0.933 0.667 CB 1.135 16 residues pruned to eliminate duplicates Z: 9 5.366 1.619 0.192 0.533 0.875 0.750 N 1.088 7 1.709 1.503 0.271 0.396 0.500 0.500 CB 0.815 ? Z: 10 19.764 2.003 0.612 0.761 1.000 0.778 CB 1.617 9 residues pruned to eliminate duplicates Z: 9 12.043 2.143 0.379 0.662 0.875 0.750 CB 1.417 9 residues pruned to eliminate duplicates Z: 11 5.327 1.946 0.077 0.254 0.800 0.400 CB 1.333 11 residues pruned to eliminate duplicates Z: 14 7.220 1.576 0.373 0.453 0.846 0.615 CB 1.148 14 residues pruned to eliminate duplicates Z: 12 13.665 1.905 0.922 0.834 0.909 0.545 CB 0.928 12 residues pruned to eliminate duplicates Z: 7 17.023 1.960 0.756 0.781 1.000 0.833 CB 1.577 6 residues pruned to eliminate duplicates Z: 10 4.960 1.520 0.691 0.387 0.778 0.444 CB 0.933 7 residues pruned to eliminate duplicates Z: 7 4.445 1.409 0.528 0.437 1.000 0.833 CB 0.899 5 residues pruned to eliminate duplicates Z: 23 18.158 2.083 0.464 0.545 0.909 0.682 CA 1.337 23 residues pruned to eliminate duplicates Z: 37 27.336 2.037 0.629 0.622 0.917 0.722 CA 1.335 37 residues pruned to eliminate duplicates Z: 10 13.520 1.868 0.569 0.465 1.000 0.778 CA 1.593 13 residues pruned to eliminate duplicates Z: 9 6.881 1.554 0.613 0.472 0.875 0.625 CA 1.140 9 residues pruned to eliminate duplicates Z: 6 3.837 1.561 -0.105 0.636 1.000 0.800 N 1.081 7 residues pruned to eliminate duplicates Z: 6 5.349 1.732 0.900 0.736 1.000 0.800 CB 0.589 6 residues pruned to eliminate duplicates Z: 7 2.871 1.396 0.384 0.254 0.833 0.500 CA 0.965 Z: 7 7.519 1.701 0.332 0.642 1.000 0.833 CA 1.186 6 residues pruned to eliminate duplicates Z: 12 4.773 1.677 0.424 0.308 0.727 0.455 CB 1.025 Z: 25 13.315 2.025 0.623 0.262 0.792 0.500 CB 1.370 49 residues pruned to eliminate duplicates Z: 15 6.903 1.703 0.188 0.368 0.857 0.571 CA 1.226 15 residues pruned to eliminate duplicates Z: 18 9.532 1.529 0.713 0.516 0.882 0.412 CB 0.984 18 residues pruned to eliminate duplicates Z: 25 12.110 1.940 0.250 0.429 0.917 0.708 CB 1.196 25 residues pruned to eliminate duplicates Z: 17 12.458 1.824 0.387 0.605 0.875 0.562 CB 1.274 17 residues pruned to eliminate duplicates Z: 29 27.000 2.048 0.412 0.702 0.964 0.821 CB 1.523 29 residues pruned to eliminate duplicates Z: 7 2.675 1.547 0.109 0.091 1.000 0.333 CB 1.077 7 residues pruned to eliminate duplicates Z: 6 3.257 1.446 0.150 0.526 0.800 0.600 N 1.067 Z: 7 2.813 1.400 0.115 0.477 0.833 0.500 CB 0.904 7 residues pruned to eliminate duplicates 7 1.968 1.771 0.516 0.083 0.500 0.333 CB 1.026 ? Z: 18 21.340 2.081 0.338 0.810 1.000 0.824 CB 1.419 18 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 6.025 1.682 0.805 0.345 1.000 0.600 CB 1.050 Z: 9 7.606 1.921 0.386 0.438 0.750 0.625 CA 1.436 9 residues pruned to eliminate duplicates Z: 11 8.095 1.873 0.617 0.492 0.800 0.600 CB 1.065 11 residues pruned to eliminate duplicates Z: 10 11.247 1.975 0.685 0.562 0.778 0.556 CA 1.364 19 residues pruned to eliminate duplicates Z: 9 10.030 1.791 0.740 0.539 0.875 0.625 CB 1.253 13 residues pruned to eliminate duplicates Z: 6 4.766 1.746 0.790 0.384 0.800 0.400 CA 0.964 6 residues pruned to eliminate duplicates Z: 25 16.211 2.003 0.472 0.524 0.875 0.625 CB 1.253 25 residues pruned to eliminate duplicates Z: 11 19.742 2.128 1.006 0.602 1.000 0.600 CA 1.326 11 residues pruned to eliminate duplicates Z: 10 17.949 2.149 0.772 0.531 1.000 0.778 CB 1.523 10 residues pruned to eliminate duplicates Z: 8 10.931 2.211 0.504 0.520 0.857 0.714 CA 1.420 Z: 6 5.124 1.553 1.176 0.434 0.800 0.600 CA 0.907 6 residues pruned to eliminate duplicates Z: 16 9.049 1.863 0.752 0.300 0.800 0.467 CB 1.119 8 residues pruned to eliminate duplicates Z: 6 3.371 1.597 0.304 0.426 0.800 0.600 CA 0.976 6 residues pruned to eliminate duplicates Z: 13 11.243 1.945 0.669 0.368 0.833 0.500 CA 1.383 16 residues pruned to eliminate duplicates Z: 6 4.840 1.716 0.540 0.425 1.000 0.800 CA 0.885 6 residues pruned to eliminate duplicates Z: 8 11.226 2.001 0.232 0.531 1.000 0.714 CA 1.670 8 residues pruned to eliminate duplicates Z: 7 3.614 1.866 0.100 0.454 0.667 0.500 CA 1.130 7 residues pruned to eliminate duplicates Z: 9 4.941 1.720 0.380 0.473 0.750 0.250 CA 1.008 9 residues pruned to eliminate duplicates Z: 7 3.705 1.860 0.068 0.511 0.667 0.333 CA 1.130 7 residues pruned to eliminate duplicates Z: 9 7.161 1.777 0.315 0.506 0.875 0.500 CB 1.231 7 residues pruned to eliminate duplicates Z: 6 6.678 1.797 0.468 0.472 1.000 0.600 CA 1.165 6 residues pruned to eliminate duplicates Z: 14 10.350 1.822 0.455 0.446 0.846 0.692 CB 1.354 14 residues pruned to eliminate duplicates Z: 13 12.000 1.833 0.479 0.358 1.000 0.417 CB 1.489 13 residues pruned to eliminate duplicates Z: 16 10.873 1.792 0.564 0.387 0.933 0.600 CB 1.210 16 residues pruned to eliminate duplicates Z: 18 9.279 1.784 0.562 0.311 0.706 0.471 CB 1.411 18 residues pruned to eliminate duplicates Z: 15 11.234 1.909 0.352 0.345 0.929 0.571 CA 1.483 13 residues pruned to eliminate duplicates Z: 7 3.549 1.741 0.266 0.445 0.833 0.667 CA 0.835 7 residues pruned to eliminate duplicates Z: 37 23.143 1.964 0.462 0.478 0.972 0.639 CA 1.412 37 residues pruned to eliminate duplicates Z: 35 24.091 2.023 0.449 0.503 0.941 0.735 CA 1.493 35 residues pruned to eliminate duplicates Z: 19 11.421 1.907 0.479 0.343 0.833 0.556 CA 1.360 19 residues pruned to eliminate duplicates Z: 34 25.954 2.083 0.510 0.495 0.909 0.667 CA 1.588 34 residues pruned to eliminate duplicates Z: 34 25.628 2.093 0.510 0.489 0.939 0.697 CA 1.520 34 residues pruned to eliminate duplicates Z: 32 19.732 2.015 0.355 0.472 0.871 0.677 CA 1.533 32 residues pruned to eliminate duplicates Z: 36 24.308 2.005 0.536 0.477 0.943 0.629 CA 1.447 36 residues pruned to eliminate duplicates Z: 36 25.598 2.038 0.518 0.482 0.943 0.714 CA 1.511 36 residues pruned to eliminate duplicates Z: 7 8.724 1.916 0.478 0.540 1.000 0.833 CA 1.210 7 residues pruned to eliminate duplicates Z: 37 25.161 1.999 0.560 0.454 0.944 0.667 CA 1.493 37 residues pruned to eliminate duplicates Z: 37 23.467 1.944 0.584 0.462 0.917 0.667 CA 1.441 37 residues pruned to eliminate duplicates Z: 35 25.749 2.059 0.486 0.470 0.971 0.676 CA 1.533 35 residues pruned to eliminate duplicates Z: 45 21.432 1.955 0.392 0.438 0.886 0.636 CA 1.428 45 residues pruned to eliminate duplicates Z: 36 20.420 1.998 0.441 0.431 0.857 0.629 CA 1.502 36 residues pruned to eliminate duplicates Z: 33 25.443 2.050 0.532 0.483 0.969 0.750 CA 1.503 33 residues pruned to eliminate duplicates Z: 34 25.636 2.085 0.491 0.471 0.939 0.667 CA 1.573 34 residues pruned to eliminate duplicates Z: 35 24.717 2.039 0.552 0.483 0.882 0.588 CA 1.544 35 residues pruned to eliminate duplicates Z: 36 25.787 2.017 0.503 0.519 0.943 0.600 CA 1.497 36 residues pruned to eliminate duplicates Z: 33 21.982 2.059 0.432 0.447 0.875 0.594 CA 1.590 33 residues pruned to eliminate duplicates Z: 34 24.324 2.051 0.476 0.475 0.909 0.636 CA 1.577 34 residues pruned to eliminate duplicates Z: 36 24.699 2.007 0.632 0.463 0.886 0.600 CA 1.495 36 residues pruned to eliminate duplicates Z: 34 25.206 2.079 0.497 0.482 0.939 0.636 CB 1.529 34 residues pruned to eliminate duplicates Z: 37 23.549 1.938 0.683 0.442 0.889 0.667 CA 1.438 37 residues pruned to eliminate duplicates Z: 35 22.589 1.995 0.407 0.495 0.941 0.676 CA 1.473 35 residues pruned to eliminate duplicates Z: 34 24.358 2.029 0.571 0.437 0.939 0.545 CA 1.511 34 residues pruned to eliminate duplicates Z: 34 27.250 2.073 0.576 0.480 0.939 0.576 CA 1.578 34 residues pruned to eliminate duplicates Z: 36 26.889 1.990 0.652 0.462 0.971 0.629 CA 1.480 36 residues pruned to eliminate duplicates Z: 7 12.394 2.153 0.890 0.654 0.667 0.500 CB 1.617 7 residues pruned to eliminate duplicates Z: 10 10.673 1.901 0.690 0.630 0.889 0.444 CB 1.102 10 residues pruned to eliminate duplicates Z: 8 14.369 2.121 0.713 0.692 0.857 0.571 CB 1.462 8 residues pruned to eliminate duplicates Z: 34 27.473 2.112 0.679 0.527 0.939 0.636 CB 1.398 34 residues pruned to eliminate duplicates Z: 33 27.050 2.157 0.631 0.507 0.938 0.594 CB 1.439 33 residues pruned to eliminate duplicates Z: 17 9.563 1.680 0.329 0.586 0.938 0.688 CB 1.052 13 residues pruned to eliminate duplicates Z: 11 15.617 1.958 0.493 0.791 1.000 0.900 CB 1.309 11 residues pruned to eliminate duplicates Z: 11 11.029 1.983 0.586 0.391 0.800 0.700 CA 1.555 11 residues pruned to eliminate duplicates Z: 11 8.604 1.828 0.546 0.369 0.800 0.600 CA 1.386 11 residues pruned to eliminate duplicates Z: 6 6.005 1.388 1.015 0.480 1.000 0.800 CA 0.980 6 residues pruned to eliminate duplicates Z: 9 9.570 1.992 0.619 0.394 0.750 0.500 CA 1.565 9 residues pruned to eliminate duplicates Z: 12 10.598 1.814 0.916 0.396 0.909 0.545 CA 1.128 12 residues pruned to eliminate duplicates Z: 20 18.000 2.008 0.390 0.882 0.947 0.842 CA 1.130 20 residues pruned to eliminate duplicates Z: 19 20.997 2.047 0.498 0.903 0.944 0.556 CA 1.219 19 residues pruned to eliminate duplicates Z: 19 22.143 2.084 0.485 0.914 1.000 0.611 CA 1.193 19 residues pruned to eliminate duplicates Z: 29 26.411 1.960 0.660 0.793 1.000 0.750 CA 1.187 29 residues pruned to eliminate duplicates Z: 21 26.450 2.017 0.749 0.924 1.000 0.650 CA 1.178 21 residues pruned to eliminate duplicates Z: 20 25.739 2.087 0.625 0.868 0.947 0.474 CA 1.344 20 residues pruned to eliminate duplicates Z: 22 28.264 1.997 0.795 0.863 0.952 0.571 CA 1.325 21 residues pruned to eliminate duplicates Z: 14 19.128 2.002 0.694 0.890 0.923 0.692 CA 1.219 14 residues pruned to eliminate duplicates Z: 18 29.710 2.112 0.891 0.926 1.000 0.706 CA 1.265 18 residues pruned to eliminate duplicates Z: 20 29.709 2.043 1.043 0.933 0.947 0.579 CA 1.203 20 residues pruned to eliminate duplicates Z: 19 19.859 1.986 1.005 0.848 0.778 0.500 CA 1.120 19 residues pruned to eliminate duplicates Z: 17 24.465 2.089 0.938 0.790 0.938 0.375 CA 1.250 17 residues pruned to eliminate duplicates Z: 17 25.502 2.070 0.998 0.789 0.938 0.438 CA 1.276 17 residues pruned to eliminate duplicates Z: 14 28.481 2.075 1.247 0.903 0.923 0.538 CA 1.309 16 residues pruned to eliminate duplicates Z: 16 20.274 1.893 0.892 0.921 0.867 0.400 CA 1.187 16 residues pruned to eliminate duplicates Z: 16 25.872 2.002 1.143 0.922 1.000 0.533 CA 1.095 16 residues pruned to eliminate duplicates Z: 32 28.914 2.000 0.747 0.741 0.935 0.581 CA 1.281 32 residues pruned to eliminate duplicates Z: 18 29.055 2.091 0.963 0.923 0.941 0.647 CA 1.282 18 residues pruned to eliminate duplicates Z: 17 10.017 1.864 0.577 0.237 0.812 0.625 CB 1.422 17 residues pruned to eliminate duplicates Z: 9 16.008 1.961 0.734 0.567 1.000 0.625 CA 1.559 11 residues pruned to eliminate duplicates Z: 6 5.777 1.687 0.599 0.450 1.000 0.800 CA 1.008 Z: 6 4.120 1.816 0.049 0.359 0.800 0.600 CA 1.408 6 residues pruned to eliminate duplicates Z: 33 17.242 2.081 0.422 0.344 0.844 0.469 CB 1.446 33 residues pruned to eliminate duplicates Z: 35 15.221 2.006 0.324 0.306 0.882 0.588 CB 1.381 35 residues pruned to eliminate duplicates Z: 33 19.775 2.131 0.461 0.364 0.906 0.562 CB 1.434 39 residues pruned to eliminate duplicates Z: 33 17.263 2.065 0.411 0.365 0.875 0.500 CB 1.384 33 residues pruned to eliminate duplicates Z: 27 11.698 1.984 0.411 0.292 0.769 0.423 CA 1.346 27 residues pruned to eliminate duplicates Z: 19 8.817 1.773 0.443 0.278 0.833 0.389 CA 1.253 19 residues pruned to eliminate duplicates Z: 18 9.944 1.953 0.285 0.330 0.824 0.294 CB 1.406 18 residues pruned to eliminate duplicates Z: 34 16.484 2.044 0.497 0.330 0.818 0.485 CB 1.381 34 residues pruned to eliminate duplicates Z: 30 15.838 2.059 0.369 0.318 0.897 0.552 CB 1.423 30 residues pruned to eliminate duplicates Z: 29 16.565 2.072 0.433 0.375 0.857 0.536 CA 1.406 29 residues pruned to eliminate duplicates Z: 26 16.454 2.020 0.397 0.402 0.920 0.480 CA 1.406 26 residues pruned to eliminate duplicates Z: 23 10.843 1.897 0.506 0.328 0.773 0.318 CA 1.265 23 residues pruned to eliminate duplicates Z: 35 16.812 2.004 0.564 0.324 0.853 0.412 CB 1.309 35 residues pruned to eliminate duplicates Z: 44 18.800 1.959 0.502 0.345 0.884 0.605 CB 1.305 56 residues pruned to eliminate duplicates Z: 6 4.930 1.472 0.613 0.472 1.000 0.400 CA 0.955 6 residues pruned to eliminate duplicates Z: 9 9.353 1.621 0.894 0.542 0.875 0.500 C 1.181 8 residues pruned to eliminate duplicates Z: 6 2.659 1.318 0.191 0.412 0.800 0.200 O 1.039 Z: 6 4.844 1.493 0.694 0.307 1.000 0.400 N 1.062 4 residues pruned to eliminate duplicates Z: 17 21.116 1.902 0.805 0.534 0.938 0.688 CA 1.586 30 residues pruned to eliminate duplicates Z: 6 2.677 1.513 0.375 0.258 0.800 0.400 N 0.949 6 residues pruned to eliminate duplicates Z: 13 13.034 1.799 0.683 0.536 0.917 0.583 CB 1.310 13 residues pruned to eliminate duplicates Z: 10 17.066 2.042 0.764 0.583 0.889 0.778 CB 1.641 10 residues pruned to eliminate duplicates Z: 10 16.851 2.060 0.642 0.537 1.000 0.778 CB 1.600 10 residues pruned to eliminate duplicates Z: 10 17.439 2.073 0.752 0.560 1.000 0.778 CB 1.510 10 residues pruned to eliminate duplicates Z: 12 8.306 1.799 0.348 0.507 0.909 0.455 CB 1.128 11 residues pruned to eliminate duplicates Z: 6 6.769 1.596 0.912 0.401 1.000 0.800 CB 1.100 6 residues pruned to eliminate duplicates Z: 25 10.939 1.926 0.394 0.361 0.792 0.333 CB 1.220 25 residues pruned to eliminate duplicates Z: 14 9.688 1.831 0.779 0.383 0.769 0.385 CA 1.214 15 residues pruned to eliminate duplicates Z: 6 2.469 1.638 0.660 0.305 0.800 0.400 CA 0.630 6 residues pruned to eliminate duplicates Z: 17 10.823 1.913 0.470 0.429 0.938 0.500 CB 1.104 17 residues pruned to eliminate duplicates Z: 13 11.386 2.018 0.537 0.460 0.917 0.500 CB 1.204 13 residues pruned to eliminate duplicates Z: 36 29.837 2.050 0.624 0.708 0.971 0.771 CA 1.291 36 residues pruned to eliminate duplicates Z: 13 15.623 2.026 0.634 0.577 1.000 0.667 CB 1.266 13 residues pruned to eliminate duplicates Z: 23 11.837 1.883 0.493 0.443 0.818 0.364 CB 1.163 23 residues pruned to eliminate duplicates Z: 15 7.463 1.865 0.462 0.379 0.786 0.429 CB 1.060 15 residues pruned to eliminate duplicates Z: 29 29.190 2.061 0.627 0.796 1.000 0.893 CA 1.270 29 residues pruned to eliminate duplicates Z: 15 13.231 2.001 0.477 0.520 0.929 0.643 CB 1.263 15 residues pruned to eliminate duplicates Z: 25 11.940 1.895 0.473 0.367 0.875 0.583 CA 1.152 25 residues pruned to eliminate duplicates Z: 15 13.126 2.002 0.411 0.526 1.000 0.643 CA 1.211 15 residues pruned to eliminate duplicates Z: 11 8.963 1.930 0.189 0.526 1.000 0.800 CA 1.204 11 residues pruned to eliminate duplicates Z: 14 11.338 1.861 0.685 0.523 0.846 0.692 CB 1.159 14 residues pruned to eliminate duplicates Z: 13 7.167 1.772 0.303 0.268 0.917 0.583 CB 1.272 9 residues pruned to eliminate duplicates Z: 7 7.907 1.944 -0.033 0.575 1.000 0.500 CB 1.597 7 residues pruned to eliminate duplicates Z: 10 9.889 1.960 0.449 0.422 0.778 0.556 CB 1.619 19 residues pruned to eliminate duplicates Z: 6 5.652 1.833 0.359 0.547 0.800 0.600 CA 1.212 6 residues pruned to eliminate duplicates Z: 8 12.674 2.002 0.529 0.449 1.000 0.714 CB 1.648 9 residues pruned to eliminate duplicates Z: 8 12.514 2.000 0.632 0.470 0.857 0.857 CA 1.743 8 residues pruned to eliminate duplicates Z: 8 8.054 1.804 0.374 0.532 0.857 0.571 CA 1.388 8 residues pruned to eliminate duplicates Z: 6 4.715 1.495 0.647 0.294 1.000 0.600 CA 1.077 Z: 6 4.313 1.507 1.033 0.385 0.800 0.800 CA 0.890 Z: 6 6.262 1.932 0.008 0.431 1.000 0.600 CA 1.543 6 residues pruned to eliminate duplicates Z: 18 9.165 1.652 0.332 0.368 0.941 0.647 CA 1.237 18 residues pruned to eliminate duplicates Z: 16 10.393 1.743 0.371 0.520 0.933 0.800 CB 1.179 17 residues pruned to eliminate duplicates Z: 6 3.694 1.592 0.234 0.329 0.800 0.400 CA 1.267 6 residues pruned to eliminate duplicates Z: 14 9.170 1.819 0.117 0.497 1.000 0.846 CA 1.256 14 residues pruned to eliminate duplicates Z: 26 13.423 1.885 0.357 0.396 0.880 0.520 CB 1.331 26 residues pruned to eliminate duplicates Z: 8 3.836 1.800 0.057 0.137 0.857 0.143 CB 1.396 5 residues pruned to eliminate duplicates Z: 8 9.137 1.932 0.372 0.459 1.000 0.286 CA 1.359 8 residues pruned to eliminate duplicates Z: 35 16.993 1.863 0.388 0.515 0.882 0.441 CB 1.259 35 residues pruned to eliminate duplicates Z: 25 12.821 1.909 0.339 0.444 0.875 0.708 CB 1.240 25 residues pruned to eliminate duplicates Z: 25 12.847 1.889 0.448 0.420 0.917 0.542 CB 1.137 25 residues pruned to eliminate duplicates Z: 25 13.895 1.924 0.417 0.445 0.917 0.500 CB 1.201 25 residues pruned to eliminate duplicates Z: 21 14.063 1.882 0.400 0.520 0.850 0.700 CB 1.376 21 residues pruned to eliminate duplicates Z: 24 12.925 1.895 0.417 0.468 0.913 0.609 CB 1.136 24 residues pruned to eliminate duplicates Z: 18 12.898 1.919 0.546 0.499 0.882 0.765 CB 1.196 18 residues pruned to eliminate duplicates Z: 22 14.417 1.893 0.402 0.500 0.952 0.619 CB 1.245 22 residues pruned to eliminate duplicates Z: 16 12.149 1.860 0.291 0.417 0.933 0.667 CA 1.526 16 residues pruned to eliminate duplicates Z: 25 13.455 1.911 0.394 0.471 0.875 0.500 CB 1.213 25 residues pruned to eliminate duplicates Z: 27 10.429 1.698 0.326 0.386 0.885 0.577 CB 1.159 27 residues pruned to eliminate duplicates Z: 20 10.709 1.851 0.151 0.483 0.895 0.579 CB 1.311 20 residues pruned to eliminate duplicates Z: 26 13.439 1.883 0.489 0.415 0.840 0.560 CB 1.248 26 residues pruned to eliminate duplicates Z: 6 5.587 1.454 0.616 0.389 1.000 0.600 CA 1.196 6 residues pruned to eliminate duplicates Z: 11 9.331 1.783 0.688 0.565 0.900 0.600 CB 1.023 11 residues pruned to eliminate duplicates Z: 20 10.402 1.828 0.412 0.506 0.895 0.579 CB 1.026 20 residues pruned to eliminate duplicates Z: 18 8.648 1.760 0.231 0.553 0.882 0.647 CB 1.041 18 residues pruned to eliminate duplicates Z: 37 13.746 1.799 0.306 0.430 0.833 0.528 CB 1.258 37 residues pruned to eliminate duplicates Z: 7 6.686 2.021 0.387 0.642 0.667 0.333 CA 1.279 7 residues pruned to eliminate duplicates Z: 18 10.926 1.869 0.513 0.542 0.765 0.529 CB 1.176 18 residues pruned to eliminate duplicates Z: 18 11.208 1.809 0.587 0.577 0.882 0.647 CB 0.997 18 residues pruned to eliminate duplicates Z: 9 6.654 1.466 0.338 0.603 1.000 0.500 C 1.088 9 residues pruned to eliminate duplicates Z: 21 14.699 1.875 0.792 0.390 0.900 0.550 CA 1.221 21 residues pruned to eliminate duplicates Z: 22 11.413 1.987 0.540 0.292 0.762 0.429 CB 1.349 22 residues pruned to eliminate duplicates Z: 8 7.748 1.996 0.630 0.216 0.857 0.429 CA 1.466 8 residues pruned to eliminate duplicates Z: 20 13.674 1.964 0.602 0.280 0.947 0.421 CB 1.349 20 residues pruned to eliminate duplicates Z: 23 11.008 1.941 0.322 0.272 0.864 0.455 CA 1.372 23 residues pruned to eliminate duplicates Z: 24 13.396 1.958 0.555 0.261 0.826 0.435 CA 1.458 24 residues pruned to eliminate duplicates Z: 20 13.628 2.036 0.646 0.314 0.789 0.316 CB 1.452 20 residues pruned to eliminate duplicates Z: 33 12.449 1.883 0.591 0.206 0.844 0.594 CB 1.233 33 residues pruned to eliminate duplicates Z: 23 12.383 2.007 0.535 0.294 0.773 0.409 CA 1.397 23 residues pruned to eliminate duplicates Z: 22 13.496 2.023 0.506 0.297 0.857 0.381 CB 1.416 22 residues pruned to eliminate duplicates Z: 23 14.328 2.006 0.614 0.315 0.818 0.545 CA 1.416 23 residues pruned to eliminate duplicates Z: 16 10.435 1.990 0.425 0.343 0.800 0.333 CB 1.408 16 residues pruned to eliminate duplicates Z: 27 10.971 1.931 0.491 0.337 0.731 0.423 CB 1.222 27 residues pruned to eliminate duplicates Z: 15 8.285 2.064 0.305 0.260 0.714 0.429 CA 1.515 15 residues pruned to eliminate duplicates Z: 13 9.315 2.077 0.401 0.291 0.750 0.333 CB 1.558 13 residues pruned to eliminate duplicates Z: 15 9.964 1.982 0.454 0.293 0.786 0.500 CA 1.482 15 residues pruned to eliminate duplicates Z: 17 8.772 1.903 0.443 0.265 0.875 0.375 CB 1.193 17 residues pruned to eliminate duplicates Z: 11 7.886 2.055 0.483 0.252 0.700 0.500 CA 1.554 11 residues pruned to eliminate duplicates Z: 9 7.855 2.189 0.587 0.239 0.750 0.375 CA 1.443 9 residues pruned to eliminate duplicates Z: 22 15.369 2.021 0.613 0.327 0.857 0.476 CA 1.452 22 residues pruned to eliminate duplicates Z: 27 11.451 1.919 0.623 0.277 0.769 0.500 CB 1.206 27 residues pruned to eliminate duplicates Z: 17 12.517 2.042 0.499 0.387 0.812 0.375 CA 1.418 17 residues pruned to eliminate duplicates Z: 23 13.047 2.003 0.518 0.320 0.818 0.500 CA 1.364 23 residues pruned to eliminate duplicates Z: 29 16.226 2.072 0.466 0.381 0.786 0.429 CB 1.458 29 residues pruned to eliminate duplicates Z: 23 11.014 2.048 0.466 0.349 0.773 0.455 CB 1.192 23 residues pruned to eliminate duplicates Z: 28 16.006 2.074 0.480 0.362 0.815 0.444 CB 1.429 28 residues pruned to eliminate duplicates Z: 39 15.462 2.043 0.356 0.362 0.763 0.342 CB 1.377 39 residues pruned to eliminate duplicates Z: 23 7.331 2.062 0.286 0.326 0.591 0.409 CB 1.208 23 residues pruned to eliminate duplicates Z: 35 12.619 1.944 0.317 0.358 0.824 0.471 CB 1.196 35 residues pruned to eliminate duplicates Z: 22 11.254 1.978 0.517 0.328 0.762 0.429 CB 1.298 22 residues pruned to eliminate duplicates Z: 26 8.703 1.984 0.420 0.248 0.720 0.400 CB 1.147 26 residues pruned to eliminate duplicates Z: 20 8.275 1.982 0.340 0.297 0.842 0.579 CB 1.065 20 residues pruned to eliminate duplicates Z: 10 13.293 2.205 0.583 0.412 1.000 0.778 CB 1.392 10 residues pruned to eliminate duplicates Z: 21 9.010 2.030 0.251 0.395 0.750 0.500 CB 1.182 21 residues pruned to eliminate duplicates Z: 11 14.930 2.173 0.527 0.467 1.000 0.600 CB 1.472 11 residues pruned to eliminate duplicates Z: 21 9.559 2.106 0.340 0.328 0.700 0.300 CB 1.306 21 residues pruned to eliminate duplicates Z: 13 10.898 2.116 0.323 0.420 0.833 0.583 CA 1.467 13 residues pruned to eliminate duplicates Z: 22 9.262 2.076 0.331 0.344 0.714 0.381 CB 1.213 22 residues pruned to eliminate duplicates Z: 21 14.298 2.128 0.303 0.376 0.850 0.400 CB 1.548 21 residues pruned to eliminate duplicates Z: 26 11.408 2.049 0.302 0.327 0.720 0.480 CB 1.436 26 residues pruned to eliminate duplicates Z: 42 16.613 1.974 0.459 0.356 0.829 0.439 CB 1.270 42 residues pruned to eliminate duplicates Z: 23 10.864 1.997 0.359 0.343 0.818 0.545 CB 1.238 23 residues pruned to eliminate duplicates Z: 31 12.944 1.933 0.218 0.320 0.833 0.467 CB 1.469 31 residues pruned to eliminate duplicates Z: 11 5.377 1.689 0.364 0.215 0.800 0.300 CB 1.290 11 residues pruned to eliminate duplicates Z: 11 4.929 1.759 0.360 0.100 0.900 0.400 CB 1.207 11 residues pruned to eliminate duplicates Z: 9 5.052 1.970 0.300 0.162 0.750 0.250 CB 1.405 9 residues pruned to eliminate duplicates 6 1.974 1.668 -0.114 0.293 0.600 0.400 CB 1.255 ? Z: 34 24.797 2.064 0.490 0.490 0.939 0.545 CA 1.509 34 residues pruned to eliminate duplicates Z: 10 17.429 1.984 0.804 0.717 1.000 0.333 CA 1.334 11 residues pruned to eliminate duplicates Z: 11 22.689 1.958 0.853 0.876 1.000 0.600 CB 1.437 9 residues pruned to eliminate duplicates Z: 10 18.219 2.024 0.468 0.878 1.000 1.000 CB 1.483 10 residues pruned to eliminate duplicates Z: 13 12.823 1.964 0.572 0.659 0.917 0.500 CB 1.128 13 residues pruned to eliminate duplicates Z: 19 18.403 1.971 0.705 0.538 0.889 0.500 CA 1.400 19 residues pruned to eliminate duplicates Z: 39 31.401 2.094 0.515 0.584 0.947 0.658 CA 1.563 39 residues pruned to eliminate duplicates Z: 33 26.874 2.086 0.480 0.547 0.938 0.688 CA 1.567 33 residues pruned to eliminate duplicates Z: 40 27.029 2.066 0.573 0.492 0.897 0.513 CA 1.497 40 residues pruned to eliminate duplicates Z: 27 20.777 2.078 0.591 0.399 0.846 0.538 CA 1.620 27 residues pruned to eliminate duplicates Z: 18 22.934 2.072 0.485 0.620 1.000 0.471 CA 1.615 18 residues pruned to eliminate duplicates Z: 32 22.777 2.076 0.622 0.443 0.871 0.548 CA 1.480 32 residues pruned to eliminate duplicates Z: 32 24.628 2.071 0.536 0.438 0.935 0.452 CB 1.586 32 residues pruned to eliminate duplicates Z: 41 31.540 2.049 0.691 0.554 0.900 0.625 CA 1.517 43 residues pruned to eliminate duplicates Z: 6 6.212 1.860 0.495 0.413 1.000 0.200 CA 1.094 6 residues pruned to eliminate duplicates Z: 33 22.513 2.043 0.580 0.380 0.938 0.438 CA 1.495 33 residues pruned to eliminate duplicates Z: 33 23.092 2.038 0.675 0.430 0.812 0.500 CA 1.581 33 residues pruned to eliminate duplicates Z: 19 18.237 2.107 0.469 0.444 0.889 0.556 CA 1.655 19 residues pruned to eliminate duplicates Z: 34 24.236 2.027 0.491 0.529 0.909 0.606 CA 1.492 34 residues pruned to eliminate duplicates Z: 19 21.049 2.101 0.711 0.461 0.944 0.500 CA 1.521 19 residues pruned to eliminate duplicates Z: 19 15.907 2.019 0.822 0.349 0.778 0.389 CA 1.544 19 residues pruned to eliminate duplicates Z: 25 21.114 2.123 0.608 0.454 0.833 0.500 CA 1.588 25 residues pruned to eliminate duplicates Z: 32 25.473 2.058 0.593 0.484 0.903 0.516 CA 1.570 32 residues pruned to eliminate duplicates Z: 15 13.941 1.979 0.508 0.428 0.857 0.571 CA 1.570 15 residues pruned to eliminate duplicates Z: 28 21.389 2.072 0.652 0.381 0.852 0.481 CA 1.602 28 residues pruned to eliminate duplicates Z: 27 22.887 2.071 0.728 0.430 0.885 0.500 CA 1.524 27 residues pruned to eliminate duplicates Z: 29 21.750 2.031 0.613 0.445 0.893 0.571 CA 1.488 29 residues pruned to eliminate duplicates Z: 11 13.184 2.040 0.661 0.610 0.800 0.600 CA 1.386 14 residues pruned to eliminate duplicates Z: 11 16.479 1.833 1.042 0.651 1.000 0.700 CA 1.209 11 residues pruned to eliminate duplicates Z: 42 30.910 2.059 0.635 0.521 0.927 0.537 CA 1.516 42 residues pruned to eliminate duplicates Z: 20 23.063 2.151 0.584 0.587 0.947 0.789 CA 1.508 18 residues pruned to eliminate duplicates Z: 10 17.204 1.780 0.772 0.821 1.000 0.889 CA 1.376 10 residues pruned to eliminate duplicates Z: 28 19.312 2.018 0.554 0.427 0.889 0.593 CA 1.438 28 residues pruned to eliminate duplicates Z: 35 23.518 2.027 0.541 0.405 0.941 0.500 CA 1.517 35 residues pruned to eliminate duplicates Z: 19 18.991 2.059 0.607 0.567 0.889 0.667 CA 1.426 19 residues pruned to eliminate duplicates Z: 6 4.547 2.032 0.878 0.100 0.600 0.400 CA 1.480 3 residues pruned to eliminate duplicates Z: 12 14.455 1.957 0.946 0.631 0.818 0.636 CA 1.236 12 residues pruned to eliminate duplicates Z: 6 6.479 1.849 0.701 0.288 0.800 0.000 CB 1.461 4 residues pruned to eliminate duplicates Z: 7 4.482 1.656 0.313 0.297 0.833 0.500 CB 1.266 7 residues pruned to eliminate duplicates Z: 27 19.760 2.091 0.795 0.370 0.885 0.577 CB 1.341 27 residues pruned to eliminate duplicates Z: 16 11.694 2.053 0.572 0.250 0.867 0.400 CB 1.440 16 residues pruned to eliminate duplicates Z: 13 13.510 2.167 0.525 0.306 1.000 0.417 CA 1.465 13 residues pruned to eliminate duplicates Z: 31 20.293 2.186 0.713 0.342 0.867 0.500 CB 1.355 31 residues pruned to eliminate duplicates Z: 28 17.917 2.061 0.750 0.284 0.889 0.481 CB 1.372 28 residues pruned to eliminate duplicates Z: 23 22.230 2.164 0.932 0.386 0.909 0.591 CB 1.408 23 residues pruned to eliminate duplicates Z: 31 21.894 2.133 0.789 0.381 0.900 0.367 CB 1.321 31 residues pruned to eliminate duplicates Z: 19 15.951 2.054 0.638 0.509 0.833 0.611 CB 1.329 19 residues pruned to eliminate duplicates Z: 19 16.282 2.134 0.613 0.395 0.833 0.556 CB 1.495 19 residues pruned to eliminate duplicates Z: 33 24.437 2.158 0.814 0.351 0.938 0.469 CB 1.384 33 residues pruned to eliminate duplicates Z: 49 28.005 2.017 0.649 0.412 0.875 0.583 CA 1.522 95 residues pruned to eliminate duplicates Z: 6 3.181 1.598 0.441 0.358 0.800 0.400 CA 0.900 Z: 6 4.585 1.557 0.619 0.341 1.000 0.800 CA 0.967 Z: 6 8.315 1.696 0.674 0.344 1.000 0.400 CA 1.551 Z: 21 23.247 2.277 0.746 0.447 0.900 0.700 CB 1.534 21 residues pruned to eliminate duplicates Z: 16 13.240 2.015 0.793 0.317 0.867 0.467 CB 1.336 16 residues pruned to eliminate duplicates Z: 51 32.851 2.104 0.496 0.531 0.920 0.620 CA 1.555 51 residues pruned to eliminate duplicates Z: 45 26.102 2.036 0.277 0.570 0.886 0.636 CB 1.595 45 residues pruned to eliminate duplicates Z: 42 26.142 1.956 0.410 0.586 0.902 0.732 CB 1.510 42 residues pruned to eliminate duplicates Z: 57 31.380 2.128 0.442 0.491 0.875 0.643 CB 1.576 57 residues pruned to eliminate duplicates Z: 49 30.657 2.172 0.416 0.522 0.875 0.625 CB 1.609 49 residues pruned to eliminate duplicates Z: 27 20.038 2.136 0.182 0.675 0.885 0.769 CB 1.497 27 residues pruned to eliminate duplicates Z: 30 28.265 2.124 0.350 0.716 0.897 0.724 CA 1.678 37 residues pruned to eliminate duplicates Z: 29 31.055 2.136 0.419 0.719 0.964 0.643 CA 1.648 29 residues pruned to eliminate duplicates Z: 32 22.503 2.066 0.262 0.658 0.871 0.613 CA 1.537 32 residues pruned to eliminate duplicates Z: 30 31.218 2.085 0.450 0.738 0.966 0.759 CB 1.604 30 residues pruned to eliminate duplicates Z: 27 33.180 2.180 0.467 0.728 0.962 0.808 CA 1.724 27 residues pruned to eliminate duplicates Z: 30 28.761 2.107 0.444 0.685 0.931 0.621 CA 1.591 30 residues pruned to eliminate duplicates Z: 23 20.122 2.159 0.241 0.678 0.909 0.773 CB 1.495 23 residues pruned to eliminate duplicates Z: 30 30.156 2.107 0.457 0.686 0.931 0.655 CA 1.651 30 residues pruned to eliminate duplicates Z: 30 34.936 2.152 0.630 0.696 0.931 0.724 CB 1.662 30 residues pruned to eliminate duplicates Z: 27 34.626 2.182 0.582 0.705 0.962 0.538 CB 1.698 27 residues pruned to eliminate duplicates Z: 30 34.601 2.122 0.648 0.732 0.931 0.517 CB 1.602 68 residues pruned to eliminate duplicates Z: 18 28.514 2.187 0.663 0.914 0.941 0.706 CB 1.429 18 residues pruned to eliminate duplicates Z: 30 38.337 2.103 0.795 0.732 0.931 0.552 CB 1.643 30 residues pruned to eliminate duplicates Z: 31 38.225 2.093 0.744 0.739 0.967 0.567 CB 1.596 31 residues pruned to eliminate duplicates Z: 30 42.392 2.073 0.908 0.753 0.966 0.586 CB 1.645 30 residues pruned to eliminate duplicates Z: 32 24.341 2.022 0.675 0.596 0.871 0.484 CB 1.351 32 residues pruned to eliminate duplicates Z: 29 42.268 2.163 0.819 0.732 1.000 0.643 CB 1.648 30 residues pruned to eliminate duplicates Z: 21 32.887 2.176 0.786 0.920 0.900 0.500 CB 1.481 21 residues pruned to eliminate duplicates Z: 25 28.516 2.104 0.798 0.694 0.917 0.375 CB 1.405 25 residues pruned to eliminate duplicates Z: 30 35.046 2.091 0.766 0.685 0.931 0.586 CB 1.598 30 residues pruned to eliminate duplicates Z: 33 36.567 2.029 0.812 0.671 0.906 0.469 CB 1.657 33 residues pruned to eliminate duplicates Z: 34 31.081 2.092 0.629 0.617 0.879 0.515 CB 1.618 34 residues pruned to eliminate duplicates Z: 7 3.314 1.675 0.415 0.096 0.833 0.167 CB 1.149 7 residues pruned to eliminate duplicates Z: 33 25.249 2.097 0.669 0.546 0.812 0.344 CB 1.501 33 residues pruned to eliminate duplicates Z: 29 23.012 2.100 0.688 0.500 0.821 0.607 CA 1.494 28 residues pruned to eliminate duplicates Z: 10 7.578 1.852 0.079 0.890 1.000 1.000 CB 0.909 10 residues pruned to eliminate duplicates Z: 11 7.049 1.572 0.137 0.934 1.000 0.900 CB 0.870 10 residues pruned to eliminate duplicates Z: 9 9.180 1.822 0.282 0.882 1.000 0.875 CB 1.006 9 residues pruned to eliminate duplicates Z: 14 16.854 1.956 0.496 0.728 1.000 0.769 CA 1.301 14 residues pruned to eliminate duplicates Z: 10 11.065 1.954 0.426 0.576 0.889 0.556 CA 1.383 10 residues pruned to eliminate duplicates Z: 15 15.916 1.979 0.544 0.698 0.929 0.714 CB 1.251 15 residues pruned to eliminate duplicates Z: 14 10.128 1.843 0.600 0.445 0.769 0.462 CA 1.310 14 residues pruned to eliminate duplicates Z: 56 39.497 2.127 0.641 0.568 0.945 0.727 CA 1.512 56 residues pruned to eliminate duplicates Z: 51 32.695 2.114 0.427 0.564 0.940 0.720 CA 1.532 51 residues pruned to eliminate duplicates Z: 19 13.678 1.715 0.697 0.529 0.889 0.444 CA 1.211 19 residues pruned to eliminate duplicates Z: 35 24.609 2.046 0.627 0.467 0.912 0.559 CA 1.437 35 residues pruned to eliminate duplicates Z: 34 26.341 2.100 0.757 0.472 0.939 0.576 CA 1.361 34 residues pruned to eliminate duplicates Z: 61 40.554 2.087 0.657 0.585 0.950 0.667 CA 1.468 61 residues pruned to eliminate duplicates Z: 28 13.746 2.007 0.589 0.287 0.741 0.333 CA 1.423 28 residues pruned to eliminate duplicates Z: 29 24.609 2.070 0.735 0.470 0.929 0.643 CA 1.438 29 residues pruned to eliminate duplicates Z: 20 16.906 2.187 0.547 0.319 0.947 0.474 CA 1.477 20 residues pruned to eliminate duplicates Z: 30 22.889 2.067 0.644 0.476 0.828 0.586 CA 1.548 30 residues pruned to eliminate duplicates Z: 46 31.542 2.128 0.489 0.600 0.933 0.756 CA 1.445 46 residues pruned to eliminate duplicates Z: 30 24.833 2.071 0.640 0.467 0.931 0.517 CA 1.508 30 residues pruned to eliminate duplicates Z: 34 23.400 1.984 0.657 0.422 0.909 0.485 CA 1.478 34 residues pruned to eliminate duplicates Z: 30 17.120 1.971 0.622 0.373 0.862 0.414 CA 1.322 30 residues pruned to eliminate duplicates Z: 47 30.948 2.098 0.549 0.565 0.935 0.652 CA 1.410 47 residues pruned to eliminate duplicates Z: 54 38.690 2.163 0.658 0.545 0.943 0.642 CA 1.504 54 residues pruned to eliminate duplicates Z: 55 40.216 2.158 0.688 0.553 0.944 0.648 CA 1.510 55 residues pruned to eliminate duplicates Z: 55 35.073 2.130 0.563 0.537 0.944 0.667 CA 1.464 55 residues pruned to eliminate duplicates Z: 51 32.411 2.136 0.542 0.522 0.900 0.700 CA 1.514 51 residues pruned to eliminate duplicates Z: 55 34.452 2.079 0.528 0.560 0.963 0.741 CA 1.445 55 residues pruned to eliminate duplicates Z: 61 37.809 2.107 0.477 0.595 0.933 0.767 CA 1.535 61 residues pruned to eliminate duplicates Z: 61 38.987 2.126 0.602 0.589 0.917 0.667 CA 1.480 61 residues pruned to eliminate duplicates Z: 61 37.721 2.100 0.609 0.561 0.900 0.617 CA 1.509 61 residues pruned to eliminate duplicates Z: 63 38.572 2.081 0.654 0.550 0.903 0.661 CA 1.501 63 residues pruned to eliminate duplicates Z: 19 16.778 2.075 0.376 0.486 0.944 0.611 CA 1.487 19 residues pruned to eliminate duplicates Z: 56 37.319 2.129 0.598 0.554 0.927 0.582 CA 1.514 56 residues pruned to eliminate duplicates Z: 54 43.537 2.166 0.743 0.573 0.943 0.698 CA 1.565 54 residues pruned to eliminate duplicates Z: 48 37.924 2.181 0.694 0.514 0.915 0.681 CA 1.614 48 residues pruned to eliminate duplicates Z: 62 39.781 2.074 0.694 0.547 0.918 0.607 CB 1.508 62 residues pruned to eliminate duplicates Z: 29 33.206 2.195 0.627 0.709 0.929 0.714 CB 1.565 29 residues pruned to eliminate duplicates Z: 59 39.156 2.084 0.662 0.524 0.914 0.638 CB 1.586 59 residues pruned to eliminate duplicates Z: 36 36.033 2.123 0.734 0.698 0.943 0.771 CB 1.464 36 residues pruned to eliminate duplicates Z: 62 43.786 2.107 0.743 0.596 0.918 0.721 CB 1.517 62 residues pruned to eliminate duplicates Z: 57 41.686 2.140 0.686 0.575 0.929 0.661 CA 1.547 57 residues pruned to eliminate duplicates Z: 36 31.475 2.087 0.696 0.664 0.914 0.686 CB 1.412 36 residues pruned to eliminate duplicates Z: 35 36.132 2.132 0.692 0.701 0.971 0.676 CB 1.473 35 residues pruned to eliminate duplicates Z: 31 32.952 2.127 0.603 0.752 0.967 0.767 CB 1.457 31 residues pruned to eliminate duplicates Z: 54 40.410 2.116 0.752 0.545 0.925 0.642 CB 1.550 54 residues pruned to eliminate duplicates Z: 56 46.421 2.159 0.897 0.567 0.909 0.709 CB 1.575 56 residues pruned to eliminate duplicates Z: 27 32.150 2.171 0.879 0.722 0.923 0.577 CB 1.370 27 residues pruned to eliminate duplicates Z: 32 34.789 2.165 0.913 0.605 0.935 0.548 CB 1.460 32 residues pruned to eliminate duplicates Z: 57 45.068 2.136 0.819 0.556 0.946 0.571 CA 1.550 57 residues pruned to eliminate duplicates Z: 46 40.632 2.144 0.869 0.581 0.933 0.556 CB 1.498 46 residues pruned to eliminate duplicates Z: 36 38.949 2.110 0.935 0.692 0.943 0.629 CB 1.434 36 residues pruned to eliminate duplicates Z: 47 37.524 2.108 0.796 0.583 0.913 0.609 CA 1.478 47 residues pruned to eliminate duplicates Z: 55 40.196 2.120 0.781 0.552 0.870 0.574 CB 1.582 55 residues pruned to eliminate duplicates Z: 46 39.894 2.148 0.871 0.576 0.933 0.644 CB 1.473 46 residues pruned to eliminate duplicates Z: 60 42.484 2.137 0.851 0.543 0.881 0.644 CB 1.521 60 residues pruned to eliminate duplicates Z: 56 40.547 2.144 0.788 0.539 0.891 0.600 CB 1.541 56 residues pruned to eliminate duplicates Z: 32 35.369 2.150 0.855 0.712 0.935 0.581 CB 1.405 32 residues pruned to eliminate duplicates Z: 9 14.549 2.075 1.013 0.662 0.875 0.750 CB 1.211 Z: 23 16.365 1.993 0.844 0.409 0.864 0.500 CB 1.208 9 residues pruned to eliminate duplicates Z: 21 36.151 2.259 0.652 0.917 0.950 0.750 CA 1.608 21 residues pruned to eliminate duplicates Z: 45 39.381 2.193 0.553 0.693 0.955 0.659 CB 1.530 45 residues pruned to eliminate duplicates Z: 48 36.408 2.162 0.519 0.627 0.957 0.532 CB 1.499 48 residues pruned to eliminate duplicates Z: 44 43.364 2.196 0.642 0.723 0.977 0.698 CB 1.535 68 residues pruned to eliminate duplicates Z: 22 41.199 2.220 0.698 0.925 1.000 0.810 CB 1.673 22 residues pruned to eliminate duplicates Z: 31 46.102 2.234 0.748 0.777 1.000 0.733 CA 1.688 31 residues pruned to eliminate duplicates Z: 21 43.471 2.326 0.751 0.941 1.000 0.800 CB 1.657 21 residues pruned to eliminate duplicates Z: 53 46.176 2.205 0.659 0.657 0.962 0.692 CB 1.573 53 residues pruned to eliminate duplicates Z: 30 39.755 2.247 0.639 0.736 1.000 0.552 CA 1.622 30 residues pruned to eliminate duplicates Z: 43 44.612 2.198 0.696 0.714 0.976 0.714 CA 1.557 43 residues pruned to eliminate duplicates Z: 46 40.011 2.157 0.611 0.670 0.956 0.689 CB 1.535 46 residues pruned to eliminate duplicates Z: 23 34.876 2.254 0.681 0.801 0.955 0.682 CB 1.580 23 residues pruned to eliminate duplicates Z: 45 42.532 2.191 0.675 0.696 0.932 0.682 CA 1.568 45 residues pruned to eliminate duplicates Z: 54 42.613 2.194 0.647 0.629 0.962 0.509 CB 1.490 54 residues pruned to eliminate duplicates Z: 43 45.616 2.214 0.660 0.728 1.000 0.690 CB 1.559 43 residues pruned to eliminate duplicates Z: 22 41.161 2.210 0.856 0.908 1.000 0.714 CB 1.555 22 residues pruned to eliminate duplicates Z: 53 48.474 2.204 0.771 0.640 1.000 0.635 CB 1.511 53 residues pruned to eliminate duplicates Z: 44 40.883 2.179 0.577 0.703 0.977 0.721 CA 1.543 44 residues pruned to eliminate duplicates Z: 43 46.670 2.183 0.781 0.729 1.000 0.643 CA 1.508 43 residues pruned to eliminate duplicates Z: 46 42.114 2.188 0.806 0.703 0.911 0.578 CB 1.450 46 residues pruned to eliminate duplicates Z: 43 47.317 2.231 0.705 0.721 1.000 0.690 CB 1.572 43 residues pruned to eliminate duplicates Z: 64 42.766 2.164 0.680 0.559 0.937 0.571 CB 1.495 44 residues pruned to eliminate duplicates Z: 12 12.133 2.057 0.388 0.836 0.909 0.636 CB 1.055 12 residues pruned to eliminate duplicates Z: 44 36.499 2.108 0.847 0.657 0.884 0.349 CB 1.398 44 residues pruned to eliminate duplicates Z: 43 44.132 2.194 0.744 0.709 0.952 0.690 CA 1.546 43 residues pruned to eliminate duplicates Z: 43 48.598 2.221 0.780 0.709 1.000 0.595 CB 1.568 43 residues pruned to eliminate duplicates Z: 27 20.802 2.103 0.513 0.534 0.962 0.500 CB 1.290 27 residues pruned to eliminate duplicates Z: 44 41.416 2.173 0.603 0.699 1.000 0.674 CB 1.512 44 residues pruned to eliminate duplicates Z: 55 48.522 2.176 0.864 0.598 0.981 0.519 CB 1.512 55 residues pruned to eliminate duplicates Z: 53 47.077 2.213 0.805 0.621 0.923 0.577 CB 1.580 53 residues pruned to eliminate duplicates Z: 51 44.127 2.204 0.765 0.669 0.940 0.480 CB 1.459 51 residues pruned to eliminate duplicates Z: 50 44.406 2.219 0.734 0.643 0.939 0.490 CB 1.536 50 residues pruned to eliminate duplicates Z: 8 14.623 2.226 0.819 0.516 1.000 0.429 CB 1.343 8 residues pruned to eliminate duplicates Z: 24 18.045 2.070 0.844 0.382 0.913 0.435 CB 1.224 22 residues pruned to eliminate duplicates Z: 6 4.130 1.559 0.616 0.313 0.800 0.400 CA 1.126 6 residues pruned to eliminate duplicates Z: 12 12.253 2.144 0.603 0.308 1.000 0.364 CB 1.330 12 residues pruned to eliminate duplicates Z: 20 31.334 2.091 0.566 0.842 1.000 0.842 CA 1.635 20 residues pruned to eliminate duplicates Z: 14 10.214 1.936 0.255 0.416 1.000 0.538 CB 1.273 14 residues pruned to eliminate duplicates Z: 14 10.617 1.940 0.279 0.419 1.000 0.462 CB 1.291 14 residues pruned to eliminate duplicates Z: 21 11.507 1.923 0.330 0.298 0.900 0.350 CB 1.400 20 residues pruned to eliminate duplicates Z: 7 5.497 1.893 0.277 0.354 0.833 0.333 CB 1.304 7 residues pruned to eliminate duplicates Z: 19 10.545 1.936 0.269 0.382 0.944 0.556 CB 1.214 20 residues pruned to eliminate duplicates Z: 8 5.797 1.765 0.372 0.480 0.857 0.571 CA 1.078 8 residues pruned to eliminate duplicates Z: 26 10.629 1.886 0.198 0.347 0.880 0.680 CB 1.263 26 residues pruned to eliminate duplicates Z: 20 12.666 1.934 0.358 0.375 0.947 0.579 CB 1.334 20 residues pruned to eliminate duplicates Z: 37 14.102 1.850 0.261 0.367 0.917 0.611 CB 1.268 52 residues pruned to eliminate duplicates Z: 6 2.681 1.668 0.130 0.306 0.800 0.400 CB 0.986 Z: 6 2.730 1.441 0.148 0.373 0.800 0.800 CB 1.057 582 residues left after pruning, divided into chains as follows: A: 11 B: 9 C: 7 D: 8 E: 7 F: 6 G: 12 H: 8 I: 13 J: 7 K: 11 L: 7 M: 37 N: 6 O: 12 P: 13 Q: 29 R: 8 S: 16 T: 46 U: 10 V: 9 W: 36 X: 42 Y: 62 Z: 114 Z: 36 CC for partial structure against native data = 22.12 % ------------------------------------------------------------------------------ Global autotracing cycle 5 = 0.300, Contrast = 0.401, Connect. = 0.683 for dens.mod. cycle 1 = 0.300, Contrast = 0.464, Connect. = 0.706 for dens.mod. cycle 2 = 0.300, Contrast = 0.541, Connect. = 0.742 for dens.mod. cycle 3 = 0.300, Contrast = 0.548, Connect. = 0.747 for dens.mod. cycle 4 = 0.300, Contrast = 0.555, Connect. = 0.751 for dens.mod. cycle 5 = 0.300, Contrast = 0.560, Connect. = 0.755 for dens.mod. cycle 6 = 0.300, Contrast = 0.564, Connect. = 0.757 for dens.mod. cycle 7 = 0.300, Contrast = 0.566, Connect. = 0.760 for dens.mod. cycle 8 = 0.300, Contrast = 0.568, Connect. = 0.761 for dens.mod. cycle 9 = 0.300, Contrast = 0.569, Connect. = 0.763 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6551 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1242 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 35.943 2.153 0.570 0.929 1.000 0.905 CA 1.624 B: 11 14.072 1.924 0.555 0.504 1.000 0.700 CB 1.482 C: 33 17.871 2.099 0.441 0.340 0.844 0.438 CB 1.474 D: 21 30.394 2.165 0.712 0.879 0.900 0.650 CB 1.477 E: 18 25.540 2.173 0.539 0.912 0.941 0.588 CB 1.394 18 residues pruned to eliminate duplicates F: 21 32.782 2.220 0.526 0.904 0.950 0.900 CB 1.622 G: 21 34.371 2.285 0.506 0.927 1.000 0.950 CB 1.565 21 residues pruned to eliminate duplicates H: 23 31.543 2.028 0.598 0.881 1.000 0.818 CA 1.502 23 residues pruned to eliminate duplicates I: 22 35.516 2.114 0.759 0.905 1.000 0.714 CA 1.483 21 residues pruned to eliminate duplicates J: 23 29.208 2.039 0.506 0.887 1.000 0.909 CA 1.462 23 residues pruned to eliminate duplicates K: 18 26.558 2.214 0.413 0.923 1.000 0.706 CB 1.447 18 residues pruned to eliminate duplicates L: 12 16.794 1.956 0.356 0.855 1.000 0.727 CB 1.408 M: 21 36.018 2.321 0.434 0.934 1.000 0.850 CB 1.687 21 residues pruned to eliminate duplicates N: 22 29.671 2.180 0.442 0.893 0.952 0.857 CA 1.553 22 residues pruned to eliminate duplicates O: 22 28.084 2.098 0.316 0.887 1.000 0.952 CA 1.600 22 residues pruned to eliminate duplicates P: 18 24.223 2.128 0.418 0.874 0.941 0.882 CB 1.506 18 residues pruned to eliminate duplicates Q: 9 14.139 2.258 0.260 0.804 0.875 0.500 CB 1.540 9 residues pruned to eliminate duplicates R: 37 28.075 2.086 0.486 0.548 0.944 0.722 CA 1.525 12 residues pruned to eliminate duplicates S: 11 13.983 2.120 0.173 0.903 1.000 1.000 CB 1.267 T: 50 41.598 2.177 0.644 0.658 0.918 0.571 CB 1.560 33 residues pruned to eliminate duplicates U: 7 6.126 1.746 0.529 0.547 0.667 0.667 CA 1.343 V: 10 11.776 1.929 0.928 0.364 0.778 0.667 CA 1.571 W: 18 20.898 1.981 0.516 0.870 1.000 0.647 CA 1.232 X: 21 31.211 2.085 0.554 0.907 1.000 0.700 CA 1.531 21 residues pruned to eliminate duplicates Y: 15 17.647 2.198 0.204 0.925 0.929 0.857 CB 1.347 15 residues pruned to eliminate duplicates Z: 21 33.338 2.244 0.529 0.895 1.000 0.500 CB 1.558 21 residues pruned to eliminate duplicates Z: 11 21.816 2.077 0.855 0.902 0.900 0.800 CB 1.419 11 residues pruned to eliminate duplicates Z: 21 40.606 2.285 0.745 0.889 1.000 0.500 CB 1.639 21 residues pruned to eliminate duplicates Z: 8 11.597 1.796 0.674 0.885 1.000 0.714 CB 1.053 8 residues pruned to eliminate duplicates Z: 20 34.936 2.187 0.814 0.911 0.947 0.632 CB 1.512 21 residues pruned to eliminate duplicates Z: 14 15.518 2.123 0.620 0.429 1.000 0.538 CA 1.347 Z: 67 43.879 2.166 0.608 0.580 0.924 0.500 CB 1.554 51 residues pruned to eliminate duplicates Z: 37 25.289 1.998 0.565 0.497 0.917 0.667 CA 1.476 Z: 12 18.511 2.015 0.540 0.805 0.909 0.818 CB 1.516 12 residues pruned to eliminate duplicates Z: 9 14.291 1.946 0.614 0.888 1.000 0.625 CB 1.160 Z: 21 37.812 2.306 0.809 0.913 0.950 0.600 CB 1.510 21 residues pruned to eliminate duplicates Z: 21 37.532 2.290 0.624 0.907 0.950 0.700 CB 1.688 21 residues pruned to eliminate duplicates Z: 8 8.544 1.849 0.874 0.438 0.857 0.571 CA 1.159 Z: 21 28.966 2.116 0.467 0.922 1.000 0.900 CA 1.468 21 residues pruned to eliminate duplicates Z: 15 13.373 1.958 0.702 0.432 0.857 0.571 CA 1.343 Z: 18 33.540 2.236 0.823 0.917 0.941 0.588 CB 1.496 18 residues pruned to eliminate duplicates Z: 8 5.957 1.837 0.151 0.520 0.857 0.714 CB 1.218 Z: 7 3.726 1.570 0.474 0.630 0.833 0.667 CB 0.698 Z: 21 17.217 2.059 0.555 0.383 0.850 0.550 CA 1.602 19 residues pruned to eliminate duplicates Z: 23 34.646 2.102 0.537 0.917 1.000 0.909 CB 1.613 23 residues pruned to eliminate duplicates Z: 19 35.507 2.209 0.791 0.894 1.000 0.778 CB 1.518 20 residues pruned to eliminate duplicates Z: 7 8.898 1.598 0.392 0.759 1.000 0.667 CA 1.297 Z: 20 51.454 2.299 1.101 0.948 1.000 0.632 CB 1.688 20 residues pruned to eliminate duplicates Z: 21 20.364 2.260 0.697 0.341 0.900 0.550 CB 1.568 5 residues pruned to eliminate duplicates Z: 57 42.335 2.152 0.655 0.573 0.946 0.607 CA 1.565 31 residues pruned to eliminate duplicates Z: 10 14.196 1.758 0.851 0.836 1.000 0.778 CA 1.088 9 residues pruned to eliminate duplicates Z: 57 37.947 2.120 0.675 0.538 0.911 0.571 CB 1.510 57 residues pruned to eliminate duplicates Z: 8 5.912 1.911 0.273 0.443 0.714 0.571 CB 1.364 Z: 13 14.577 1.781 0.525 0.835 1.000 0.750 CB 1.161 13 residues pruned to eliminate duplicates Z: 15 23.119 2.061 0.827 0.755 1.000 0.571 CB 1.308 15 residues pruned to eliminate duplicates Z: 13 10.843 1.904 0.866 0.437 0.750 0.583 CB 1.253 Z: 30 19.276 2.090 0.432 0.366 0.828 0.621 CA 1.669 30 residues pruned to eliminate duplicates Z: 8 10.635 2.026 0.419 0.541 0.857 0.857 CB 1.568 7 residues pruned to eliminate duplicates Z: 17 10.941 1.873 0.666 0.393 0.875 0.375 CB 1.121 17 residues pruned to eliminate duplicates Z: 11 21.375 2.003 0.759 0.887 1.000 0.900 CA 1.384 12 residues pruned to eliminate duplicates Z: 29 23.153 1.957 0.687 0.416 0.929 0.500 CA 1.559 25 residues pruned to eliminate duplicates Z: 11 20.389 2.094 0.445 0.898 1.000 0.800 CB 1.525 11 residues pruned to eliminate duplicates Z: 20 36.472 2.126 0.591 0.945 1.000 0.842 CB 1.712 20 residues pruned to eliminate duplicates Z: 16 16.767 1.943 0.449 0.508 1.000 0.600 CB 1.525 7 residues pruned to eliminate duplicates Z: 24 18.478 1.929 0.562 0.535 0.870 0.696 CB 1.420 14 residues pruned to eliminate duplicates Z: 9 10.220 1.757 0.404 0.562 1.000 0.625 CA 1.380 Z: 15 30.671 2.223 0.846 0.900 0.929 0.786 CB 1.536 14 residues pruned to eliminate duplicates Z: 13 11.066 1.919 0.753 0.536 0.833 0.667 CA 1.099 13 residues pruned to eliminate duplicates Z: 7 8.998 1.592 0.479 0.803 1.000 0.833 CA 1.198 7 residues pruned to eliminate duplicates Z: 11 10.574 2.010 0.414 0.391 1.000 0.500 CB 1.320 11 residues pruned to eliminate duplicates Z: 8 6.593 1.918 0.484 0.602 0.857 0.714 CA 0.927 9 residues pruned to eliminate duplicates Z: 30 28.847 2.076 0.506 0.648 0.931 0.724 CA 1.603 21 residues pruned to eliminate duplicates Z: 27 20.445 2.037 0.586 0.429 0.885 0.615 CA 1.511 28 residues pruned to eliminate duplicates Z: 8 9.857 1.848 0.220 0.675 1.000 0.857 CB 1.406 10 residues pruned to eliminate duplicates Z: 12 16.371 2.121 0.546 0.909 1.000 0.545 CB 1.068 12 residues pruned to eliminate duplicates Z: 10 8.153 1.642 0.465 0.883 1.000 1.000 CA 0.817 10 residues pruned to eliminate duplicates Z: 59 40.280 2.154 0.596 0.603 0.966 0.621 CB 1.445 59 residues pruned to eliminate duplicates Z: 20 41.257 2.350 0.833 0.900 0.947 0.737 CB 1.658 20 residues pruned to eliminate duplicates Z: 55 26.962 2.034 0.414 0.484 0.870 0.444 CB 1.489 55 residues pruned to eliminate duplicates Z: 43 37.184 2.166 0.440 0.729 0.976 0.810 CA 1.533 43 residues pruned to eliminate duplicates Z: 19 32.787 2.262 0.575 0.915 1.000 1.000 CB 1.533 19 residues pruned to eliminate duplicates Z: 10 14.067 1.934 0.515 0.567 1.000 0.667 CB 1.501 11 residues pruned to eliminate duplicates Z: 21 39.032 2.178 0.781 0.922 1.000 0.450 CB 1.582 22 residues pruned to eliminate duplicates Z: 14 15.256 1.960 0.352 0.538 1.000 0.692 CB 1.538 14 residues pruned to eliminate duplicates Z: 21 50.434 2.323 1.051 0.938 1.000 0.600 CB 1.646 21 residues pruned to eliminate duplicates Z: 35 27.460 2.055 0.537 0.520 0.941 0.588 CB 1.554 35 residues pruned to eliminate duplicates Z: 37 25.105 2.015 0.491 0.463 0.944 0.611 CA 1.532 37 residues pruned to eliminate duplicates Z: 20 29.698 2.239 0.424 0.925 1.000 0.737 CB 1.500 20 residues pruned to eliminate duplicates Z: 20 32.421 2.000 1.015 0.931 1.000 0.842 CA 1.290 18 residues pruned to eliminate duplicates Z: 38 32.560 2.070 0.596 0.550 0.973 0.622 CA 1.586 38 residues pruned to eliminate duplicates Z: 20 18.284 2.092 0.473 0.409 0.947 0.579 CA 1.581 20 residues pruned to eliminate duplicates Z: 13 36.496 2.274 0.870 0.904 1.000 0.833 CA 1.764 13 residues pruned to eliminate duplicates Z: 42 35.611 2.132 0.548 0.683 0.927 0.780 CB 1.536 42 residues pruned to eliminate duplicates Z: 21 39.254 2.193 0.665 0.942 1.000 0.850 CB 1.667 21 residues pruned to eliminate duplicates Z: 15 18.503 2.136 0.577 0.914 0.857 0.714 CA 1.211 15 residues pruned to eliminate duplicates Z: 11 12.125 1.927 0.225 0.893 1.000 0.700 CB 1.166 10 residues pruned to eliminate duplicates Z: 72 48.293 2.217 0.703 0.575 0.915 0.549 CB 1.541 91 residues pruned to eliminate duplicates Z: 17 11.416 1.771 0.508 0.409 0.875 0.562 CB 1.344 Z: 40 11.768 1.892 0.119 0.344 0.846 0.410 CB 1.247 Z: 7 3.849 1.631 -0.234 0.523 1.000 0.667 CB 1.229 Z: 13 12.095 2.079 0.516 0.456 0.833 0.583 CA 1.391 13 residues pruned to eliminate duplicates Z: 30 19.735 2.003 0.725 0.411 0.828 0.586 CB 1.407 26 residues pruned to eliminate duplicates Z: 11 18.317 2.224 0.499 0.615 0.900 0.600 CA 1.732 11 residues pruned to eliminate duplicates Z: 11 4.280 1.550 -0.053 0.555 0.900 0.500 CB 0.971 Z: 18 17.000 1.969 0.305 0.859 0.882 0.588 CA 1.338 18 residues pruned to eliminate duplicates Z: 36 24.442 2.021 0.553 0.486 0.914 0.686 CA 1.460 36 residues pruned to eliminate duplicates Z: 15 15.380 1.779 0.477 0.773 0.929 0.643 CB 1.323 10 residues pruned to eliminate duplicates Z: 53 30.996 2.096 0.509 0.519 0.904 0.692 CA 1.476 53 residues pruned to eliminate duplicates Z: 24 16.067 2.101 0.555 0.344 0.783 0.522 CA 1.552 24 residues pruned to eliminate duplicates Z: 7 11.258 1.991 0.691 0.583 0.833 0.500 CA 1.513 7 residues pruned to eliminate duplicates Z: 19 31.223 2.199 0.779 0.897 0.889 0.556 CB 1.514 19 residues pruned to eliminate duplicates Z: 7 12.360 1.886 0.702 0.708 1.000 0.667 CB 1.301 8 residues pruned to eliminate duplicates Z: 13 14.542 1.877 0.525 0.512 1.000 0.833 CB 1.449 17 residues pruned to eliminate duplicates Z: 38 13.517 1.882 0.230 0.340 0.865 0.595 CB 1.322 38 residues pruned to eliminate duplicates Z: 29 21.721 2.047 0.575 0.367 0.893 0.429 CA 1.644 29 residues pruned to eliminate duplicates Z: 33 19.609 2.022 0.541 0.455 0.844 0.594 CA 1.381 33 residues pruned to eliminate duplicates Z: 23 11.937 1.903 0.314 0.308 0.864 0.455 CA 1.459 23 residues pruned to eliminate duplicates Z: 14 11.812 1.865 0.522 0.602 0.846 0.615 CB 1.238 14 residues pruned to eliminate duplicates Z: 43 27.629 2.034 0.465 0.555 0.905 0.667 CA 1.499 43 residues pruned to eliminate duplicates Z: 21 34.985 2.157 0.742 0.915 1.000 0.500 CB 1.472 21 residues pruned to eliminate duplicates Z: 10 19.746 2.091 0.641 0.891 1.000 0.667 CB 1.379 10 residues pruned to eliminate duplicates Z: 14 12.853 1.955 0.543 0.540 0.846 0.538 CB 1.344 15 residues pruned to eliminate duplicates Z: 18 38.155 2.205 0.890 0.943 1.000 0.824 CB 1.540 18 residues pruned to eliminate duplicates Z: 37 21.497 1.983 0.523 0.432 0.861 0.583 CB 1.477 37 residues pruned to eliminate duplicates Z: 42 19.386 2.000 0.471 0.420 0.854 0.585 CA 1.310 42 residues pruned to eliminate duplicates Z: 13 9.071 1.912 0.655 0.477 0.917 0.583 CB 0.924 Z: 14 9.729 1.937 0.464 0.370 0.923 0.538 CA 1.185 3 residues pruned to eliminate duplicates Z: 21 33.067 2.136 0.563 0.910 1.000 0.800 CA 1.571 21 residues pruned to eliminate duplicates Z: 25 24.017 2.017 0.497 0.742 0.875 0.583 CB 1.494 24 residues pruned to eliminate duplicates Z: 7 2.487 1.528 0.258 0.374 0.667 0.500 CB 0.906 7 residues pruned to eliminate duplicates Z: 11 4.172 1.642 0.314 0.206 0.700 0.300 CA 1.237 9 residues pruned to eliminate duplicates Z: 28 18.240 2.028 0.446 0.381 0.852 0.444 CA 1.594 28 residues pruned to eliminate duplicates Z: 6 3.255 1.842 -0.389 0.694 1.000 0.800 CB 1.083 Z: 35 13.706 1.987 0.421 0.280 0.824 0.588 CB 1.296 34 residues pruned to eliminate duplicates Z: 16 13.588 2.086 0.396 0.423 0.933 0.533 CB 1.399 16 residues pruned to eliminate duplicates Z: 7 5.765 1.914 0.282 0.797 0.667 0.667 CB 1.110 7 residues pruned to eliminate duplicates Z: 10 14.739 2.030 0.718 0.833 1.000 0.778 CB 1.057 10 residues pruned to eliminate duplicates Z: 10 5.592 2.043 0.474 0.404 0.667 0.556 CA 1.028 10 residues pruned to eliminate duplicates Z: 25 24.886 2.118 0.877 0.453 0.917 0.708 CB 1.463 26 residues pruned to eliminate duplicates Z: 9 6.824 1.759 0.318 0.483 0.875 0.625 CB 1.210 Z: 10 8.193 2.055 0.097 0.450 0.889 0.444 CA 1.435 Z: 6 6.970 1.776 0.904 0.630 0.800 0.600 CB 1.020 Z: 30 12.988 1.941 0.432 0.267 0.897 0.448 CB 1.263 30 residues pruned to eliminate duplicates Z: 37 22.073 2.007 0.513 0.467 0.861 0.750 CA 1.455 37 residues pruned to eliminate duplicates Z: 7 13.080 1.948 0.468 0.642 1.000 0.667 N 1.635 Z: 15 7.789 1.780 0.317 0.399 0.857 0.429 CB 1.152 15 residues pruned to eliminate duplicates Z: 29 18.441 1.960 0.775 0.311 0.857 0.357 CB 1.441 29 residues pruned to eliminate duplicates Z: 9 9.272 1.679 0.784 0.600 0.875 0.750 CB 1.137 Z: 20 25.037 2.029 0.692 0.909 0.947 0.737 CA 1.253 20 residues pruned to eliminate duplicates Z: 9 5.059 1.796 0.248 0.387 0.625 0.500 CB 1.440 6 residues pruned to eliminate duplicates Z: 6 3.514 1.629 -0.178 0.490 1.000 0.400 CB 1.186 Z: 13 9.568 1.790 0.631 0.473 0.750 0.500 CA 1.297 8 residues pruned to eliminate duplicates Z: 12 14.985 1.879 0.568 0.516 1.000 0.636 CA 1.509 12 residues pruned to eliminate duplicates Z: 22 29.757 2.140 0.325 0.926 1.000 0.857 CA 1.606 22 residues pruned to eliminate duplicates Z: 11 7.329 1.666 0.516 0.331 0.900 0.600 CA 1.226 7 residues pruned to eliminate duplicates 6 1.433 1.749 -0.505 0.415 0.800 0.400 CB 1.011 ? Z: 26 22.034 2.046 0.704 0.432 0.840 0.680 CA 1.616 26 residues pruned to eliminate duplicates Z: 14 10.088 1.934 0.488 0.354 0.846 0.538 CA 1.345 14 residues pruned to eliminate duplicates Z: 21 8.908 1.867 0.259 0.388 0.850 0.550 CB 1.123 23 residues pruned to eliminate duplicates Z: 15 6.871 1.738 0.382 0.377 0.786 0.500 CB 1.109 15 residues pruned to eliminate duplicates Z: 6 5.032 1.744 0.366 0.537 1.000 0.800 CB 0.911 Z: 16 20.539 1.995 0.481 0.704 1.000 0.667 CB 1.491 16 residues pruned to eliminate duplicates Z: 8 4.642 1.502 0.045 0.693 0.857 0.571 CB 1.093 8 residues pruned to eliminate duplicates Z: 25 12.247 2.026 0.367 0.392 0.708 0.333 CB 1.428 25 residues pruned to eliminate duplicates Z: 15 12.505 1.994 0.685 0.462 0.857 0.571 CB 1.205 20 residues pruned to eliminate duplicates Z: 14 10.883 1.972 0.652 0.375 0.846 0.462 CB 1.251 14 residues pruned to eliminate duplicates Z: 17 31.191 1.985 1.111 0.889 1.000 0.375 CB 1.339 18 residues pruned to eliminate duplicates Z: 10 13.562 2.100 0.550 0.612 0.889 0.556 CA 1.405 10 residues pruned to eliminate duplicates Z: 15 17.807 1.798 0.834 0.811 0.929 0.429 CB 1.185 15 residues pruned to eliminate duplicates Z: 20 12.150 1.794 0.541 0.451 0.842 0.526 CB 1.259 20 residues pruned to eliminate duplicates Z: 22 16.439 1.938 0.539 0.420 0.857 0.571 CB 1.525 23 residues pruned to eliminate duplicates Z: 23 12.528 1.891 0.238 0.434 0.773 0.500 CA 1.582 23 residues pruned to eliminate duplicates Z: 8 13.849 1.963 0.492 0.624 1.000 0.714 CB 1.590 9 residues pruned to eliminate duplicates Z: 37 30.090 2.182 0.578 0.544 0.861 0.611 CA 1.620 38 residues pruned to eliminate duplicates Z: 18 10.355 1.822 0.568 0.357 1.000 0.529 CB 1.026 10 residues pruned to eliminate duplicates Z: 35 17.228 2.052 0.488 0.329 0.794 0.500 CB 1.470 35 residues pruned to eliminate duplicates Z: 15 17.854 2.105 0.885 0.457 0.857 0.500 CB 1.466 15 residues pruned to eliminate duplicates Z: 19 30.877 2.203 0.518 0.923 1.000 0.833 CA 1.529 19 residues pruned to eliminate duplicates Z: 9 9.797 1.881 0.513 0.487 0.875 0.500 CB 1.410 9 residues pruned to eliminate duplicates Z: 33 19.246 2.109 0.490 0.345 0.844 0.438 CB 1.518 32 residues pruned to eliminate duplicates Z: 19 25.919 1.973 0.838 0.920 1.000 0.556 CA 1.186 19 residues pruned to eliminate duplicates Z: 20 28.706 2.247 0.433 0.860 1.000 0.526 CB 1.503 20 residues pruned to eliminate duplicates Z: 17 10.754 1.935 0.147 0.385 0.938 0.500 CB 1.459 17 residues pruned to eliminate duplicates Z: 7 3.477 1.531 0.196 0.529 0.833 0.500 CB 0.904 7 residues pruned to eliminate duplicates Z: 11 15.945 2.032 0.840 0.552 1.000 0.800 CB 1.282 13 residues pruned to eliminate duplicates Z: 7 5.033 1.727 -0.052 0.595 1.000 0.833 CA 1.146 7 residues pruned to eliminate duplicates Z: 12 7.633 1.570 0.510 0.477 0.818 0.545 CA 1.214 12 residues pruned to eliminate duplicates Z: 34 16.603 2.067 0.440 0.338 0.848 0.515 CB 1.365 34 residues pruned to eliminate duplicates Z: 9 6.966 1.673 0.338 0.438 1.000 0.375 N 1.173 9 residues pruned to eliminate duplicates Z: 21 31.706 2.158 0.674 0.876 0.950 0.600 CB 1.501 21 residues pruned to eliminate duplicates Z: 25 17.337 2.009 0.407 0.613 0.917 0.500 CB 1.227 25 residues pruned to eliminate duplicates Z: 10 17.120 2.016 0.741 0.849 1.000 0.667 CB 1.206 11 residues pruned to eliminate duplicates Z: 18 12.181 1.805 0.211 0.552 0.882 0.588 CB 1.455 18 residues pruned to eliminate duplicates Z: 8 5.907 1.808 0.659 0.536 0.857 0.571 CB 0.838 8 residues pruned to eliminate duplicates Z: 10 15.739 2.000 0.523 0.547 1.000 0.778 CB 1.645 10 residues pruned to eliminate duplicates Z: 37 21.958 1.971 0.501 0.474 0.917 0.639 CA 1.386 37 residues pruned to eliminate duplicates Z: 19 27.813 2.167 0.649 0.805 0.889 0.667 CA 1.582 19 residues pruned to eliminate duplicates Z: 12 10.779 1.976 0.129 0.800 0.909 0.818 CB 1.233 12 residues pruned to eliminate duplicates Z: 11 6.510 1.746 0.146 0.451 0.900 0.500 CB 1.202 7 residues pruned to eliminate duplicates Z: 14 9.980 1.855 0.669 0.417 0.923 0.692 CA 1.057 14 residues pruned to eliminate duplicates Z: 8 9.540 2.017 0.294 0.467 1.000 0.429 CA 1.427 8 residues pruned to eliminate duplicates Z: 17 8.877 1.840 0.064 0.414 0.938 0.688 CB 1.322 15 residues pruned to eliminate duplicates Z: 23 26.499 2.088 0.337 0.890 0.955 0.727 CA 1.525 23 residues pruned to eliminate duplicates Z: 10 9.058 2.024 0.732 0.314 0.778 0.556 CB 1.360 10 residues pruned to eliminate duplicates Z: 10 14.433 2.111 0.789 0.658 0.778 0.667 CB 1.415 10 residues pruned to eliminate duplicates Z: 21 18.497 2.187 0.630 0.398 0.900 0.600 CA 1.436 21 residues pruned to eliminate duplicates Z: 12 13.550 2.143 0.714 0.420 0.909 0.545 CA 1.330 12 residues pruned to eliminate duplicates Z: 6 5.741 1.655 0.226 0.459 1.000 0.600 CA 1.318 8 residues pruned to eliminate duplicates Z: 8 13.110 1.968 0.506 0.668 1.000 0.571 CA 1.431 8 residues pruned to eliminate duplicates Z: 20 22.482 1.963 0.596 0.861 0.947 0.579 CA 1.277 20 residues pruned to eliminate duplicates Z: 8 3.744 1.672 -0.025 0.281 0.857 0.429 CB 1.296 Z: 11 20.338 1.982 0.541 0.872 1.000 0.600 CB 1.535 11 residues pruned to eliminate duplicates Z: 8 6.332 1.789 0.340 0.665 1.000 0.571 CA 0.857 8 residues pruned to eliminate duplicates Z: 8 8.388 1.753 0.716 0.467 0.857 0.571 CB 1.272 7 residues pruned to eliminate duplicates Z: 16 13.393 1.853 0.479 0.478 0.933 0.600 CB 1.381 17 residues pruned to eliminate duplicates Z: 7 7.789 1.825 0.653 0.455 0.833 0.500 CB 1.324 7 residues pruned to eliminate duplicates Z: 21 43.134 2.321 0.895 0.913 0.950 0.600 CB 1.634 21 residues pruned to eliminate duplicates Z: 9 14.486 1.752 0.935 0.855 1.000 1.000 CA 1.115 9 residues pruned to eliminate duplicates Z: 6 5.650 1.594 1.101 0.477 0.800 0.400 CB 0.965 Z: 29 20.052 2.005 0.540 0.443 0.893 0.607 CA 1.457 29 residues pruned to eliminate duplicates Z: 11 10.412 1.830 0.555 0.800 0.700 0.700 CB 1.272 11 residues pruned to eliminate duplicates Z: 6 3.212 1.512 0.174 0.301 0.800 0.600 CB 1.263 Z: 15 6.444 1.788 0.314 0.393 0.786 0.357 CB 1.045 Z: 10 8.229 2.034 0.522 0.388 0.778 0.222 CB 1.283 Z: 21 29.197 2.213 0.504 0.852 0.900 0.750 CB 1.613 21 residues pruned to eliminate duplicates Z: 36 17.320 2.001 0.514 0.307 0.857 0.371 CB 1.396 34 residues pruned to eliminate duplicates Z: 65 41.535 2.133 0.539 0.610 0.922 0.547 CB 1.546 65 residues pruned to eliminate duplicates Z: 9 6.105 1.742 0.378 0.519 0.750 0.625 N 1.177 9 residues pruned to eliminate duplicates Z: 13 7.661 1.691 0.225 0.432 0.917 0.500 CB 1.250 11 residues pruned to eliminate duplicates Z: 10 2.116 1.612 0.077 0.316 0.778 0.556 CB 0.641 10 residues pruned to eliminate duplicates Z: 10 7.455 1.739 0.510 0.478 0.889 0.444 CB 1.089 10 residues pruned to eliminate duplicates Z: 13 8.212 1.759 0.388 0.362 0.833 0.500 CB 1.351 13 residues pruned to eliminate duplicates Z: 12 8.491 1.764 0.617 0.358 0.818 0.545 CB 1.278 10 residues pruned to eliminate duplicates Z: 6 3.883 1.659 0.323 0.427 0.600 0.400 CA 1.423 Z: 11 5.980 2.001 0.189 0.340 0.700 0.500 CB 1.353 11 residues pruned to eliminate duplicates Z: 6 7.892 1.802 0.774 0.501 0.800 0.400 CA 1.379 6 residues pruned to eliminate duplicates Z: 20 44.328 2.259 1.057 0.917 0.947 0.789 CB 1.630 20 residues pruned to eliminate duplicates Z: 37 24.214 2.010 0.540 0.450 0.917 0.667 CA 1.497 37 residues pruned to eliminate duplicates Z: 6 7.157 1.682 0.114 0.759 1.000 0.600 N 1.357 Z: 22 22.054 2.050 0.182 0.865 1.000 0.857 CA 1.455 22 residues pruned to eliminate duplicates Z: 6 6.613 1.595 0.504 0.596 1.000 0.600 N 1.125 7 residues pruned to eliminate duplicates Z: 18 7.205 1.738 0.400 0.283 0.765 0.412 CB 1.200 18 residues pruned to eliminate duplicates Z: 8 2.624 1.691 0.353 0.291 0.571 0.429 CB 0.959 8 residues pruned to eliminate duplicates Z: 42 26.590 2.102 0.687 0.447 0.902 0.488 CA 1.371 42 residues pruned to eliminate duplicates Z: 23 38.854 2.122 0.727 0.925 0.955 0.909 CA 1.661 22 residues pruned to eliminate duplicates Z: 12 10.278 1.889 0.511 0.584 0.818 0.455 CA 1.224 11 residues pruned to eliminate duplicates Z: 34 26.837 1.984 0.778 0.521 0.909 0.576 CA 1.427 29 residues pruned to eliminate duplicates Z: 29 18.864 2.020 0.571 0.447 0.893 0.714 CB 1.329 22 residues pruned to eliminate duplicates Z: 35 30.836 2.065 0.570 0.698 0.912 0.706 CB 1.493 35 residues pruned to eliminate duplicates Z: 26 21.368 2.076 0.416 0.458 0.920 0.600 CA 1.649 26 residues pruned to eliminate duplicates Z: 10 13.375 2.013 0.557 0.600 1.000 0.556 CA 1.293 7 residues pruned to eliminate duplicates Z: 21 32.391 2.257 0.592 0.898 0.950 0.750 CB 1.519 21 residues pruned to eliminate duplicates Z: 50 37.237 2.158 0.605 0.579 0.918 0.735 CA 1.550 50 residues pruned to eliminate duplicates Z: 18 20.452 2.149 0.313 0.902 0.941 0.882 CB 1.332 18 residues pruned to eliminate duplicates Z: 22 13.446 2.043 0.283 0.420 0.762 0.524 CA 1.597 22 residues pruned to eliminate duplicates Z: 31 14.984 1.995 0.761 0.393 0.733 0.333 CB 1.190 31 residues pruned to eliminate duplicates Z: 11 10.257 1.676 0.437 0.810 1.000 0.700 CB 1.028 11 residues pruned to eliminate duplicates Z: 19 23.845 2.022 0.784 0.909 0.889 0.722 CA 1.244 19 residues pruned to eliminate duplicates Z: 23 40.024 2.115 0.787 0.924 0.955 0.636 CB 1.661 23 residues pruned to eliminate duplicates Z: 6 8.440 1.487 0.754 0.833 1.000 1.000 CA 1.086 6 residues pruned to eliminate duplicates Z: 14 22.265 2.115 0.599 0.674 1.000 0.846 CA 1.556 14 residues pruned to eliminate duplicates Z: 20 49.506 2.372 0.973 0.927 1.000 0.789 CB 1.701 20 residues pruned to eliminate duplicates Z: 20 35.030 2.225 0.874 0.937 0.947 0.421 CB 1.416 20 residues pruned to eliminate duplicates Z: 12 6.807 1.655 0.491 0.359 0.818 0.545 CB 1.184 12 residues pruned to eliminate duplicates Z: 38 22.339 1.957 0.737 0.479 0.865 0.459 CB 1.276 38 residues pruned to eliminate duplicates Z: 7 3.746 1.599 0.262 0.532 0.833 0.500 CB 0.881 Z: 10 14.369 2.156 0.474 0.615 0.889 0.556 CA 1.520 11 residues pruned to eliminate duplicates Z: 11 12.272 1.918 0.559 0.449 0.900 0.500 CB 1.519 11 residues pruned to eliminate duplicates Z: 7 8.219 2.223 0.485 0.859 0.833 0.667 CB 0.898 7 residues pruned to eliminate duplicates Z: 11 3.207 1.429 0.264 0.327 0.700 0.300 N 0.970 Z: 13 10.128 1.787 0.295 0.606 0.833 0.750 CB 1.370 13 residues pruned to eliminate duplicates Z: 8 5.796 1.830 0.173 0.378 1.000 0.429 CA 1.162 8 residues pruned to eliminate duplicates Z: 21 25.953 2.049 0.750 0.839 0.900 0.500 CB 1.343 21 residues pruned to eliminate duplicates Z: 10 10.756 1.840 0.077 0.867 1.000 0.889 CB 1.324 10 residues pruned to eliminate duplicates Z: 10 11.030 1.959 0.582 0.417 1.000 0.556 CB 1.293 11 residues pruned to eliminate duplicates Z: 12 8.866 1.691 0.470 0.552 0.909 0.636 CA 1.124 10 residues pruned to eliminate duplicates Z: 6 4.630 1.864 0.162 0.696 0.800 0.400 CA 0.999 Z: 28 18.772 2.067 0.717 0.360 0.852 0.519 CB 1.390 28 residues pruned to eliminate duplicates Z: 13 5.810 1.773 0.117 0.488 0.833 0.583 CB 1.029 Z: 15 12.177 1.816 0.689 0.575 0.929 0.571 CB 1.062 13 residues pruned to eliminate duplicates Z: 24 21.989 1.966 0.596 0.518 0.957 0.522 CA 1.500 24 residues pruned to eliminate duplicates Z: 15 9.238 1.870 0.165 0.461 0.857 0.500 CA 1.375 15 residues pruned to eliminate duplicates Z: 17 10.850 1.935 0.299 0.432 0.750 0.312 CB 1.543 17 residues pruned to eliminate duplicates Z: 13 4.817 1.733 0.097 0.449 0.833 0.583 CB 0.925 15 residues pruned to eliminate duplicates Z: 42 30.283 2.097 0.566 0.559 0.878 0.634 CA 1.549 42 residues pruned to eliminate duplicates Z: 22 13.540 2.030 0.337 0.391 0.857 0.524 CB 1.424 22 residues pruned to eliminate duplicates Z: 6 16.113 2.167 0.730 0.819 1.000 0.400 CB 1.457 6 residues pruned to eliminate duplicates Z: 7 2.462 1.469 0.349 0.551 0.667 0.667 N 0.724 6 residues pruned to eliminate duplicates Z: 24 12.560 1.873 0.517 0.471 0.870 0.565 CB 1.092 24 residues pruned to eliminate duplicates Z: 36 23.822 2.012 0.542 0.479 0.886 0.714 CA 1.496 36 residues pruned to eliminate duplicates Z: 7 3.947 1.715 -0.108 0.564 0.833 0.833 CB 1.189 Z: 22 28.110 1.973 0.567 0.873 1.000 0.810 CA 1.445 22 residues pruned to eliminate duplicates Z: 7 5.335 1.578 0.271 0.548 0.833 0.667 CA 1.244 Z: 7 6.760 1.639 0.584 0.569 0.833 0.500 N 1.193 6 residues pruned to eliminate duplicates Z: 7 4.713 1.612 0.173 0.465 0.833 0.500 CB 1.265 5 residues pruned to eliminate duplicates Z: 8 2.613 1.531 0.442 0.208 0.571 0.429 CA 1.106 Z: 8 16.929 2.013 0.684 0.768 1.000 0.571 CB 1.488 8 residues pruned to eliminate duplicates Z: 10 17.835 2.086 0.925 0.648 0.889 0.778 CB 1.450 10 residues pruned to eliminate duplicates Z: 11 14.205 1.872 0.331 0.911 1.000 0.800 CB 1.277 16 residues pruned to eliminate duplicates Z: 11 7.210 1.726 0.170 0.488 0.900 0.700 CB 1.270 11 residues pruned to eliminate duplicates Z: 8 8.890 1.889 0.364 0.624 0.857 0.857 CA 1.353 8 residues pruned to eliminate duplicates Z: 6 2.768 1.653 0.641 0.294 0.800 0.400 CB 0.718 Z: 6 2.330 1.555 0.577 0.488 0.800 0.800 CB 0.538 Z: 10 9.941 1.939 -0.023 0.893 1.000 0.889 CA 1.256 10 residues pruned to eliminate duplicates Z: 6 8.768 1.713 0.478 0.610 1.000 0.600 CA 1.395 6 residues pruned to eliminate duplicates Z: 20 27.060 2.084 0.609 0.908 0.947 0.842 CB 1.388 20 residues pruned to eliminate duplicates Z: 14 11.490 1.754 0.344 0.870 1.000 1.000 CB 0.987 14 residues pruned to eliminate duplicates Z: 6 6.417 1.722 0.438 0.462 1.000 0.600 CB 1.205 Z: 36 19.613 2.033 0.532 0.335 0.800 0.314 CA 1.594 36 residues pruned to eliminate duplicates Z: 10 4.089 1.916 0.322 0.523 0.778 0.444 CB 0.676 Z: 6 3.238 1.414 0.341 0.427 0.800 0.600 N 1.029 Z: 10 15.054 1.758 0.963 0.797 1.000 0.667 CA 1.122 10 residues pruned to eliminate duplicates Z: 9 10.215 1.807 0.608 0.544 0.875 0.625 CA 1.360 9 residues pruned to eliminate duplicates Z: 29 26.153 2.072 0.433 0.684 0.929 0.786 CB 1.514 29 residues pruned to eliminate duplicates Z: 14 11.682 1.873 0.349 0.449 0.923 0.385 CB 1.465 14 residues pruned to eliminate duplicates Z: 21 40.784 2.307 0.757 0.932 0.950 0.600 CB 1.653 21 residues pruned to eliminate duplicates Z: 7 11.405 1.969 0.761 0.635 1.000 0.833 CA 1.182 7 residues pruned to eliminate duplicates Z: 13 9.714 1.820 0.212 0.407 0.917 0.500 N 1.528 12 residues pruned to eliminate duplicates Z: 18 8.511 1.676 0.560 0.412 0.765 0.647 CA 1.132 18 residues pruned to eliminate duplicates Z: 15 6.318 1.748 0.341 0.410 0.786 0.429 CA 1.007 15 residues pruned to eliminate duplicates Z: 11 7.469 1.745 0.274 0.462 1.000 0.500 CB 1.104 11 residues pruned to eliminate duplicates Z: 34 28.847 2.097 0.699 0.606 0.970 0.606 CA 1.314 34 residues pruned to eliminate duplicates Z: 10 14.800 1.975 0.396 0.564 1.000 0.778 CA 1.681 10 residues pruned to eliminate duplicates Z: 11 9.807 1.930 0.292 0.587 1.000 0.800 CA 1.144 11 residues pruned to eliminate duplicates Z: 30 16.295 2.076 0.432 0.373 0.862 0.414 CB 1.353 27 residues pruned to eliminate duplicates Z: 15 7.093 1.722 0.637 0.388 0.714 0.500 CB 1.060 15 residues pruned to eliminate duplicates Z: 38 22.383 1.945 0.502 0.462 0.919 0.649 CA 1.424 38 residues pruned to eliminate duplicates Z: 10 17.541 1.922 0.879 0.852 1.000 0.444 CB 1.197 10 residues pruned to eliminate duplicates Z: 12 13.891 2.057 0.245 0.537 1.000 0.818 CA 1.578 12 residues pruned to eliminate duplicates Z: 7 5.176 1.712 -0.093 0.435 1.000 0.500 CB 1.456 4 residues pruned to eliminate duplicates Z: 33 38.250 2.163 0.815 0.706 0.938 0.594 CA 1.523 33 residues pruned to eliminate duplicates Z: 8 8.950 1.670 0.434 0.592 1.000 0.857 C 1.294 8 residues pruned to eliminate duplicates Z: 10 10.218 1.788 0.736 0.803 0.889 0.556 CB 0.947 10 residues pruned to eliminate duplicates Z: 34 21.513 2.037 0.469 0.443 0.848 0.545 CA 1.564 34 residues pruned to eliminate duplicates Z: 16 12.363 1.902 0.281 0.594 0.933 0.867 CB 1.284 16 residues pruned to eliminate duplicates Z: 21 35.000 2.191 0.751 0.923 0.950 0.700 CB 1.509 21 residues pruned to eliminate duplicates Z: 17 22.030 2.029 0.530 0.901 1.000 0.750 CA 1.266 17 residues pruned to eliminate duplicates Z: 9 10.926 2.018 0.663 0.877 0.875 0.375 CB 0.955 9 residues pruned to eliminate duplicates Z: 19 21.508 2.027 0.333 0.900 0.944 0.722 CA 1.419 19 residues pruned to eliminate duplicates Z: 15 13.049 2.165 0.407 0.406 0.786 0.500 CA 1.608 15 residues pruned to eliminate duplicates Z: 9 9.839 1.824 0.468 0.493 0.875 0.500 N 1.495 7 residues pruned to eliminate duplicates Z: 9 14.534 2.144 0.620 0.576 1.000 0.750 CA 1.375 9 residues pruned to eliminate duplicates Z: 31 28.040 2.058 0.546 0.595 0.967 0.633 CA 1.521 31 residues pruned to eliminate duplicates Z: 16 20.843 2.072 0.486 0.930 1.000 0.800 CA 1.222 16 residues pruned to eliminate duplicates Z: 21 22.166 2.174 0.183 0.899 0.950 0.750 CB 1.450 21 residues pruned to eliminate duplicates Z: 43 24.646 2.078 0.535 0.379 0.905 0.595 CA 1.500 33 residues pruned to eliminate duplicates Z: 10 7.155 1.741 0.716 0.541 0.778 0.778 CA 0.986 10 residues pruned to eliminate duplicates Z: 6 2.456 1.388 0.436 0.399 0.800 0.400 CB 0.766 Z: 49 43.192 2.174 0.576 0.682 1.000 0.708 CA 1.539 49 residues pruned to eliminate duplicates Z: 14 5.854 1.498 0.839 0.303 0.769 0.385 CB 0.955 Z: 8 7.909 1.833 0.450 0.636 0.857 0.857 CB 1.155 Z: 25 13.563 1.923 0.633 0.447 0.792 0.625 CB 1.175 25 residues pruned to eliminate duplicates Z: 6 4.384 1.786 0.045 0.353 0.800 0.600 CA 1.539 6 residues pruned to eliminate duplicates Z: 11 4.744 1.757 0.071 0.472 0.800 0.500 CB 1.025 11 residues pruned to eliminate duplicates Z: 13 10.049 1.907 0.188 0.455 1.000 0.833 CB 1.341 13 residues pruned to eliminate duplicates Z: 8 17.389 2.053 0.945 0.771 1.000 0.857 CA 1.294 8 residues pruned to eliminate duplicates Z: 12 4.393 1.716 0.380 0.327 0.727 0.545 CB 0.930 Z: 22 11.425 1.858 0.463 0.407 0.810 0.333 CA 1.249 28 residues pruned to eliminate duplicates Z: 10 8.265 1.891 0.638 0.823 0.778 0.778 CB 0.865 10 residues pruned to eliminate duplicates Z: 10 8.983 1.862 0.613 0.539 0.778 0.778 CB 1.234 14 residues pruned to eliminate duplicates Z: 7 10.033 1.688 0.519 0.719 1.000 0.833 CB 1.310 6 residues pruned to eliminate duplicates Z: 18 10.861 1.961 0.141 0.427 0.882 0.706 CB 1.439 18 residues pruned to eliminate duplicates Z: 7 2.709 1.372 0.579 0.168 1.000 0.667 CB 0.764 Z: 9 11.639 2.042 0.321 0.699 1.000 1.000 CB 1.273 9 residues pruned to eliminate duplicates Z: 7 8.456 1.973 0.174 0.602 0.833 0.833 CB 1.624 7 residues pruned to eliminate duplicates Z: 12 13.306 1.872 0.201 0.885 0.909 0.455 CB 1.417 12 residues pruned to eliminate duplicates Z: 8 4.330 1.594 0.016 0.518 0.857 0.286 CB 1.157 Z: 24 13.285 1.885 0.619 0.461 0.826 0.522 CB 1.144 24 residues pruned to eliminate duplicates Z: 10 4.807 1.663 0.669 0.251 0.667 0.444 CB 1.153 10 residues pruned to eliminate duplicates Z: 23 16.268 2.076 0.375 0.443 0.864 0.636 CB 1.492 23 residues pruned to eliminate duplicates Z: 8 8.347 1.661 0.806 0.478 1.000 0.714 N 1.076 6 residues pruned to eliminate duplicates Z: 7 5.689 1.645 1.202 0.465 0.833 0.500 CB 0.797 Z: 43 38.537 2.217 0.584 0.706 0.952 0.667 CA 1.475 43 residues pruned to eliminate duplicates Z: 7 5.599 1.789 0.194 0.338 1.000 0.500 CA 1.276 7 residues pruned to eliminate duplicates Z: 16 20.758 1.973 0.766 0.651 0.933 0.533 CB 1.432 Z: 10 12.590 1.947 0.798 0.565 0.889 0.667 CB 1.267 10 residues pruned to eliminate duplicates Z: 10 15.106 1.958 0.494 0.636 1.000 0.778 CA 1.516 10 residues pruned to eliminate duplicates Z: 9 11.044 1.902 0.154 0.883 1.000 1.000 CA 1.286 9 residues pruned to eliminate duplicates Z: 23 26.743 2.223 0.930 0.407 0.955 0.545 CA 1.534 23 residues pruned to eliminate duplicates Z: 9 5.107 1.731 0.230 0.303 0.750 0.500 CA 1.408 9 residues pruned to eliminate duplicates Z: 8 3.166 1.487 0.161 0.336 0.857 0.429 CB 0.967 Z: 25 17.199 1.985 0.656 0.450 0.917 0.542 CB 1.227 25 residues pruned to eliminate duplicates Z: 9 4.332 1.361 0.366 0.478 1.000 0.500 C 0.842 7 residues pruned to eliminate duplicates Z: 11 9.974 1.731 0.546 0.814 0.900 0.600 CB 0.997 27 residues pruned to eliminate duplicates Z: 35 24.740 2.027 0.529 0.494 0.912 0.647 CA 1.510 35 residues pruned to eliminate duplicates Z: 6 2.157 1.544 0.852 0.340 0.400 0.400 N 1.005 6 residues pruned to eliminate duplicates Z: 6 3.034 1.570 0.043 0.358 0.800 0.600 N 1.208 6 residues pruned to eliminate duplicates 6 1.803 1.679 0.439 0.146 0.600 0.200 CB 0.861 ? Z: 12 8.686 1.971 0.230 0.580 0.818 0.727 CA 1.223 12 residues pruned to eliminate duplicates Z: 12 10.171 1.915 0.487 0.445 0.909 0.636 CA 1.254 12 residues pruned to eliminate duplicates Z: 8 17.378 1.788 0.894 0.870 1.000 0.714 CB 1.415 7 residues pruned to eliminate duplicates Z: 10 4.466 1.630 0.069 0.458 0.667 0.667 N 1.339 10 residues pruned to eliminate duplicates Z: 22 35.063 2.114 0.595 0.936 1.000 0.810 CA 1.581 22 residues pruned to eliminate duplicates Z: 7 8.293 1.593 0.690 0.713 1.000 1.000 CB 1.037 5 residues pruned to eliminate duplicates Z: 15 9.953 1.940 0.610 0.400 0.786 0.571 CA 1.204 15 residues pruned to eliminate duplicates Z: 9 6.853 1.591 0.358 0.648 0.875 0.625 CB 1.116 9 residues pruned to eliminate duplicates Z: 46 26.453 2.010 0.531 0.507 0.889 0.467 CB 1.431 46 residues pruned to eliminate duplicates Z: 9 5.527 1.506 0.551 0.425 0.875 0.500 CA 1.034 6 residues pruned to eliminate duplicates Z: 14 6.203 1.635 0.348 0.349 0.769 0.308 CB 1.196 14 residues pruned to eliminate duplicates Z: 6 4.147 1.467 0.390 0.574 1.000 0.800 N 0.847 Z: 6 2.716 1.731 0.240 0.495 0.600 0.600 CB 0.948 6 residues pruned to eliminate duplicates Z: 9 4.460 1.515 0.599 0.330 0.875 0.625 CB 0.896 Z: 13 5.490 1.605 0.353 0.409 0.917 0.333 CB 0.876 13 residues pruned to eliminate duplicates Z: 9 6.093 1.399 0.287 0.672 1.000 0.875 O 1.021 Z: 7 6.386 1.408 0.351 0.893 1.000 1.000 CA 0.984 7 residues pruned to eliminate duplicates Z: 16 11.886 1.844 0.630 0.424 0.933 0.600 CA 1.184 16 residues pruned to eliminate duplicates Z: 6 2.290 1.562 0.386 0.489 0.600 0.600 CB 0.797 Z: 17 16.763 1.962 0.177 0.896 0.938 0.812 CA 1.386 17 residues pruned to eliminate duplicates Z: 11 5.814 1.660 0.261 0.460 0.800 0.700 CB 1.144 11 residues pruned to eliminate duplicates Z: 15 9.213 1.878 0.531 0.360 0.714 0.500 CA 1.394 16 residues pruned to eliminate duplicates Z: 9 3.237 1.700 0.137 0.274 0.750 0.250 CB 1.020 Z: 11 8.325 1.747 0.422 0.631 0.800 0.800 CA 1.171 11 residues pruned to eliminate duplicates Z: 9 6.367 1.702 0.473 0.309 0.875 0.500 CB 1.268 9 residues pruned to eliminate duplicates Z: 22 20.883 1.949 0.526 0.755 0.905 0.762 CB 1.350 22 residues pruned to eliminate duplicates 6 1.688 1.420 0.812 0.292 0.800 0.600 N 0.463 ? Z: 64 43.149 2.133 0.633 0.571 0.968 0.571 CB 1.505 64 residues pruned to eliminate duplicates Z: 27 21.825 1.854 0.696 0.645 0.923 0.769 CA 1.288 27 residues pruned to eliminate duplicates Z: 9 3.706 1.524 0.573 0.468 0.625 0.500 CA 0.903 Z: 6 6.127 1.904 0.396 0.615 0.800 0.400 CA 1.156 6 residues pruned to eliminate duplicates Z: 10 3.599 1.728 -0.265 0.483 0.889 0.333 CB 1.081 10 residues pruned to eliminate duplicates Z: 31 37.481 2.141 0.830 0.694 0.967 0.500 CA 1.513 31 residues pruned to eliminate duplicates Z: 8 7.282 1.598 0.524 0.618 0.857 0.429 CB 1.180 7 residues pruned to eliminate duplicates Z: 9 4.308 1.532 0.240 0.463 0.875 0.375 N 0.951 9 residues pruned to eliminate duplicates Z: 9 14.198 2.058 0.503 0.899 1.000 0.750 CB 1.159 9 residues pruned to eliminate duplicates Z: 16 9.926 1.623 0.808 0.365 0.867 0.533 CB 1.164 11 residues pruned to eliminate duplicates Z: 6 2.865 1.398 0.191 0.291 0.800 0.400 C 1.215 Z: 19 19.805 2.085 0.627 0.874 0.778 0.389 CB 1.288 19 residues pruned to eliminate duplicates Z: 11 8.508 1.737 0.406 0.485 1.000 0.700 CB 1.118 11 residues pruned to eliminate duplicates Z: 54 42.429 2.164 0.644 0.643 0.962 0.660 CA 1.490 54 residues pruned to eliminate duplicates Z: 13 7.104 1.900 0.229 0.467 0.667 0.583 CA 1.362 13 residues pruned to eliminate duplicates Z: 7 7.435 1.707 0.313 0.647 1.000 0.667 CB 1.180 7 residues pruned to eliminate duplicates Z: 9 14.093 1.895 0.655 0.877 1.000 0.875 CA 1.154 9 residues pruned to eliminate duplicates Z: 7 5.665 1.311 0.554 0.860 1.000 0.833 CA 0.835 7 residues pruned to eliminate duplicates Z: 20 23.732 2.112 0.362 0.885 1.000 0.737 CB 1.367 20 residues pruned to eliminate duplicates Z: 10 9.737 1.826 0.507 0.677 0.889 0.667 CA 1.127 10 residues pruned to eliminate duplicates Z: 7 9.145 1.662 0.571 0.833 0.833 0.667 CA 1.287 7 residues pruned to eliminate duplicates Z: 7 6.010 1.387 1.161 0.523 0.833 0.500 CB 0.960 Z: 24 27.715 2.041 0.595 0.699 0.957 0.913 CB 1.548 24 residues pruned to eliminate duplicates Z: 13 18.619 2.135 0.548 0.558 1.000 0.833 CA 1.537 13 residues pruned to eliminate duplicates Z: 13 7.872 1.752 0.467 0.418 0.833 0.417 CB 1.156 11 residues pruned to eliminate duplicates Z: 9 2.161 1.548 0.454 0.255 0.750 0.625 CB 0.599 Z: 10 6.999 1.779 0.624 0.464 0.778 0.667 CB 1.076 10 residues pruned to eliminate duplicates Z: 6 2.827 1.505 0.450 0.573 0.800 0.600 CB 0.675 Z: 17 44.687 2.275 1.070 0.936 1.000 0.562 CB 1.652 17 residues pruned to eliminate duplicates Z: 12 5.053 1.784 0.268 0.391 0.727 0.364 CB 1.040 12 residues pruned to eliminate duplicates Z: 17 13.479 1.844 0.441 0.362 1.000 0.625 CB 1.470 17 residues pruned to eliminate duplicates Z: 8 6.142 1.476 0.698 0.526 0.857 0.714 CB 1.054 Z: 9 5.561 1.552 0.344 0.545 0.750 0.625 CB 1.203 Z: 11 7.993 1.700 0.393 0.586 0.700 0.700 N 1.404 11 residues pruned to eliminate duplicates Z: 13 6.460 1.729 0.403 0.319 0.750 0.417 CA 1.251 13 residues pruned to eliminate duplicates Z: 27 14.456 1.826 0.365 0.463 0.885 0.615 CB 1.335 27 residues pruned to eliminate duplicates Z: 37 38.973 2.183 0.586 0.753 1.000 0.833 CA 1.498 37 residues pruned to eliminate duplicates Z: 14 8.541 1.814 0.041 0.487 0.923 0.538 CA 1.376 14 residues pruned to eliminate duplicates Z: 9 11.862 1.821 0.673 0.494 1.000 0.750 CB 1.384 9 residues pruned to eliminate duplicates Z: 12 10.026 1.913 0.253 0.412 0.909 0.455 CB 1.522 12 residues pruned to eliminate duplicates Z: 7 9.741 1.942 1.019 0.544 0.833 0.833 CA 1.165 7 residues pruned to eliminate duplicates Z: 25 10.850 1.898 0.378 0.327 0.750 0.417 CB 1.366 25 residues pruned to eliminate duplicates Z: 9 3.611 1.364 0.649 0.325 0.625 0.625 CB 1.101 Z: 11 4.762 1.655 0.536 0.317 0.700 0.300 N 1.035 11 residues pruned to eliminate duplicates Z: 9 4.223 1.640 0.257 0.338 0.625 0.625 CB 1.383 9 residues pruned to eliminate duplicates Z: 10 7.801 1.723 0.625 0.606 0.778 0.778 CA 1.080 10 residues pruned to eliminate duplicates Z: 20 15.576 1.976 0.275 0.484 0.895 0.632 CB 1.610 20 residues pruned to eliminate duplicates Z: 11 5.088 1.663 0.295 0.446 0.800 0.700 CB 0.987 11 residues pruned to eliminate duplicates Z: 8 4.117 1.595 0.463 0.286 0.714 0.286 C 1.188 Z: 31 18.371 2.126 0.436 0.351 0.867 0.633 CB 1.489 31 residues pruned to eliminate duplicates Z: 9 2.577 1.708 -0.011 0.419 0.750 0.250 CB 0.783 Z: 10 11.224 1.864 0.470 0.664 0.889 0.667 CA 1.320 10 residues pruned to eliminate duplicates Z: 7 3.069 1.371 0.491 0.492 0.833 0.667 CB 0.741 Z: 9 10.945 1.973 0.277 0.685 0.875 0.750 CB 1.480 9 residues pruned to eliminate duplicates Z: 6 4.510 1.641 0.252 0.472 1.000 1.000 CB 1.009 Z: 7 7.888 1.816 0.251 0.895 1.000 1.000 CB 1.016 Z: 8 2.243 1.577 -0.108 0.306 0.857 0.571 CB 0.873 Z: 15 9.555 1.921 0.630 0.419 0.857 0.571 CB 1.036 15 residues pruned to eliminate duplicates Z: 19 33.944 2.220 0.619 0.912 1.000 0.778 CB 1.576 19 residues pruned to eliminate duplicates Z: 10 4.285 1.695 0.375 0.189 0.778 0.333 CA 1.144 Z: 7 4.212 1.482 0.686 0.319 0.833 0.500 CA 1.008 4 residues pruned to eliminate duplicates Z: 50 45.163 2.145 0.754 0.672 0.980 0.571 CA 1.493 50 residues pruned to eliminate duplicates Z: 28 18.561 1.959 0.493 0.486 0.926 0.741 CB 1.338 28 residues pruned to eliminate duplicates Z: 13 18.324 1.824 0.499 0.861 1.000 0.500 CA 1.421 13 residues pruned to eliminate duplicates Z: 31 19.153 1.864 0.579 0.609 0.867 0.600 CB 1.236 31 residues pruned to eliminate duplicates Z: 9 5.399 1.679 0.087 0.396 0.875 0.500 N 1.333 9 residues pruned to eliminate duplicates Z: 6 4.999 1.526 0.248 0.484 1.000 0.400 N 1.192 Z: 8 4.776 1.608 0.219 0.476 0.857 0.571 CB 1.101 8 residues pruned to eliminate duplicates Z: 6 3.259 1.530 0.096 0.601 0.800 0.800 CB 0.986 Z: 15 8.978 1.889 0.206 0.350 0.857 0.786 CA 1.446 15 residues pruned to eliminate duplicates Z: 6 5.937 1.729 0.376 0.474 0.800 0.600 CA 1.433 Z: 16 7.245 1.783 0.163 0.426 0.800 0.533 CB 1.218 16 residues pruned to eliminate duplicates Z: 8 2.361 1.605 -0.229 0.278 0.857 0.429 N 1.081 Z: 18 14.942 2.024 0.261 0.571 0.941 0.647 CA 1.408 18 residues pruned to eliminate duplicates Z: 7 5.335 1.593 -0.021 0.625 1.000 0.833 CB 1.241 Z: 29 30.194 2.149 0.540 0.651 0.929 0.607 CA 1.614 29 residues pruned to eliminate duplicates Z: 6 4.113 1.531 0.319 0.586 0.800 0.800 CB 1.048 Z: 6 3.283 1.596 0.361 0.368 0.800 0.600 O 0.974 Z: 21 29.621 2.162 0.532 0.880 0.950 0.800 CB 1.525 21 residues pruned to eliminate duplicates Z: 11 15.465 1.937 0.647 0.871 1.000 0.600 CB 1.118 11 residues pruned to eliminate duplicates Z: 16 9.374 1.976 0.555 0.335 0.800 0.400 CB 1.179 16 residues pruned to eliminate duplicates Z: 15 10.372 1.897 0.003 0.471 1.000 0.500 CA 1.501 15 residues pruned to eliminate duplicates Z: 17 18.916 2.106 0.727 0.448 0.938 0.562 CA 1.464 17 residues pruned to eliminate duplicates Z: 9 4.361 1.513 0.516 0.490 0.750 0.500 CB 0.905 7 residues pruned to eliminate duplicates Z: 23 7.592 1.657 0.406 0.330 0.818 0.500 CB 1.023 13 residues pruned to eliminate duplicates Z: 12 8.040 1.964 0.113 0.476 0.909 0.636 CB 1.250 15 residues pruned to eliminate duplicates Z: 7 3.677 1.453 0.640 0.387 0.667 0.333 N 1.064 Z: 9 3.752 1.717 0.413 0.303 0.750 0.500 CB 0.907 9 residues pruned to eliminate duplicates Z: 27 20.606 1.990 0.474 0.599 0.962 0.385 CA 1.303 27 residues pruned to eliminate duplicates Z: 7 2.800 1.385 1.106 0.295 0.500 0.500 CB 0.986 Z: 15 11.135 1.723 0.294 0.717 1.000 0.714 CB 1.097 15 residues pruned to eliminate duplicates Z: 7 6.279 1.451 0.564 0.791 1.000 0.667 CA 0.875 7 residues pruned to eliminate duplicates Z: 6 7.104 1.615 0.584 0.704 1.000 0.600 CB 1.031 Z: 20 30.595 2.106 0.673 0.934 1.000 0.842 CB 1.389 20 residues pruned to eliminate duplicates Z: 15 8.746 1.923 0.605 0.240 0.714 0.571 CB 1.434 15 residues pruned to eliminate duplicates Z: 11 5.779 1.534 0.503 0.440 0.800 0.400 CB 1.054 8 residues pruned to eliminate duplicates Z: 29 17.944 2.007 0.434 0.445 0.893 0.429 CB 1.397 29 residues pruned to eliminate duplicates 6 0.510 1.378 0.766 0.430 1.000 0.600 CB 0.101 ? Z: 7 3.271 1.475 0.288 0.523 0.833 0.667 N 0.825 Z: 17 23.925 1.953 0.928 0.904 0.938 0.312 CA 1.207 17 residues pruned to eliminate duplicates Z: 11 7.542 1.709 0.522 0.491 1.000 0.900 CB 0.925 11 residues pruned to eliminate duplicates Z: 27 19.799 2.063 0.370 0.386 0.962 0.577 CA 1.612 27 residues pruned to eliminate duplicates Z: 11 9.087 1.803 0.479 0.501 0.900 0.600 CB 1.196 11 residues pruned to eliminate duplicates Z: 15 8.989 1.761 0.444 0.472 0.786 0.571 CB 1.237 15 residues pruned to eliminate duplicates Z: 12 7.894 1.818 0.128 0.516 0.909 0.636 CB 1.257 12 residues pruned to eliminate duplicates Z: 29 23.743 2.033 0.460 0.665 0.964 0.607 CA 1.346 29 residues pruned to eliminate duplicates Z: 9 6.507 1.942 0.192 0.307 0.875 0.750 CA 1.407 9 residues pruned to eliminate duplicates Z: 23 11.624 1.863 0.478 0.456 0.864 0.636 CB 1.090 23 residues pruned to eliminate duplicates Z: 26 19.899 1.895 0.679 0.638 0.800 0.560 CB 1.373 26 residues pruned to eliminate duplicates Z: 23 32.819 2.064 0.717 0.920 0.955 0.773 CA 1.457 23 residues pruned to eliminate duplicates Z: 7 6.546 1.723 0.448 0.684 1.000 0.833 N 0.905 Z: 9 8.330 1.847 0.289 0.530 1.000 0.625 CB 1.202 9 residues pruned to eliminate duplicates Z: 6 7.220 1.886 0.492 0.376 0.800 0.200 C 1.638 6 residues pruned to eliminate duplicates Z: 18 10.891 1.874 0.375 0.437 0.882 0.588 CB 1.240 18 residues pruned to eliminate duplicates Z: 16 16.902 2.041 0.298 0.563 0.933 0.733 CB 1.660 19 residues pruned to eliminate duplicates Z: 22 23.949 1.948 0.588 0.772 0.952 0.667 CA 1.394 22 residues pruned to eliminate duplicates Z: 6 3.886 1.734 0.383 0.462 0.600 0.400 N 1.256 Z: 16 19.791 2.016 0.557 0.663 0.933 0.733 CA 1.500 16 residues pruned to eliminate duplicates Z: 10 9.019 1.552 0.532 0.518 1.000 0.778 CB 1.242 10 residues pruned to eliminate duplicates Z: 11 5.014 1.718 0.049 0.487 0.800 0.500 CB 1.114 11 residues pruned to eliminate duplicates Z: 12 5.186 1.413 0.683 0.389 0.636 0.545 N 1.163 Z: 23 5.766 1.705 0.095 0.242 0.773 0.364 CB 1.148 15 residues pruned to eliminate duplicates Z: 8 8.933 1.765 0.600 0.685 0.857 0.714 CB 1.177 7 residues pruned to eliminate duplicates Z: 17 20.908 1.960 0.736 0.877 0.938 0.688 CA 1.191 17 residues pruned to eliminate duplicates Z: 20 14.701 2.007 0.243 0.626 0.947 0.684 CA 1.267 20 residues pruned to eliminate duplicates Z: 11 10.202 1.941 0.308 0.566 0.900 0.800 CA 1.324 11 residues pruned to eliminate duplicates Z: 8 2.375 1.333 0.277 0.322 0.714 0.429 CB 0.898 Z: 32 31.861 2.035 0.486 0.715 0.935 0.677 CB 1.664 32 residues pruned to eliminate duplicates 6 1.576 1.299 0.839 0.478 0.800 0.800 CB 0.377 ? Z: 7 2.416 1.553 0.108 0.288 0.667 0.500 CB 1.091 Z: 6 2.202 1.198 0.238 0.640 0.600 0.400 CB 0.971 Z: 6 4.420 1.330 0.891 0.625 0.800 0.400 CA 0.873 6 1.788 1.771 0.494 0.477 0.800 0.600 CB 0.387 ? Z: 7 7.988 1.865 0.632 0.508 0.833 0.667 CB 1.276 7 residues pruned to eliminate duplicates Z: 14 8.130 1.783 0.269 0.405 0.769 0.462 CB 1.431 14 residues pruned to eliminate duplicates Z: 21 37.390 2.302 0.889 0.927 0.950 0.550 CB 1.418 21 residues pruned to eliminate duplicates Z: 11 6.783 1.620 0.626 0.399 0.800 0.500 CA 1.132 11 residues pruned to eliminate duplicates Z: 13 14.650 1.813 0.700 0.514 1.000 0.667 CA 1.353 11 residues pruned to eliminate duplicates Z: 6 2.780 1.188 0.530 0.384 1.000 0.400 CA 0.774 Z: 23 15.798 1.958 0.592 0.585 0.818 0.727 CB 1.217 23 residues pruned to eliminate duplicates Z: 10 5.438 1.466 0.204 0.479 1.000 0.222 CB 1.048 Z: 10 12.844 2.060 0.562 0.558 1.000 0.778 CA 1.258 10 residues pruned to eliminate duplicates Z: 6 7.751 1.876 0.179 0.680 0.800 0.600 CA 1.660 6 residues pruned to eliminate duplicates Z: 7 2.499 1.563 0.117 0.340 0.833 0.167 CB 0.835 Z: 12 3.533 1.519 0.113 0.538 0.909 0.727 CB 0.668 12 residues pruned to eliminate duplicates 12 1.780 1.381 0.322 0.396 0.727 0.636 CB 0.451 ? Z: 7 2.807 1.607 0.225 0.169 0.667 0.167 CA 1.305 Z: 6 4.318 1.536 0.290 0.630 0.800 0.400 CA 1.078 Z: 7 2.138 1.277 0.641 0.236 0.667 0.333 CB 0.849 Z: 12 7.481 1.973 0.243 0.431 0.909 0.545 CB 1.087 12 residues pruned to eliminate duplicates Z: 7 6.754 1.609 0.635 0.634 0.833 0.833 CA 1.109 7 residues pruned to eliminate duplicates Z: 23 32.064 2.071 0.707 0.853 1.000 0.682 CB 1.428 23 residues pruned to eliminate duplicates Z: 43 29.433 2.040 0.529 0.597 0.929 0.595 CA 1.429 43 residues pruned to eliminate duplicates Z: 6 3.318 1.435 0.380 0.346 0.800 0.400 CB 1.107 Z: 8 6.587 1.638 0.588 0.486 0.714 0.571 CB 1.359 8 residues pruned to eliminate duplicates Z: 8 4.029 1.677 -0.176 0.690 1.000 0.857 CB 0.926 7 residues pruned to eliminate duplicates Z: 6 5.020 1.723 -0.074 0.818 1.000 0.800 CB 1.067 6 residues pruned to eliminate duplicates Z: 6 2.830 1.679 0.461 0.371 0.600 0.400 CB 0.988 Z: 9 3.850 1.455 0.433 0.386 1.000 0.375 CB 0.736 8 residues pruned to eliminate duplicates Z: 6 5.975 1.601 0.709 0.585 1.000 0.800 CB 0.900 Z: 12 13.758 2.011 0.352 0.845 0.909 0.273 CB 1.247 12 residues pruned to eliminate duplicates Z: 9 2.101 1.249 0.464 0.230 0.750 0.375 CB 0.742 Z: 11 9.069 1.649 0.427 0.507 0.900 0.600 CA 1.345 11 residues pruned to eliminate duplicates Z: 6 2.595 1.534 0.263 0.633 1.000 0.400 CA 0.529 6 residues pruned to eliminate duplicates Z: 7 5.860 1.815 0.206 0.670 0.833 0.833 CB 1.122 7 residues pruned to eliminate duplicates Z: 8 2.945 1.486 0.238 0.305 0.857 0.429 CA 0.878 Z: 6 9.549 1.862 1.022 0.665 0.800 0.800 CA 1.217 6 residues pruned to eliminate duplicates Z: 9 3.646 1.514 0.226 0.293 0.750 0.375 CB 1.167 Z: 16 8.996 1.864 0.222 0.394 0.867 0.533 CB 1.317 16 residues pruned to eliminate duplicates Z: 6 4.330 1.383 1.295 0.452 0.800 0.800 CB 0.801 Z: 13 18.059 1.865 0.768 0.787 0.917 0.750 CA 1.340 13 residues pruned to eliminate duplicates 6 1.634 1.514 0.413 0.389 0.800 0.400 CB 0.480 ? Z: 7 13.868 1.880 0.846 0.572 1.000 0.833 CB 1.521 7 residues pruned to eliminate duplicates Z: 30 14.368 2.018 0.437 0.393 0.759 0.414 CB 1.359 8 residues pruned to eliminate duplicates Z: 61 39.961 2.138 0.616 0.583 0.933 0.650 CA 1.478 61 residues pruned to eliminate duplicates Z: 9 3.151 1.346 0.523 0.327 0.750 0.375 CB 0.877 Z: 6 3.602 1.306 0.502 0.432 1.000 0.400 CA 0.882 Z: 6 2.382 1.613 0.591 0.276 0.600 0.400 CB 0.891 6 residues pruned to eliminate duplicates Z: 10 16.241 1.756 0.768 0.859 1.000 0.889 CA 1.283 10 residues pruned to eliminate duplicates Z: 24 7.680 1.685 -0.039 0.401 0.870 0.522 CB 1.262 24 residues pruned to eliminate duplicates Z: 11 8.141 1.697 0.244 0.588 0.900 0.500 CB 1.245 11 residues pruned to eliminate duplicates Z: 7 3.513 1.633 -0.142 0.650 1.000 0.833 CB 0.890 7 residues pruned to eliminate duplicates Z: 7 2.812 1.340 0.317 0.456 0.833 0.667 O 0.817 Z: 7 2.391 1.576 0.309 0.242 0.667 0.667 CB 0.957 Z: 6 3.889 1.108 0.526 0.793 1.000 0.600 O 0.796 Z: 6 2.115 1.691 -0.314 0.659 1.000 0.800 C 0.703 Z: 37 21.096 1.989 0.518 0.456 0.861 0.667 CA 1.416 37 residues pruned to eliminate duplicates Z: 6 2.934 1.629 0.306 0.275 0.800 0.800 CB 0.995 7 1.999 1.251 0.493 0.318 0.667 0.333 C 0.801 ? Z: 37 34.336 2.128 0.702 0.627 0.972 0.667 CA 1.442 37 residues pruned to eliminate duplicates 6 1.256 1.228 0.311 0.359 0.800 0.800 CB 0.507 ? Z: 25 21.044 2.047 0.687 0.485 0.917 0.667 CB 1.378 25 residues pruned to eliminate duplicates Z: 24 13.240 1.908 0.464 0.428 0.870 0.565 CB 1.226 24 residues pruned to eliminate duplicates Z: 10 10.154 1.700 0.658 0.600 0.889 0.889 CB 1.229 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 16 7.727 1.791 0.448 0.475 0.733 0.533 CA 1.077 16 residues pruned to eliminate duplicates Z: 10 8.288 1.806 0.503 0.561 0.778 0.667 CA 1.233 10 residues pruned to eliminate duplicates Z: 12 10.462 1.809 0.563 0.567 0.818 0.636 CA 1.279 12 residues pruned to eliminate duplicates Z: 10 11.527 1.920 0.533 0.655 1.000 0.667 CA 1.130 10 residues pruned to eliminate duplicates Z: 10 7.998 1.837 0.452 0.513 0.889 0.556 CA 1.109 10 residues pruned to eliminate duplicates Z: 33 18.679 1.901 0.546 0.485 0.906 0.594 CB 1.260 33 residues pruned to eliminate duplicates Z: 16 10.479 1.819 0.540 0.450 0.867 0.467 CB 1.173 16 residues pruned to eliminate duplicates Z: 11 9.628 1.840 0.583 0.524 0.900 0.600 CA 1.134 11 residues pruned to eliminate duplicates Z: 35 16.167 1.895 0.389 0.459 0.882 0.676 CB 1.245 35 residues pruned to eliminate duplicates Z: 11 14.025 2.050 0.576 0.631 0.900 0.600 CB 1.349 11 residues pruned to eliminate duplicates Z: 7 4.237 1.525 0.700 0.467 0.833 0.667 CA 0.828 7 residues pruned to eliminate duplicates Z: 11 11.341 2.007 0.365 0.612 0.800 0.500 CB 1.471 11 residues pruned to eliminate duplicates Z: 9 18.225 2.207 0.520 0.738 1.000 0.625 CA 1.551 10 residues pruned to eliminate duplicates Z: 6 2.727 1.364 0.213 0.449 0.800 0.600 CA 0.971 Z: 6 3.406 1.253 0.518 0.369 1.000 0.200 C 0.922 Z: 6 2.433 1.499 0.292 0.422 0.800 0.600 CA 0.762 6 residues pruned to eliminate duplicates Z: 9 12.692 1.893 0.627 0.552 0.875 0.500 N 1.583 9 residues pruned to eliminate duplicates Z: 9 7.763 1.823 0.447 0.528 0.750 0.500 N 1.349 9 residues pruned to eliminate duplicates Z: 7 3.644 1.722 0.702 0.373 0.667 0.333 CB 0.872 7 residues pruned to eliminate duplicates Z: 7 5.324 1.635 0.764 0.258 0.833 0.333 CB 1.193 7 residues pruned to eliminate duplicates Z: 10 7.219 1.765 0.745 0.283 0.778 0.333 CB 1.284 10 residues pruned to eliminate duplicates Z: 7 5.633 1.982 0.474 0.385 0.667 0.333 CB 1.335 Z: 6 4.677 1.425 0.685 0.430 1.000 0.400 CA 0.936 6 residues pruned to eliminate duplicates Z: 6 4.318 1.648 0.218 0.419 0.800 0.600 CA 1.308 6 residues pruned to eliminate duplicates Z: 8 3.945 1.731 0.357 0.285 0.714 0.429 CB 1.132 8 residues pruned to eliminate duplicates Z: 9 9.529 2.182 0.478 0.363 0.875 0.375 CB 1.384 9 residues pruned to eliminate duplicates Z: 11 8.368 1.931 0.373 0.307 1.000 0.300 CB 1.238 11 residues pruned to eliminate duplicates Z: 14 7.234 1.916 0.399 0.290 0.846 0.231 CB 1.119 14 residues pruned to eliminate duplicates Z: 10 9.642 2.048 0.498 0.330 0.889 0.444 CB 1.420 10 residues pruned to eliminate duplicates Z: 9 11.376 2.048 0.679 0.407 0.875 0.500 CB 1.474 12 residues pruned to eliminate duplicates Z: 9 2.725 1.250 0.594 0.465 0.625 0.500 N 0.802 5 residues pruned to eliminate duplicates Z: 11 10.399 2.066 0.413 0.580 0.900 0.700 CB 1.160 11 residues pruned to eliminate duplicates Z: 16 8.375 1.848 0.474 0.355 0.800 0.533 CA 1.161 16 residues pruned to eliminate duplicates Z: 12 11.367 2.079 0.717 0.411 0.818 0.455 CA 1.288 12 residues pruned to eliminate duplicates Z: 25 19.105 2.037 0.655 0.455 0.958 0.625 CB 1.264 25 residues pruned to eliminate duplicates Z: 13 13.432 1.966 0.876 0.413 0.833 0.583 CB 1.381 13 residues pruned to eliminate duplicates Z: 15 12.629 1.958 0.875 0.384 0.786 0.286 CB 1.325 15 residues pruned to eliminate duplicates Z: 8 8.354 1.745 0.692 0.717 0.857 0.571 CA 1.025 8 residues pruned to eliminate duplicates Z: 6 7.174 1.974 0.605 0.621 0.800 0.400 CA 1.129 6 residues pruned to eliminate duplicates Z: 7 7.105 1.844 0.523 0.485 0.833 0.333 CB 1.257 7 residues pruned to eliminate duplicates Z: 7 8.002 1.832 0.420 0.552 1.000 0.667 CB 1.194 7 residues pruned to eliminate duplicates Z: 8 6.859 1.764 0.303 0.576 0.857 0.429 CB 1.222 8 residues pruned to eliminate duplicates Z: 12 15.410 1.966 0.544 0.473 1.000 0.636 CB 1.573 13 residues pruned to eliminate duplicates Z: 7 5.838 1.728 0.364 0.543 0.833 0.500 CA 1.163 7 residues pruned to eliminate duplicates Z: 18 8.652 1.709 0.424 0.380 0.765 0.529 CB 1.282 18 residues pruned to eliminate duplicates Z: 12 14.517 1.979 0.435 0.547 1.000 0.727 CB 1.473 12 residues pruned to eliminate duplicates Z: 6 2.992 1.599 0.252 0.252 1.000 0.400 CB 0.889 6 residues pruned to eliminate duplicates Z: 19 11.258 1.825 0.403 0.307 0.944 0.611 CB 1.360 13 residues pruned to eliminate duplicates 6 1.567 1.455 -0.327 0.464 0.800 0.600 C 0.928 ? Z: 6 3.805 1.508 0.646 0.500 0.800 0.400 CB 0.857 Z: 6 7.815 1.827 0.595 0.424 1.000 0.400 CA 1.298 Z: 11 15.317 2.066 0.625 0.515 1.000 0.600 CB 1.421 28 residues pruned to eliminate duplicates Z: 6 9.269 1.865 0.436 0.611 1.000 0.600 CA 1.393 10 residues pruned to eliminate duplicates Z: 6 6.154 1.803 0.246 0.581 1.000 0.600 CA 1.133 6 residues pruned to eliminate duplicates Z: 19 11.364 1.836 0.478 0.401 0.889 0.444 CB 1.232 19 residues pruned to eliminate duplicates Z: 27 21.061 2.006 0.426 0.446 0.923 0.731 CB 1.653 27 residues pruned to eliminate duplicates Z: 36 24.746 2.027 0.499 0.472 0.914 0.714 CA 1.549 36 residues pruned to eliminate duplicates Z: 37 23.077 1.984 0.473 0.464 0.972 0.667 CA 1.405 37 residues pruned to eliminate duplicates Z: 38 26.599 1.974 0.627 0.482 0.946 0.649 CA 1.465 38 residues pruned to eliminate duplicates Z: 6 7.370 1.950 0.697 0.393 1.000 0.600 CA 1.116 6 residues pruned to eliminate duplicates Z: 37 24.749 2.001 0.591 0.488 0.917 0.722 CA 1.431 38 residues pruned to eliminate duplicates Z: 6 9.062 1.664 0.691 0.597 1.000 0.800 CA 1.313 6 residues pruned to eliminate duplicates Z: 33 21.140 1.947 0.681 0.346 0.844 0.500 CB 1.600 33 residues pruned to eliminate duplicates Z: 33 15.204 1.879 0.361 0.385 0.844 0.531 CA 1.407 33 residues pruned to eliminate duplicates Z: 37 20.778 2.007 0.360 0.463 0.917 0.722 CA 1.436 37 residues pruned to eliminate duplicates Z: 12 11.217 2.058 0.446 0.489 0.818 0.636 CA 1.405 12 residues pruned to eliminate duplicates Z: 35 26.993 2.030 0.562 0.484 0.941 0.647 CA 1.576 35 residues pruned to eliminate duplicates Z: 36 23.260 2.021 0.484 0.465 0.914 0.714 CA 1.485 36 residues pruned to eliminate duplicates Z: 38 17.291 1.857 0.398 0.351 0.892 0.622 CA 1.443 29 residues pruned to eliminate duplicates Z: 6 3.759 1.590 0.154 0.283 1.000 0.400 CA 1.170 6 residues pruned to eliminate duplicates Z: 35 23.846 2.053 0.532 0.462 0.882 0.647 CB 1.531 35 residues pruned to eliminate duplicates Z: 12 13.944 1.994 0.434 0.736 0.909 0.818 CB 1.309 12 residues pruned to eliminate duplicates Z: 12 13.070 2.013 0.338 0.739 0.909 0.727 CB 1.299 12 residues pruned to eliminate duplicates Z: 13 11.749 2.013 0.306 0.680 0.833 0.750 CB 1.312 13 residues pruned to eliminate duplicates Z: 16 11.854 1.879 0.503 0.600 0.800 0.533 CB 1.232 16 residues pruned to eliminate duplicates Z: 12 15.951 2.064 0.534 0.717 0.909 0.455 CB 1.372 12 residues pruned to eliminate duplicates Z: 14 12.524 1.946 0.575 0.643 0.923 0.462 CB 1.073 14 residues pruned to eliminate duplicates Z: 14 11.873 1.919 0.656 0.572 0.769 0.385 CB 1.256 14 residues pruned to eliminate duplicates Z: 12 13.394 1.964 0.553 0.748 0.909 0.455 CB 1.167 12 residues pruned to eliminate duplicates Z: 14 14.861 2.012 0.398 0.707 0.923 0.769 CB 1.315 14 residues pruned to eliminate duplicates Z: 25 9.619 1.686 0.475 0.444 0.750 0.375 CB 1.114 25 residues pruned to eliminate duplicates Z: 13 10.500 1.959 0.945 0.433 0.833 0.500 CB 1.023 22 residues pruned to eliminate duplicates Z: 7 3.418 1.421 0.686 0.429 1.000 0.667 CA 0.627 6 residues pruned to eliminate duplicates Z: 6 2.774 1.530 0.835 0.273 0.800 0.600 CA 0.715 6 residues pruned to eliminate duplicates Z: 12 14.266 2.055 0.884 0.478 0.909 0.636 CB 1.250 14 residues pruned to eliminate duplicates Z: 9 8.818 1.966 0.548 0.456 1.000 0.375 CA 1.072 9 residues pruned to eliminate duplicates Z: 35 18.075 2.072 0.430 0.339 0.853 0.412 CB 1.461 35 residues pruned to eliminate duplicates Z: 26 17.583 2.088 0.517 0.370 0.880 0.560 CB 1.449 26 residues pruned to eliminate duplicates Z: 34 14.757 1.971 0.371 0.320 0.818 0.424 CB 1.416 34 residues pruned to eliminate duplicates Z: 30 15.989 2.085 0.378 0.304 0.897 0.517 CB 1.434 31 residues pruned to eliminate duplicates Z: 35 18.184 2.066 0.457 0.319 0.882 0.441 CA 1.433 35 residues pruned to eliminate duplicates Z: 17 11.835 2.084 0.436 0.371 0.812 0.562 CB 1.397 8 residues pruned to eliminate duplicates Z: 29 17.139 2.136 0.485 0.356 0.821 0.607 CA 1.453 30 residues pruned to eliminate duplicates Z: 27 15.036 2.134 0.386 0.328 0.808 0.615 CA 1.490 27 residues pruned to eliminate duplicates Z: 21 12.097 2.091 0.330 0.339 0.800 0.450 CB 1.450 21 residues pruned to eliminate duplicates Z: 22 11.008 1.965 0.399 0.289 0.810 0.381 CB 1.368 22 residues pruned to eliminate duplicates Z: 35 15.618 1.987 0.410 0.359 0.824 0.353 CA 1.352 35 residues pruned to eliminate duplicates Z: 35 16.947 2.046 0.403 0.338 0.853 0.471 CB 1.416 35 residues pruned to eliminate duplicates Z: 33 17.052 2.110 0.377 0.364 0.812 0.500 CB 1.478 33 residues pruned to eliminate duplicates Z: 30 17.074 2.028 0.491 0.332 0.931 0.517 CB 1.354 30 residues pruned to eliminate duplicates Z: 34 17.381 2.057 0.401 0.333 0.879 0.515 CA 1.434 34 residues pruned to eliminate duplicates Z: 31 15.820 2.005 0.373 0.281 0.933 0.567 CA 1.438 31 residues pruned to eliminate duplicates Z: 34 18.733 2.076 0.378 0.342 0.879 0.545 CB 1.542 34 residues pruned to eliminate duplicates Z: 35 18.185 2.074 0.471 0.334 0.853 0.559 CB 1.437 35 residues pruned to eliminate duplicates Z: 29 17.744 2.092 0.497 0.369 0.893 0.500 CA 1.381 29 residues pruned to eliminate duplicates Z: 35 15.602 2.075 0.379 0.310 0.824 0.588 CB 1.402 35 residues pruned to eliminate duplicates Z: 29 15.326 2.029 0.471 0.299 0.821 0.536 CA 1.479 29 residues pruned to eliminate duplicates Z: 34 19.173 2.125 0.505 0.313 0.848 0.424 CB 1.513 34 residues pruned to eliminate duplicates Z: 35 18.094 2.066 0.479 0.313 0.853 0.412 CB 1.465 35 residues pruned to eliminate duplicates Z: 33 19.162 2.131 0.462 0.340 0.844 0.562 CB 1.534 33 residues pruned to eliminate duplicates Z: 26 10.194 1.916 0.198 0.333 0.760 0.480 CB 1.403 25 residues pruned to eliminate duplicates Z: 6 3.764 1.713 0.319 0.310 0.800 0.600 CA 1.150 6 residues pruned to eliminate duplicates Z: 8 5.421 1.846 0.298 0.430 0.714 0.571 CB 1.288 7 residues pruned to eliminate duplicates Z: 6 2.606 1.504 0.307 0.451 0.600 0.600 CA 1.039 6 residues pruned to eliminate duplicates Z: 9 17.179 1.838 0.857 0.656 1.000 0.625 C 1.540 9 residues pruned to eliminate duplicates Z: 6 2.473 1.281 0.157 0.450 0.800 0.600 O 0.982 Z: 6 3.069 1.354 0.892 0.378 0.600 0.200 CA 1.017 Z: 6 5.291 1.564 0.727 0.407 0.800 0.800 O 1.206 6 residues pruned to eliminate duplicates Z: 10 15.834 2.032 0.560 0.581 1.000 0.778 CB 1.540 10 residues pruned to eliminate duplicates Z: 10 11.191 2.031 0.471 0.681 1.000 0.889 CB 1.057 10 residues pruned to eliminate duplicates Z: 9 17.289 2.124 0.441 0.622 1.000 0.750 N 1.781 9 residues pruned to eliminate duplicates Z: 10 12.634 2.029 0.496 0.634 1.000 1.000 CB 1.223 9 residues pruned to eliminate duplicates Z: 7 5.044 1.444 0.934 0.503 1.000 0.667 CA 0.735 Z: 6 4.024 1.507 0.655 0.291 1.000 0.600 CB 0.912 6 1.915 1.629 0.338 0.149 0.800 0.400 CB 0.757 ? Z: 10 6.564 1.437 0.529 0.479 1.000 0.444 CB 1.017 Z: 6 2.030 1.667 0.064 0.100 0.800 0.200 CA 1.066 6 residues pruned to eliminate duplicates Z: 27 16.452 1.970 0.620 0.405 0.885 0.462 CA 1.263 37 residues pruned to eliminate duplicates Z: 20 9.890 1.945 0.363 0.380 0.789 0.474 CB 1.233 27 residues pruned to eliminate duplicates Z: 18 13.232 1.944 0.662 0.398 0.882 0.471 CB 1.253 18 residues pruned to eliminate duplicates Z: 24 17.519 2.062 0.484 0.449 0.913 0.652 CA 1.379 24 residues pruned to eliminate duplicates Z: 21 12.308 1.896 0.601 0.500 0.900 0.550 CA 1.007 21 residues pruned to eliminate duplicates Z: 20 19.670 2.098 0.782 0.458 0.895 0.684 CA 1.408 20 residues pruned to eliminate duplicates Z: 29 17.513 1.878 0.463 0.521 0.929 0.607 CB 1.270 29 residues pruned to eliminate duplicates Z: 13 10.263 1.993 0.447 0.418 1.000 0.750 CA 1.120 13 residues pruned to eliminate duplicates Z: 11 11.510 2.096 0.304 0.452 1.000 0.800 CB 1.399 11 residues pruned to eliminate duplicates Z: 37 31.446 2.092 0.707 0.661 0.972 0.722 CA 1.301 37 residues pruned to eliminate duplicates Z: 30 21.798 1.978 0.560 0.712 1.000 0.759 CA 1.082 30 residues pruned to eliminate duplicates Z: 13 11.091 2.078 0.446 0.410 0.917 0.667 CA 1.277 13 residues pruned to eliminate duplicates Z: 6 10.919 2.107 0.475 0.684 1.000 1.000 CA 1.327 6 residues pruned to eliminate duplicates Z: 35 28.859 1.973 0.774 0.602 0.971 0.735 CA 1.322 35 residues pruned to eliminate duplicates Z: 28 26.139 2.038 0.586 0.744 0.963 0.704 CA 1.299 28 residues pruned to eliminate duplicates Z: 31 27.551 1.959 0.751 0.696 0.900 0.567 CA 1.362 31 residues pruned to eliminate duplicates Z: 19 22.379 2.024 0.881 0.921 0.833 0.667 CA 1.170 19 residues pruned to eliminate duplicates Z: 19 28.220 2.083 0.738 0.938 1.000 0.500 CA 1.278 19 residues pruned to eliminate duplicates Z: 39 27.348 2.008 0.839 0.565 0.868 0.500 CA 1.298 39 residues pruned to eliminate duplicates Z: 18 25.613 2.031 0.837 0.760 0.941 0.471 CA 1.404 18 residues pruned to eliminate duplicates Z: 31 26.509 1.939 0.792 0.793 0.933 0.567 CA 1.154 31 residues pruned to eliminate duplicates Z: 19 30.375 2.115 0.871 0.934 1.000 0.889 CA 1.261 19 residues pruned to eliminate duplicates Z: 20 30.418 2.115 0.882 0.879 1.000 0.684 CA 1.272 20 residues pruned to eliminate duplicates Z: 17 17.871 1.937 0.881 0.775 0.938 0.688 CA 1.026 17 residues pruned to eliminate duplicates Z: 18 22.880 2.010 1.009 0.731 0.882 0.529 CA 1.264 18 residues pruned to eliminate duplicates Z: 20 28.743 2.058 0.935 0.733 0.947 0.316 CB 1.418 20 residues pruned to eliminate duplicates Z: 19 29.476 2.053 1.138 0.882 0.944 0.556 CA 1.213 19 residues pruned to eliminate duplicates Z: 17 27.668 1.921 1.086 0.914 1.000 0.812 CA 1.221 17 residues pruned to eliminate duplicates Z: 29 30.984 1.984 0.879 0.758 0.964 0.786 CA 1.295 29 residues pruned to eliminate duplicates Z: 10 7.902 1.861 0.158 0.567 0.889 0.667 CB 1.289 10 residues pruned to eliminate duplicates Z: 13 5.957 1.642 0.148 0.424 0.833 0.667 CB 1.184 13 residues pruned to eliminate duplicates Z: 12 5.914 1.685 0.090 0.415 0.909 0.364 CB 1.168 12 residues pruned to eliminate duplicates Z: 8 6.820 1.784 0.137 0.624 1.000 0.571 CB 1.130 8 residues pruned to eliminate duplicates Z: 12 6.260 1.754 0.108 0.426 0.818 0.455 CB 1.282 12 residues pruned to eliminate duplicates Z: 9 6.581 1.883 0.292 0.525 0.875 0.500 CB 1.067 9 residues pruned to eliminate duplicates Z: 14 6.557 1.736 0.301 0.422 0.923 0.462 CB 0.946 14 residues pruned to eliminate duplicates Z: 13 6.662 1.646 0.214 0.378 1.000 0.583 CB 1.096 13 residues pruned to eliminate duplicates Z: 10 14.855 2.013 0.571 0.488 0.889 0.333 CA 1.783 13 residues pruned to eliminate duplicates Z: 6 11.791 2.026 0.544 0.655 1.000 0.800 CA 1.459 6 residues pruned to eliminate duplicates Z: 11 10.368 1.852 0.493 0.444 0.800 0.600 N 1.570 11 residues pruned to eliminate duplicates Z: 12 8.679 1.830 0.538 0.329 0.818 0.545 CB 1.371 12 residues pruned to eliminate duplicates Z: 10 9.487 1.954 0.330 0.431 0.889 0.778 CA 1.470 10 residues pruned to eliminate duplicates Z: 8 8.503 2.038 0.423 0.363 0.857 0.857 CA 1.497 8 residues pruned to eliminate duplicates Z: 8 8.694 1.898 0.625 0.335 0.857 0.571 CA 1.489 8 residues pruned to eliminate duplicates Z: 10 4.364 1.789 0.290 0.159 0.778 0.333 CB 1.230 Z: 7 5.337 1.743 0.140 0.416 0.833 0.167 CB 1.437 12 residues pruned to eliminate duplicates Z: 8 7.486 1.903 0.160 0.477 0.857 0.571 CA 1.531 8 residues pruned to eliminate duplicates Z: 15 12.610 1.979 0.287 0.448 0.929 0.643 CB 1.504 15 residues pruned to eliminate duplicates Z: 23 13.297 1.943 0.457 0.366 0.864 0.455 CB 1.338 23 residues pruned to eliminate duplicates Z: 18 13.598 1.862 0.405 0.481 0.941 0.529 CB 1.365 23 residues pruned to eliminate duplicates Z: 8 10.084 1.809 0.570 0.482 1.000 0.714 CB 1.367 8 residues pruned to eliminate duplicates Z: 8 13.549 1.897 0.674 0.586 1.000 0.857 CA 1.485 9 residues pruned to eliminate duplicates Z: 7 3.394 1.436 0.422 0.459 0.667 0.500 CB 1.062 7 residues pruned to eliminate duplicates Z: 26 17.007 1.922 0.496 0.485 0.840 0.520 CB 1.430 26 residues pruned to eliminate duplicates Z: 8 5.355 1.817 0.650 0.585 0.714 0.714 CB 0.871 8 residues pruned to eliminate duplicates Z: 27 16.472 1.931 0.525 0.454 0.846 0.692 CB 1.360 27 residues pruned to eliminate duplicates Z: 20 10.499 1.867 0.440 0.448 0.842 0.579 CB 1.123 20 residues pruned to eliminate duplicates Z: 20 10.616 1.773 0.506 0.524 0.895 0.632 CB 0.996 26 residues pruned to eliminate duplicates Z: 10 10.202 1.840 0.700 0.618 0.889 0.778 CA 1.094 10 residues pruned to eliminate duplicates Z: 12 10.396 1.856 0.654 0.526 0.909 0.727 CB 1.095 12 residues pruned to eliminate duplicates Z: 25 17.565 1.913 0.620 0.507 0.833 0.583 CB 1.378 25 residues pruned to eliminate duplicates Z: 36 16.502 1.913 0.349 0.451 0.857 0.514 CB 1.326 36 residues pruned to eliminate duplicates Z: 11 7.403 1.830 0.593 0.497 0.800 0.700 CA 1.008 Z: 6 2.389 1.093 0.429 0.604 1.000 0.600 CA 0.620 6 residues pruned to eliminate duplicates Z: 17 14.132 1.903 0.756 0.636 0.875 0.625 CA 1.064 17 residues pruned to eliminate duplicates Z: 6 10.166 2.004 1.150 0.570 0.800 0.600 CA 1.232 6 residues pruned to eliminate duplicates Z: 32 20.280 1.919 0.656 0.551 0.903 0.677 CB 1.207 43 residues pruned to eliminate duplicates Z: 11 20.722 2.150 0.372 0.903 1.000 0.800 CA 1.583 11 residues pruned to eliminate duplicates Z: 11 19.713 2.125 0.593 0.830 1.000 0.700 CA 1.384 11 residues pruned to eliminate duplicates Z: 16 13.095 1.919 0.885 0.546 0.733 0.400 CB 1.219 16 residues pruned to eliminate duplicates Z: 12 22.042 2.107 0.885 0.778 0.909 0.273 CB 1.440 12 residues pruned to eliminate duplicates Z: 14 23.548 2.047 0.864 0.689 1.000 0.692 CA 1.440 14 residues pruned to eliminate duplicates Z: 18 28.374 2.032 0.857 0.743 1.000 0.647 CB 1.467 18 residues pruned to eliminate duplicates Z: 39 29.318 2.074 0.609 0.566 0.921 0.632 CA 1.451 39 residues pruned to eliminate duplicates Z: 13 10.987 1.982 0.022 0.690 0.917 0.667 CA 1.436 13 residues pruned to eliminate duplicates Z: 43 28.883 2.094 0.512 0.551 0.881 0.595 CA 1.520 43 residues pruned to eliminate duplicates Z: 37 33.423 2.089 0.576 0.546 1.000 0.639 CA 1.617 39 residues pruned to eliminate duplicates Z: 14 20.372 1.953 0.622 0.724 1.000 0.538 CA 1.457 14 residues pruned to eliminate duplicates Z: 27 24.215 2.145 0.529 0.413 0.962 0.462 CA 1.648 27 residues pruned to eliminate duplicates Z: 29 22.502 2.078 0.687 0.397 0.857 0.571 CB 1.577 29 residues pruned to eliminate duplicates Z: 26 23.138 2.121 0.560 0.414 0.920 0.600 CA 1.663 26 residues pruned to eliminate duplicates Z: 38 25.521 2.069 0.470 0.516 0.919 0.568 CA 1.478 38 residues pruned to eliminate duplicates Z: 35 24.217 1.992 0.799 0.392 0.824 0.529 CA 1.578 35 residues pruned to eliminate duplicates Z: 32 24.729 2.112 0.568 0.436 0.871 0.516 CA 1.645 34 residues pruned to eliminate duplicates Z: 6 7.875 2.156 0.275 0.369 1.000 0.000 CA 1.474 6 residues pruned to eliminate duplicates Z: 43 29.152 2.111 0.385 0.555 0.952 0.619 CA 1.532 43 residues pruned to eliminate duplicates Z: 43 29.325 2.089 0.519 0.546 0.857 0.595 CA 1.590 46 residues pruned to eliminate duplicates Z: 6 4.797 1.578 0.433 0.325 1.000 0.600 CA 1.150 Z: 33 24.645 2.105 0.515 0.419 0.875 0.500 CB 1.699 39 residues pruned to eliminate duplicates Z: 6 3.327 1.640 0.430 0.299 0.800 0.600 CB 0.992 6 residues pruned to eliminate duplicates Z: 39 18.102 1.956 0.537 0.359 0.816 0.474 CA 1.395 39 residues pruned to eliminate duplicates Z: 43 29.627 2.083 0.537 0.519 0.929 0.619 CA 1.508 42 residues pruned to eliminate duplicates Z: 11 12.534 1.738 0.766 0.587 0.900 0.700 CA 1.320 15 residues pruned to eliminate duplicates Z: 10 17.307 1.769 1.052 0.837 1.000 0.778 CA 1.189 10 residues pruned to eliminate duplicates Z: 10 14.061 1.804 1.002 0.805 1.000 0.667 CA 0.994 10 residues pruned to eliminate duplicates Z: 36 21.406 2.013 0.445 0.432 0.857 0.429 CA 1.558 33 residues pruned to eliminate duplicates Z: 9 18.947 1.944 1.127 0.821 1.000 0.625 CA 1.227 12 residues pruned to eliminate duplicates Z: 10 16.775 1.808 1.098 0.871 1.000 0.778 CA 1.075 10 residues pruned to eliminate duplicates Z: 7 3.078 1.904 0.135 0.163 0.667 0.333 CA 1.316 2 residues pruned to eliminate duplicates Z: 12 12.422 1.811 0.694 0.710 0.909 0.636 CA 1.109 15 residues pruned to eliminate duplicates Z: 13 12.543 1.830 0.635 0.629 0.917 0.583 CA 1.170 13 residues pruned to eliminate duplicates Z: 34 16.298 1.972 0.550 0.282 0.788 0.455 CB 1.506 34 residues pruned to eliminate duplicates Z: 65 38.725 2.056 0.457 0.641 0.953 0.750 CB 1.485 65 residues pruned to eliminate duplicates Z: 11 10.735 1.876 0.389 0.898 1.000 1.000 CB 0.932 8 residues pruned to eliminate duplicates Z: 10 8.185 1.768 0.078 0.877 0.889 0.778 CB 1.170 10 residues pruned to eliminate duplicates Z: 14 8.028 1.731 0.319 0.645 0.923 0.692 CB 0.922 11 residues pruned to eliminate duplicates Z: 9 12.309 1.994 0.412 0.899 1.000 1.000 CB 1.105 9 residues pruned to eliminate duplicates Z: 11 12.801 1.915 0.554 0.692 0.900 0.600 CB 1.268 11 residues pruned to eliminate duplicates Z: 15 19.094 2.032 0.974 0.647 0.857 0.571 CB 1.294 14 residues pruned to eliminate duplicates Z: 15 19.483 2.039 0.763 0.658 0.857 0.643 CB 1.459 15 residues pruned to eliminate duplicates Z: 63 39.495 2.052 0.578 0.598 0.935 0.661 CB 1.509 78 residues pruned to eliminate duplicates Z: 28 28.535 2.149 0.723 0.530 0.963 0.593 CA 1.496 28 residues pruned to eliminate duplicates Z: 58 40.637 2.171 0.638 0.560 0.930 0.702 CA 1.535 58 residues pruned to eliminate duplicates Z: 60 43.179 2.117 0.598 0.621 0.949 0.729 CA 1.562 60 residues pruned to eliminate duplicates Z: 62 45.516 2.141 0.699 0.600 0.934 0.705 CA 1.558 62 residues pruned to eliminate duplicates Z: 60 38.271 2.109 0.540 0.606 0.915 0.661 CA 1.515 60 residues pruned to eliminate duplicates Z: 30 26.740 2.111 0.747 0.464 0.931 0.586 CA 1.501 30 residues pruned to eliminate duplicates Z: 62 44.042 2.133 0.641 0.601 0.934 0.689 CA 1.565 62 residues pruned to eliminate duplicates Z: 35 20.633 2.097 0.603 0.427 0.882 0.588 CA 1.288 35 residues pruned to eliminate duplicates Z: 57 40.974 2.185 0.706 0.563 0.929 0.696 CA 1.488 57 residues pruned to eliminate duplicates Z: 30 25.470 2.142 0.622 0.495 0.897 0.483 CA 1.526 30 residues pruned to eliminate duplicates Z: 31 22.014 2.070 0.663 0.443 0.900 0.567 CA 1.376 31 residues pruned to eliminate duplicates Z: 28 23.561 2.156 0.632 0.517 0.926 0.667 CA 1.368 28 residues pruned to eliminate duplicates Z: 37 22.826 2.037 0.684 0.457 0.833 0.528 CA 1.391 37 residues pruned to eliminate duplicates Z: 62 39.685 2.101 0.560 0.615 0.934 0.738 CA 1.488 62 residues pruned to eliminate duplicates Z: 33 25.308 2.040 0.651 0.498 0.906 0.531 CA 1.468 33 residues pruned to eliminate duplicates Z: 40 25.689 2.141 0.508 0.482 0.846 0.615 CA 1.534 40 residues pruned to eliminate duplicates Z: 60 44.278 2.169 0.710 0.595 0.915 0.729 CA 1.551 60 residues pruned to eliminate duplicates Z: 46 35.191 2.171 0.496 0.625 0.933 0.756 CA 1.538 46 residues pruned to eliminate duplicates Z: 53 36.753 2.152 0.608 0.549 0.942 0.692 CA 1.491 53 residues pruned to eliminate duplicates Z: 60 42.601 2.153 0.605 0.586 0.966 0.661 CA 1.530 60 residues pruned to eliminate duplicates Z: 55 25.842 2.050 0.629 0.415 0.833 0.556 CA 1.381 55 residues pruned to eliminate duplicates Z: 52 30.291 2.109 0.524 0.524 0.882 0.608 CA 1.460 52 residues pruned to eliminate duplicates Z: 44 30.840 2.148 0.508 0.572 0.930 0.698 CA 1.457 44 residues pruned to eliminate duplicates Z: 32 29.338 2.166 0.359 0.727 0.968 0.839 CA 1.507 32 residues pruned to eliminate duplicates Z: 54 36.863 2.174 0.565 0.539 0.925 0.660 CA 1.550 54 residues pruned to eliminate duplicates Z: 37 28.567 2.067 0.513 0.650 0.917 0.778 CB 1.444 37 residues pruned to eliminate duplicates Z: 35 31.014 2.142 0.532 0.655 0.941 0.794 CA 1.492 35 residues pruned to eliminate duplicates Z: 32 37.782 2.181 0.684 0.735 0.968 0.871 CA 1.547 55 residues pruned to eliminate duplicates Z: 24 24.032 2.067 0.219 0.827 1.000 0.870 CB 1.499 24 residues pruned to eliminate duplicates Z: 33 34.123 2.113 0.663 0.677 0.938 0.781 CA 1.556 33 residues pruned to eliminate duplicates Z: 29 27.863 2.164 0.471 0.690 0.929 0.786 CA 1.497 29 residues pruned to eliminate duplicates Z: 41 28.906 2.053 0.628 0.593 0.900 0.725 CB 1.390 41 residues pruned to eliminate duplicates Z: 51 38.195 2.161 0.634 0.571 0.940 0.660 CA 1.519 51 residues pruned to eliminate duplicates Z: 35 28.122 2.140 0.457 0.635 0.882 0.735 CB 1.545 35 residues pruned to eliminate duplicates Z: 28 25.865 2.181 0.379 0.698 0.963 0.815 CB 1.434 28 residues pruned to eliminate duplicates Z: 62 41.271 2.129 0.624 0.568 0.934 0.672 CA 1.532 34 residues pruned to eliminate duplicates Z: 20 36.162 2.241 0.683 0.922 0.947 0.842 CB 1.632 20 residues pruned to eliminate duplicates Z: 39 33.842 2.060 0.890 0.612 0.895 0.658 CB 1.418 40 residues pruned to eliminate duplicates Z: 20 43.649 2.231 0.887 0.919 1.000 0.842 CB 1.676 20 residues pruned to eliminate duplicates Z: 64 43.868 2.115 0.807 0.562 0.905 0.603 CB 1.505 64 residues pruned to eliminate duplicates Z: 29 29.623 2.030 0.717 0.725 0.964 0.536 CB 1.360 28 residues pruned to eliminate duplicates Z: 23 43.681 2.111 0.952 0.922 1.000 0.727 CB 1.590 23 residues pruned to eliminate duplicates Z: 21 44.187 2.158 0.842 0.919 1.000 0.800 CB 1.751 21 residues pruned to eliminate duplicates Z: 37 34.186 2.141 0.825 0.643 0.889 0.694 CB 1.436 37 residues pruned to eliminate duplicates Z: 62 45.577 2.139 0.764 0.570 0.934 0.590 CB 1.546 62 residues pruned to eliminate duplicates Z: 22 40.218 2.187 0.733 0.928 1.000 0.905 CB 1.622 22 residues pruned to eliminate duplicates Z: 51 38.020 2.174 0.686 0.535 0.880 0.620 CA 1.611 51 residues pruned to eliminate duplicates Z: 60 39.715 2.165 0.605 0.564 0.898 0.610 CB 1.557 60 residues pruned to eliminate duplicates Z: 62 48.965 2.164 0.781 0.607 0.934 0.590 CB 1.573 62 residues pruned to eliminate duplicates Z: 36 37.305 2.112 0.723 0.691 0.943 0.543 CB 1.543 36 residues pruned to eliminate duplicates Z: 10 9.883 2.075 0.541 0.299 0.889 0.333 CA 1.451 10 residues pruned to eliminate duplicates Z: 13 12.658 2.027 0.811 0.495 0.833 0.500 CB 1.200 13 residues pruned to eliminate duplicates Z: 16 12.491 1.907 0.765 0.335 0.800 0.400 CB 1.435 16 residues pruned to eliminate duplicates Z: 14 10.230 2.057 0.545 0.349 0.769 0.462 CB 1.368 12 residues pruned to eliminate duplicates Z: 6 2.841 1.632 0.669 0.134 0.800 0.200 CB 0.921 6 residues pruned to eliminate duplicates Z: 24 15.169 1.999 0.708 0.291 0.870 0.435 CB 1.347 14 residues pruned to eliminate duplicates 6 1.369 1.500 -0.292 0.364 0.800 0.400 CA 0.834 ? Z: 6 5.473 1.514 0.467 0.533 1.000 0.600 CA 1.066 6 residues pruned to eliminate duplicates Z: 68 38.934 2.151 0.501 0.563 0.910 0.716 CA 1.523 68 residues pruned to eliminate duplicates Z: 24 27.333 2.132 0.544 0.624 1.000 0.696 CA 1.541 24 residues pruned to eliminate duplicates Z: 44 39.112 2.133 0.532 0.713 1.000 0.721 CA 1.505 44 residues pruned to eliminate duplicates Z: 44 41.114 2.200 0.558 0.683 1.000 0.698 CA 1.545 44 residues pruned to eliminate duplicates Z: 51 42.917 2.218 0.488 0.677 0.980 0.620 CB 1.594 51 residues pruned to eliminate duplicates Z: 45 42.976 2.201 0.687 0.678 0.955 0.568 CB 1.552 45 residues pruned to eliminate duplicates Z: 50 47.647 2.215 0.638 0.670 1.000 0.633 CB 1.604 50 residues pruned to eliminate duplicates Z: 53 39.882 2.184 0.464 0.625 0.981 0.635 CA 1.568 10 residues pruned to eliminate duplicates Z: 21 34.114 2.311 0.495 0.898 0.950 0.600 CB 1.663 21 residues pruned to eliminate duplicates Z: 43 41.116 2.230 0.556 0.734 0.929 0.714 CA 1.596 44 residues pruned to eliminate duplicates Z: 24 29.067 2.086 0.565 0.820 1.000 0.739 CB 1.406 24 residues pruned to eliminate duplicates Z: 22 25.467 2.210 0.573 0.638 0.857 0.524 CA 1.639 22 residues pruned to eliminate duplicates Z: 35 35.442 2.119 0.682 0.670 0.941 0.647 CB 1.549 35 residues pruned to eliminate duplicates Z: 45 37.652 2.217 0.371 0.688 1.000 0.591 CB 1.572 45 residues pruned to eliminate duplicates Z: 50 44.074 2.209 0.601 0.663 0.980 0.653 CB 1.562 49 residues pruned to eliminate duplicates Z: 21 38.942 2.350 0.690 0.905 0.950 0.600 CB 1.642 21 residues pruned to eliminate duplicates Z: 54 41.976 2.190 0.638 0.620 0.962 0.528 CB 1.491 54 residues pruned to eliminate duplicates Z: 53 41.648 2.182 0.645 0.629 0.923 0.654 CB 1.544 53 residues pruned to eliminate duplicates Z: 67 42.835 2.172 0.616 0.564 0.924 0.545 CB 1.528 67 residues pruned to eliminate duplicates Z: 48 40.072 2.149 0.743 0.673 0.915 0.617 CB 1.454 48 residues pruned to eliminate duplicates Z: 62 43.575 2.196 0.604 0.581 0.918 0.541 CB 1.597 51 residues pruned to eliminate duplicates Z: 18 40.443 2.340 0.841 0.890 1.000 0.529 CB 1.638 18 residues pruned to eliminate duplicates Z: 74 51.295 2.193 0.754 0.550 0.945 0.616 CB 1.573 74 residues pruned to eliminate duplicates Z: 44 38.688 2.159 0.607 0.672 0.930 0.628 CB 1.560 44 residues pruned to eliminate duplicates Z: 51 35.279 2.160 0.519 0.619 0.920 0.540 CA 1.478 51 residues pruned to eliminate duplicates Z: 65 40.312 2.154 0.544 0.555 0.922 0.484 CB 1.558 65 residues pruned to eliminate duplicates Z: 54 41.825 2.177 0.645 0.604 0.943 0.604 CB 1.539 54 residues pruned to eliminate duplicates Z: 48 44.430 2.200 0.627 0.665 1.000 0.553 CA 1.554 48 residues pruned to eliminate duplicates Z: 50 43.702 2.211 0.635 0.644 0.959 0.531 CB 1.573 50 residues pruned to eliminate duplicates Z: 66 44.584 2.179 0.654 0.572 0.969 0.585 CB 1.477 66 residues pruned to eliminate duplicates Z: 43 43.014 2.225 0.651 0.691 0.952 0.619 CA 1.593 43 residues pruned to eliminate duplicates Z: 48 40.371 2.175 0.614 0.632 0.936 0.447 CB 1.584 48 residues pruned to eliminate duplicates Z: 53 46.488 2.222 0.627 0.622 1.000 0.500 CB 1.589 53 residues pruned to eliminate duplicates Z: 43 39.796 2.233 0.540 0.711 0.952 0.714 CA 1.548 43 residues pruned to eliminate duplicates Z: 64 41.996 2.187 0.640 0.545 0.889 0.476 CA 1.589 56 residues pruned to eliminate duplicates Z: 12 12.983 2.119 0.222 0.885 0.909 0.364 CB 1.201 12 residues pruned to eliminate duplicates Z: 49 41.879 2.175 0.626 0.670 0.958 0.604 CA 1.524 49 residues pruned to eliminate duplicates Z: 49 40.052 2.099 0.810 0.555 0.938 0.375 CA 1.538 49 residues pruned to eliminate duplicates Z: 53 43.418 2.190 0.631 0.633 0.962 0.519 CB 1.547 53 residues pruned to eliminate duplicates Z: 65 42.227 2.185 0.627 0.583 0.906 0.500 CB 1.513 65 residues pruned to eliminate duplicates Z: 30 12.194 2.016 0.600 0.395 0.690 0.310 CB 1.138 20 residues pruned to eliminate duplicates Z: 6 4.337 1.677 0.345 0.298 0.800 0.400 O 1.347 6 residues pruned to eliminate duplicates Z: 25 22.848 2.142 0.684 0.358 0.958 0.583 CB 1.573 25 residues pruned to eliminate duplicates Z: 26 13.630 2.037 0.591 0.319 0.840 0.480 CB 1.222 26 residues pruned to eliminate duplicates Z: 18 11.836 2.027 0.520 0.210 0.882 0.353 CA 1.488 18 residues pruned to eliminate duplicates Z: 23 20.526 2.160 0.793 0.309 0.864 0.409 CB 1.618 23 residues pruned to eliminate duplicates Z: 21 24.277 2.294 0.798 0.348 0.950 0.550 CB 1.633 21 residues pruned to eliminate duplicates Z: 21 23.638 2.298 0.884 0.389 0.850 0.600 CB 1.615 21 residues pruned to eliminate duplicates Z: 21 23.456 2.237 0.937 0.370 0.900 0.500 CB 1.546 21 residues pruned to eliminate duplicates Z: 23 21.841 2.254 0.840 0.342 0.818 0.455 CB 1.630 23 residues pruned to eliminate duplicates Z: 22 18.694 2.176 0.682 0.334 0.857 0.429 CB 1.560 22 residues pruned to eliminate duplicates Z: 22 22.236 2.261 0.849 0.339 0.857 0.571 CB 1.615 22 residues pruned to eliminate duplicates Z: 22 21.051 2.197 0.743 0.320 0.905 0.476 CA 1.617 22 residues pruned to eliminate duplicates Z: 26 24.615 2.162 0.769 0.387 0.920 0.480 CB 1.578 26 residues pruned to eliminate duplicates Z: 10 12.420 2.139 0.436 0.442 0.889 0.333 CB 1.609 10 residues pruned to eliminate duplicates Z: 73 47.029 2.212 0.689 0.517 0.917 0.472 CB 1.591 73 residues pruned to eliminate duplicates Z: 22 21.180 2.255 0.761 0.296 0.905 0.476 CA 1.616 22 residues pruned to eliminate duplicates Z: 21 20.104 2.263 0.752 0.308 0.850 0.400 CB 1.652 21 residues pruned to eliminate duplicates Z: 16 10.193 2.124 0.372 0.316 0.733 0.400 CB 1.510 16 residues pruned to eliminate duplicates Z: 17 6.104 1.716 0.276 0.306 0.688 0.375 C 1.258 17 residues pruned to eliminate duplicates Z: 50 33.967 2.199 0.444 0.531 0.898 0.633 CA 1.650 52 residues pruned to eliminate duplicates Z: 8 5.385 1.585 0.533 0.295 0.857 0.429 CA 1.230 8 residues pruned to eliminate duplicates Z: 46 27.579 2.101 0.384 0.561 0.889 0.600 CA 1.500 46 residues pruned to eliminate duplicates Z: 19 21.502 2.161 0.285 0.647 0.889 0.778 CB 1.789 19 residues pruned to eliminate duplicates Z: 29 25.863 2.166 0.417 0.698 0.857 0.714 CB 1.550 29 residues pruned to eliminate duplicates Z: 30 26.526 2.117 0.344 0.670 0.897 0.724 CA 1.651 30 residues pruned to eliminate duplicates Z: 37 23.920 2.024 0.615 0.515 0.806 0.583 CB 1.491 37 residues pruned to eliminate duplicates Z: 33 29.967 2.043 0.536 0.631 0.906 0.656 CB 1.646 33 residues pruned to eliminate duplicates Z: 30 34.029 2.127 0.564 0.676 0.966 0.690 CB 1.672 30 residues pruned to eliminate duplicates Z: 29 35.340 2.146 0.570 0.721 0.964 0.786 CB 1.683 29 residues pruned to eliminate duplicates Z: 28 28.187 2.157 0.563 0.622 0.889 0.630 CA 1.614 28 residues pruned to eliminate duplicates Z: 27 35.638 2.181 0.597 0.706 0.962 0.615 CB 1.731 27 residues pruned to eliminate duplicates Z: 35 30.606 2.081 0.635 0.618 0.941 0.676 CB 1.466 35 residues pruned to eliminate duplicates Z: 28 25.111 2.111 0.534 0.609 0.852 0.630 CB 1.580 28 residues pruned to eliminate duplicates Z: 31 28.657 2.123 0.517 0.650 0.900 0.567 CB 1.569 31 residues pruned to eliminate duplicates Z: 36 32.498 2.108 0.560 0.597 0.886 0.571 CB 1.720 36 residues pruned to eliminate duplicates Z: 28 27.892 2.188 0.532 0.713 0.815 0.519 CB 1.620 28 residues pruned to eliminate duplicates Z: 28 36.327 2.140 0.852 0.687 0.963 0.556 CB 1.544 27 residues pruned to eliminate duplicates Z: 20 34.383 2.287 0.676 0.918 0.947 0.632 CB 1.532 20 residues pruned to eliminate duplicates Z: 31 34.079 2.116 0.759 0.690 0.933 0.500 CB 1.506 31 residues pruned to eliminate duplicates Z: 28 39.116 2.145 0.769 0.726 0.963 0.556 CB 1.681 28 residues pruned to eliminate duplicates Z: 25 27.556 2.064 0.788 0.685 0.875 0.500 CB 1.470 25 residues pruned to eliminate duplicates Z: 20 34.230 2.221 0.834 0.850 0.947 0.421 CB 1.508 20 residues pruned to eliminate duplicates Z: 24 33.578 2.158 0.953 0.713 0.913 0.522 CB 1.500 24 residues pruned to eliminate duplicates Z: 29 35.365 2.151 0.713 0.669 0.929 0.464 CB 1.670 29 residues pruned to eliminate duplicates Z: 20 31.495 2.254 0.924 0.815 0.842 0.368 CB 1.505 20 residues pruned to eliminate duplicates Z: 21 27.442 2.177 0.778 0.769 0.900 0.350 CB 1.388 21 residues pruned to eliminate duplicates Z: 29 33.765 2.161 0.686 0.702 0.893 0.286 CB 1.632 29 residues pruned to eliminate duplicates Z: 7 2.823 1.587 0.485 0.388 0.500 0.000 CB 1.101 Z: 8 7.945 1.789 0.452 0.473 0.857 0.571 CB 1.387 8 residues pruned to eliminate duplicates Z: 36 15.573 1.926 0.202 0.408 0.914 0.400 CA 1.369 40 residues pruned to eliminate duplicates Z: 6 7.406 1.996 0.364 0.395 1.000 0.600 CB 1.360 6 residues pruned to eliminate duplicates Z: 23 10.345 1.930 0.140 0.319 0.955 0.545 CB 1.282 20 residues pruned to eliminate duplicates 6 1.989 1.395 0.653 0.439 1.000 0.400 CA 0.411 ? Z: 6 7.513 2.056 -0.009 0.445 1.000 0.800 CA 1.744 6 residues pruned to eliminate duplicates Z: 17 12.199 1.930 0.236 0.501 0.938 0.625 CA 1.362 17 residues pruned to eliminate duplicates Z: 37 15.396 1.944 0.283 0.382 0.861 0.500 CB 1.355 37 residues pruned to eliminate duplicates Z: 18 10.802 1.863 0.280 0.412 0.882 0.588 CB 1.365 18 residues pruned to eliminate duplicates Z: 18 10.251 1.852 0.283 0.390 0.882 0.588 CB 1.332 18 residues pruned to eliminate duplicates 591 residues left after pruning, divided into chains as follows: A: 6 B: 6 C: 10 D: 7 E: 11 F: 7 G: 6 H: 9 I: 15 J: 13 K: 9 L: 12 M: 13 N: 8 O: 11 P: 19 Q: 7 R: 35 S: 9 T: 29 U: 9 V: 6 W: 6 X: 10 Y: 72 Z: 40 Z: 11 Z: 32 Z: 12 Z: 63 Z: 52 Z: 36 CC for partial structure against native data = 22.62 % ------------------------------------------------------------------------------ Global autotracing cycle 6 = 0.300, Contrast = 0.403, Connect. = 0.683 for dens.mod. cycle 1 = 0.300, Contrast = 0.464, Connect. = 0.706 for dens.mod. cycle 2 = 0.300, Contrast = 0.543, Connect. = 0.742 for dens.mod. cycle 3 = 0.300, Contrast = 0.550, Connect. = 0.746 for dens.mod. cycle 4 = 0.300, Contrast = 0.557, Connect. = 0.751 for dens.mod. cycle 5 = 0.300, Contrast = 0.562, Connect. = 0.754 for dens.mod. cycle 6 = 0.300, Contrast = 0.566, Connect. = 0.757 for dens.mod. cycle 7 = 0.300, Contrast = 0.568, Connect. = 0.759 for dens.mod. cycle 8 = 0.300, Contrast = 0.570, Connect. = 0.760 for dens.mod. cycle 9 = 0.300, Contrast = 0.570, Connect. = 0.762 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6624 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1213 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 35.180 2.222 0.736 0.924 1.000 0.789 CB 1.470 B: 9 14.896 1.944 0.527 0.619 1.000 0.750 CB 1.586 C: 7 12.230 2.151 0.359 0.838 0.833 0.833 CB 1.531 D: 16 14.510 2.043 0.474 0.485 0.867 0.400 CA 1.457 E: 22 20.453 2.234 0.832 0.339 0.810 0.429 CB 1.606 F: 21 33.002 2.200 0.721 0.922 1.000 0.900 CA 1.371 G: 19 28.860 2.145 0.606 0.895 0.944 0.611 CB 1.498 18 residues pruned to eliminate duplicates H: 30 17.335 2.046 0.519 0.383 0.828 0.517 CB 1.417 I: 20 41.797 2.319 0.739 0.931 1.000 0.842 CB 1.662 21 residues pruned to eliminate duplicates J: 13 12.761 2.087 0.747 0.448 0.833 0.667 CA 1.279 K: 22 35.686 2.246 0.644 0.891 1.000 0.810 CA 1.516 22 residues pruned to eliminate duplicates L: 11 21.737 2.197 0.360 0.890 1.000 0.800 CB 1.655 M: 22 28.049 2.100 0.393 0.895 0.952 0.714 CA 1.574 N: 18 20.105 2.144 0.264 0.870 0.882 0.824 CB 1.490 18 residues pruned to eliminate duplicates O: 8 16.735 2.423 0.313 0.892 1.000 0.714 CB 1.429 8 residues pruned to eliminate duplicates P: 13 35.803 2.415 0.714 0.918 1.000 0.833 CA 1.762 12 residues pruned to eliminate duplicates Q: 12 20.585 1.978 0.664 0.872 1.000 0.818 CB 1.375 11 residues pruned to eliminate duplicates R: 64 41.909 2.106 0.723 0.569 0.921 0.444 CB 1.479 21 residues pruned to eliminate duplicates S: 14 33.914 2.377 0.613 0.922 1.000 0.846 CA 1.726 14 residues pruned to eliminate duplicates T: 6 6.873 1.844 0.387 0.562 0.800 0.600 CA 1.414 U: 43 28.740 2.105 0.437 0.533 0.905 0.619 CA 1.568 12 residues pruned to eliminate duplicates V: 21 39.215 2.286 0.663 0.916 1.000 0.750 CA 1.628 21 residues pruned to eliminate duplicates W: 22 34.218 2.121 0.555 0.916 1.000 0.905 CB 1.600 22 residues pruned to eliminate duplicates X: 18 19.682 2.152 0.253 0.909 0.941 0.765 CB 1.335 18 residues pruned to eliminate duplicates Y: 12 14.862 2.007 0.505 0.826 0.909 0.636 CB 1.231 12 residues pruned to eliminate duplicates Z: 22 27.463 2.040 0.468 0.932 0.952 0.952 CA 1.466 22 residues pruned to eliminate duplicates Z: 6 11.349 2.141 0.442 0.642 0.800 0.800 C 1.798 Z: 22 26.370 2.097 0.311 0.918 1.000 0.905 CA 1.475 23 residues pruned to eliminate duplicates Z: 21 31.079 2.128 0.486 0.896 1.000 0.850 CA 1.574 21 residues pruned to eliminate duplicates Z: 6 5.392 1.901 0.215 0.362 1.000 0.800 CB 1.211 Z: 17 16.443 2.065 0.448 0.484 0.875 0.625 CA 1.596 17 residues pruned to eliminate duplicates Z: 22 25.584 2.097 0.305 0.890 1.000 0.857 CA 1.467 22 residues pruned to eliminate duplicates Z: 21 43.732 2.254 0.888 0.934 1.000 0.700 CB 1.603 21 residues pruned to eliminate duplicates Z: 21 36.855 2.302 0.728 0.899 0.950 0.650 CB 1.559 21 residues pruned to eliminate duplicates Z: 10 13.110 1.842 0.550 0.528 1.000 0.778 N 1.490 8 residues pruned to eliminate duplicates Z: 22 35.777 2.181 0.939 0.919 0.905 0.571 CB 1.438 22 residues pruned to eliminate duplicates Z: 27 26.271 2.157 0.715 0.492 0.885 0.654 CA 1.586 Z: 7 4.630 1.798 0.224 0.412 0.833 0.500 CB 1.129 6 residues pruned to eliminate duplicates Z: 29 24.240 2.055 0.681 0.478 0.893 0.500 CA 1.519 29 residues pruned to eliminate duplicates Z: 12 21.055 1.912 0.725 0.880 1.000 0.545 CB 1.394 12 residues pruned to eliminate duplicates Z: 14 10.753 1.859 0.649 0.350 0.923 0.462 CB 1.240 Z: 17 8.508 1.991 0.347 0.254 0.812 0.250 CB 1.294 17 residues pruned to eliminate duplicates Z: 19 24.500 2.213 0.525 0.881 0.833 0.722 CB 1.487 19 residues pruned to eliminate duplicates Z: 8 5.177 1.744 0.171 0.429 0.857 0.429 CB 1.204 Z: 6 6.057 2.019 -0.271 0.608 1.000 0.800 CB 1.661 Z: 32 24.088 2.108 0.463 0.456 0.871 0.613 CB 1.685 32 residues pruned to eliminate duplicates Z: 21 41.206 2.318 0.701 0.898 1.000 0.800 CA 1.671 21 residues pruned to eliminate duplicates Z: 7 3.842 1.668 0.398 0.464 0.833 0.500 CB 0.838 7 residues pruned to eliminate duplicates Z: 18 18.750 2.013 0.593 0.636 0.941 0.471 CB 1.326 17 residues pruned to eliminate duplicates Z: 21 41.111 2.298 0.987 0.899 0.900 0.600 CB 1.600 30 residues pruned to eliminate duplicates Z: 16 11.909 1.925 0.252 0.518 0.933 0.533 CB 1.342 Z: 20 23.394 2.020 0.550 0.928 1.000 0.789 CA 1.200 Z: 36 26.021 2.059 0.581 0.487 0.914 0.629 CA 1.498 16 residues pruned to eliminate duplicates Z: 7 7.599 1.742 0.451 0.423 1.000 0.333 CA 1.330 Z: 7 16.207 2.269 0.851 0.697 1.000 0.833 CA 1.315 7 residues pruned to eliminate duplicates Z: 41 35.519 2.087 0.568 0.664 0.975 0.775 CB 1.512 30 residues pruned to eliminate duplicates Z: 47 43.738 2.158 0.728 0.684 0.957 0.630 CA 1.526 38 residues pruned to eliminate duplicates Z: 16 13.920 1.912 0.316 0.530 0.933 0.600 CB 1.485 16 residues pruned to eliminate duplicates Z: 10 20.812 2.405 0.212 0.872 1.000 0.778 CB 1.735 10 residues pruned to eliminate duplicates Z: 6 7.662 1.582 0.261 0.856 1.000 1.000 CB 1.267 6 residues pruned to eliminate duplicates Z: 24 19.801 2.059 0.518 0.564 0.826 0.609 CA 1.504 25 residues pruned to eliminate duplicates Z: 11 16.322 2.172 0.268 0.873 0.900 0.800 CA 1.517 11 residues pruned to eliminate duplicates Z: 20 44.404 2.318 0.837 0.902 1.000 0.789 CB 1.706 20 residues pruned to eliminate duplicates Z: 12 8.858 1.706 0.787 0.325 0.818 0.727 CB 1.297 Z: 6 10.578 1.730 0.614 0.836 1.000 1.000 CA 1.269 5 residues pruned to eliminate duplicates Z: 8 6.945 1.899 0.333 0.659 0.857 0.571 CB 1.044 6 residues pruned to eliminate duplicates Z: 20 21.976 2.096 0.365 0.893 0.947 0.842 CB 1.335 19 residues pruned to eliminate duplicates Z: 18 12.476 1.909 0.692 0.551 0.882 0.588 CB 1.010 7 residues pruned to eliminate duplicates Z: 9 5.212 1.853 0.463 0.366 0.750 0.500 CA 1.047 9 residues pruned to eliminate duplicates Z: 10 10.112 1.974 0.379 0.614 0.889 0.667 CB 1.250 10 residues pruned to eliminate duplicates Z: 12 15.601 1.771 0.529 0.862 1.000 0.727 CB 1.275 11 residues pruned to eliminate duplicates Z: 7 2.926 1.476 0.414 0.407 0.667 0.500 CB 0.946 7 residues pruned to eliminate duplicates Z: 14 19.968 2.107 0.554 0.931 1.000 0.846 CA 1.181 14 residues pruned to eliminate duplicates Z: 12 11.029 1.903 0.284 0.830 0.909 0.727 CB 1.126 12 residues pruned to eliminate duplicates Z: 22 33.681 2.096 0.709 0.905 0.905 0.714 CA 1.614 21 residues pruned to eliminate duplicates Z: 35 25.737 2.099 0.483 0.502 0.941 0.676 CA 1.503 36 residues pruned to eliminate duplicates Z: 10 5.105 1.842 0.188 0.429 0.778 0.556 CB 1.076 10 residues pruned to eliminate duplicates Z: 19 33.038 2.272 0.690 0.906 0.944 0.667 CB 1.528 19 residues pruned to eliminate duplicates Z: 17 6.084 1.842 0.284 0.296 0.750 0.375 CB 1.077 Z: 21 28.808 2.092 0.733 0.903 0.850 0.300 CB 1.490 21 residues pruned to eliminate duplicates Z: 16 15.797 2.135 0.571 0.460 0.867 0.667 CB 1.462 16 residues pruned to eliminate duplicates Z: 11 22.307 2.120 0.629 0.896 1.000 0.500 CB 1.464 11 residues pruned to eliminate duplicates Z: 10 6.833 1.644 0.340 0.452 0.889 0.556 CB 1.222 Z: 22 19.385 2.117 0.473 0.527 0.905 0.810 CB 1.460 22 residues pruned to eliminate duplicates Z: 14 17.576 1.991 0.491 0.906 0.846 0.462 CA 1.380 14 residues pruned to eliminate duplicates Z: 40 19.195 2.014 0.473 0.357 0.795 0.538 CB 1.521 45 residues pruned to eliminate duplicates Z: 20 23.208 1.968 0.527 0.887 1.000 0.842 CA 1.277 20 residues pruned to eliminate duplicates Z: 6 5.908 1.965 -0.257 0.588 1.000 0.600 N 1.663 6 residues pruned to eliminate duplicates Z: 12 33.267 2.317 0.776 0.889 1.000 0.455 CA 1.755 12 residues pruned to eliminate duplicates Z: 20 48.023 2.381 0.895 0.922 1.000 0.737 CB 1.718 20 residues pruned to eliminate duplicates Z: 10 8.462 2.013 0.543 0.405 0.778 0.444 CB 1.290 Z: 6 4.233 1.443 0.541 0.744 0.600 0.600 C 1.141 Z: 35 22.458 2.084 0.466 0.465 0.853 0.706 CA 1.532 35 residues pruned to eliminate duplicates Z: 10 9.173 1.866 0.441 0.399 0.889 0.667 CA 1.424 6 residues pruned to eliminate duplicates Z: 12 19.142 1.973 0.580 0.915 1.000 0.545 CA 1.309 7 residues pruned to eliminate duplicates Z: 17 20.545 2.111 0.633 0.599 0.812 0.625 CA 1.667 17 residues pruned to eliminate duplicates Z: 29 18.785 1.918 0.608 0.615 0.893 0.750 CA 1.155 33 residues pruned to eliminate duplicates Z: 15 13.926 2.058 0.583 0.524 0.786 0.643 CA 1.420 14 residues pruned to eliminate duplicates Z: 40 20.112 1.923 0.411 0.453 0.872 0.667 CA 1.429 37 residues pruned to eliminate duplicates Z: 10 6.824 2.087 0.088 0.479 0.778 0.667 CB 1.316 Z: 22 29.434 2.107 0.428 0.896 1.000 0.905 CA 1.529 22 residues pruned to eliminate duplicates Z: 10 6.485 1.646 0.191 0.743 0.778 0.444 CB 1.140 9 residues pruned to eliminate duplicates Z: 20 7.761 1.789 0.222 0.319 0.789 0.421 CB 1.260 Z: 46 28.305 2.137 0.606 0.437 0.867 0.422 CB 1.515 68 residues pruned to eliminate duplicates Z: 9 5.943 1.918 0.083 0.456 1.000 0.500 CB 1.059 12 residues pruned to eliminate duplicates Z: 20 33.515 2.267 0.570 0.884 1.000 0.632 CB 1.561 20 residues pruned to eliminate duplicates Z: 13 20.370 2.154 0.598 0.535 1.000 0.667 CA 1.650 13 residues pruned to eliminate duplicates Z: 59 43.955 2.135 0.756 0.597 0.931 0.569 CB 1.508 56 residues pruned to eliminate duplicates Z: 6 3.538 1.837 0.326 0.489 0.800 0.600 CB 0.821 6 residues pruned to eliminate duplicates Z: 14 16.095 2.123 0.559 0.503 1.000 0.769 CB 1.344 14 residues pruned to eliminate duplicates Z: 9 17.461 2.063 0.710 0.896 1.000 0.250 CA 1.254 9 residues pruned to eliminate duplicates Z: 70 50.017 2.218 0.656 0.580 0.971 0.652 CA 1.563 70 residues pruned to eliminate duplicates Z: 16 25.679 2.149 0.622 0.855 1.000 0.667 CB 1.404 16 residues pruned to eliminate duplicates Z: 66 43.362 2.138 0.688 0.561 0.908 0.462 CB 1.547 66 residues pruned to eliminate duplicates Z: 33 32.814 2.131 0.576 0.572 0.969 0.688 CB 1.663 33 residues pruned to eliminate duplicates Z: 23 37.151 2.076 0.654 0.923 1.000 0.818 CB 1.620 23 residues pruned to eliminate duplicates Z: 17 20.627 1.927 0.854 0.918 1.000 0.750 CA 1.017 17 residues pruned to eliminate duplicates Z: 6 15.987 2.072 0.801 0.541 1.000 0.800 CB 1.839 6 residues pruned to eliminate duplicates Z: 11 14.785 1.821 0.774 0.817 0.900 0.800 CA 1.221 Z: 16 9.307 1.706 0.295 0.388 1.000 0.533 CB 1.225 Z: 10 11.441 1.640 0.648 0.824 0.889 0.667 CB 1.198 10 residues pruned to eliminate duplicates Z: 20 43.157 2.333 0.867 0.905 1.000 0.579 CB 1.618 20 residues pruned to eliminate duplicates Z: 10 6.833 1.987 0.139 0.486 0.889 0.778 CB 1.148 9 residues pruned to eliminate duplicates Z: 19 31.609 2.134 0.703 0.937 1.000 0.889 CA 1.427 19 residues pruned to eliminate duplicates Z: 33 27.982 2.036 0.447 0.680 0.969 0.781 CA 1.468 33 residues pruned to eliminate duplicates Z: 13 12.445 2.014 0.312 0.582 0.833 0.667 CA 1.507 11 residues pruned to eliminate duplicates Z: 23 42.159 2.098 0.808 0.930 1.000 0.909 CB 1.657 23 residues pruned to eliminate duplicates Z: 10 3.723 1.496 0.206 0.364 0.667 0.333 CB 1.194 Z: 20 35.595 2.240 0.846 0.894 0.947 0.789 CB 1.496 21 residues pruned to eliminate duplicates Z: 23 14.461 1.998 0.382 0.387 0.864 0.500 CB 1.458 23 residues pruned to eliminate duplicates Z: 12 8.794 1.948 0.318 0.824 0.636 0.545 CB 1.226 12 residues pruned to eliminate duplicates Z: 12 8.688 1.866 0.169 0.403 0.909 0.364 CB 1.464 7 residues pruned to eliminate duplicates Z: 23 14.822 1.940 0.703 0.340 0.773 0.500 CB 1.474 23 residues pruned to eliminate duplicates Z: 21 17.280 1.944 0.241 0.860 0.750 0.600 CB 1.571 21 residues pruned to eliminate duplicates Z: 12 17.873 1.994 0.434 0.836 1.000 0.727 CB 1.411 11 residues pruned to eliminate duplicates Z: 7 3.530 1.601 0.301 0.635 0.833 0.667 CB 0.731 Z: 12 10.403 2.079 0.571 0.424 0.727 0.636 CA 1.428 12 residues pruned to eliminate duplicates Z: 13 12.178 1.813 0.478 0.447 0.917 0.583 CA 1.511 16 residues pruned to eliminate duplicates Z: 29 22.535 2.071 0.557 0.485 0.893 0.536 CB 1.502 29 residues pruned to eliminate duplicates Z: 33 21.141 2.006 0.490 0.430 0.875 0.469 CB 1.537 46 residues pruned to eliminate duplicates Z: 17 6.860 1.918 0.297 0.239 0.688 0.500 CB 1.357 10 residues pruned to eliminate duplicates Z: 38 23.030 1.993 0.468 0.474 0.919 0.595 CA 1.445 38 residues pruned to eliminate duplicates Z: 17 21.328 1.963 0.645 0.898 1.000 0.750 CA 1.182 17 residues pruned to eliminate duplicates Z: 34 17.664 2.059 0.456 0.317 0.848 0.515 CB 1.479 34 residues pruned to eliminate duplicates Z: 13 11.887 1.857 0.474 0.575 0.917 0.667 CA 1.272 Z: 12 18.896 2.116 0.520 0.585 1.000 0.818 CA 1.634 12 residues pruned to eliminate duplicates Z: 67 45.586 2.154 0.666 0.582 0.939 0.652 CB 1.538 67 residues pruned to eliminate duplicates Z: 17 16.894 1.725 0.634 0.773 0.938 0.500 CB 1.255 15 residues pruned to eliminate duplicates Z: 30 16.660 1.954 0.413 0.360 0.862 0.448 CA 1.511 30 residues pruned to eliminate duplicates Z: 22 13.157 1.989 0.348 0.452 0.810 0.524 CB 1.390 22 residues pruned to eliminate duplicates 6 1.363 1.423 0.110 0.449 0.600 0.400 N 0.678 ? Z: 65 46.652 2.191 0.694 0.594 0.922 0.562 CB 1.557 66 residues pruned to eliminate duplicates Z: 7 4.588 1.945 -0.204 0.659 0.833 0.167 CB 1.253 Z: 22 22.692 2.115 0.686 0.599 0.905 0.619 CA 1.397 22 residues pruned to eliminate duplicates Z: 12 7.271 1.756 0.409 0.575 0.909 0.636 CB 0.906 7 residues pruned to eliminate duplicates Z: 23 15.392 2.066 0.366 0.414 0.818 0.545 CB 1.555 23 residues pruned to eliminate duplicates Z: 24 11.244 1.887 0.214 0.380 0.913 0.609 CB 1.274 20 residues pruned to eliminate duplicates Z: 6 3.707 1.786 0.487 0.418 1.000 1.000 CA 0.680 6 residues pruned to eliminate duplicates Z: 8 8.042 1.583 0.747 0.467 1.000 0.571 CB 1.137 Z: 12 5.899 1.755 0.441 0.542 0.545 0.364 CA 1.238 12 residues pruned to eliminate duplicates Z: 21 35.051 2.087 0.616 0.918 1.000 0.850 CB 1.639 21 residues pruned to eliminate duplicates Z: 8 12.655 1.785 0.604 0.623 1.000 0.571 CB 1.487 8 residues pruned to eliminate duplicates Z: 14 9.004 1.855 0.306 0.411 0.923 0.538 CA 1.226 Z: 18 10.005 2.026 0.479 0.353 0.706 0.471 CB 1.345 18 residues pruned to eliminate duplicates Z: 6 4.197 1.865 -0.249 0.620 1.000 0.200 CB 1.196 6 residues pruned to eliminate duplicates Z: 14 11.324 1.899 0.355 0.548 0.846 0.615 CB 1.376 14 residues pruned to eliminate duplicates Z: 22 14.145 1.890 0.443 0.422 0.810 0.571 CA 1.517 Z: 22 18.250 2.121 0.545 0.443 0.905 0.524 CB 1.425 22 residues pruned to eliminate duplicates Z: 14 11.154 1.758 0.465 0.537 1.000 0.385 N 1.158 14 residues pruned to eliminate duplicates Z: 19 16.329 1.863 0.528 0.623 0.944 0.722 CB 1.274 20 residues pruned to eliminate duplicates Z: 37 23.825 2.038 0.441 0.477 0.944 0.694 CA 1.464 39 residues pruned to eliminate duplicates Z: 11 9.385 1.930 0.520 0.442 0.800 0.500 CB 1.342 11 residues pruned to eliminate duplicates Z: 28 15.120 1.831 0.464 0.523 0.926 0.481 CB 1.145 25 residues pruned to eliminate duplicates Z: 18 15.571 2.113 0.693 0.376 0.882 0.529 CB 1.366 18 residues pruned to eliminate duplicates Z: 15 7.047 1.786 0.208 0.311 0.714 0.500 CB 1.507 15 residues pruned to eliminate duplicates Z: 9 6.731 1.510 0.428 0.542 0.875 0.750 N 1.210 Z: 34 18.738 1.921 0.493 0.365 0.848 0.576 CB 1.549 24 residues pruned to eliminate duplicates Z: 21 38.813 2.287 0.669 0.895 1.000 0.850 CB 1.630 21 residues pruned to eliminate duplicates Z: 35 19.691 2.017 0.445 0.352 0.882 0.559 CA 1.542 35 residues pruned to eliminate duplicates Z: 6 14.591 2.019 0.747 0.646 1.000 0.600 CB 1.614 6 residues pruned to eliminate duplicates Z: 10 11.513 1.990 0.527 0.494 1.000 0.778 CB 1.270 10 residues pruned to eliminate duplicates Z: 7 8.228 1.964 0.702 0.863 1.000 0.833 CB 0.738 8 residues pruned to eliminate duplicates Z: 9 13.551 1.804 0.720 0.546 1.000 0.750 CA 1.477 7 residues pruned to eliminate duplicates Z: 33 16.204 1.955 0.405 0.406 0.781 0.531 CB 1.474 33 residues pruned to eliminate duplicates Z: 10 14.456 2.094 0.644 0.625 0.889 0.556 CA 1.400 Z: 23 35.563 2.101 0.608 0.928 1.000 0.909 CA 1.572 23 residues pruned to eliminate duplicates Z: 21 17.685 1.927 0.763 0.369 0.900 0.600 CA 1.488 21 residues pruned to eliminate duplicates Z: 6 10.746 2.057 0.627 0.645 0.800 0.800 CA 1.568 6 residues pruned to eliminate duplicates Z: 7 3.548 1.668 -0.052 0.492 0.833 0.667 N 1.109 7 residues pruned to eliminate duplicates Z: 21 24.159 2.113 0.432 0.872 1.000 0.950 CB 1.301 21 residues pruned to eliminate duplicates Z: 8 11.075 1.979 0.277 0.759 0.857 0.714 CB 1.536 Z: 12 13.322 1.786 0.349 0.887 0.909 0.818 CB 1.323 12 residues pruned to eliminate duplicates Z: 12 11.608 1.790 0.585 0.800 0.818 0.364 CB 1.159 12 residues pruned to eliminate duplicates Z: 30 24.153 2.037 0.258 0.698 0.931 0.759 CA 1.569 22 residues pruned to eliminate duplicates Z: 10 14.080 1.768 0.619 0.857 1.000 0.778 CA 1.208 10 residues pruned to eliminate duplicates Z: 21 12.188 1.883 0.416 0.386 0.900 0.500 CB 1.282 17 residues pruned to eliminate duplicates Z: 9 3.017 1.824 -0.088 0.491 0.750 0.625 CB 0.863 Z: 18 25.098 2.170 0.592 0.874 0.824 0.529 CB 1.556 18 residues pruned to eliminate duplicates Z: 12 13.293 1.979 0.470 0.540 0.909 0.545 CB 1.457 12 residues pruned to eliminate duplicates Z: 21 36.214 2.150 0.794 0.912 0.950 0.550 CB 1.565 21 residues pruned to eliminate duplicates Z: 14 9.875 1.834 0.498 0.466 0.923 0.538 CB 1.118 14 residues pruned to eliminate duplicates Z: 9 4.628 1.689 0.411 0.634 0.750 0.750 CB 0.808 9 residues pruned to eliminate duplicates Z: 36 23.052 2.065 0.528 0.478 0.857 0.571 CA 1.474 36 residues pruned to eliminate duplicates Z: 26 11.516 1.888 0.240 0.509 0.960 0.720 CA 1.016 26 residues pruned to eliminate duplicates Z: 11 9.124 1.939 0.352 0.589 0.800 0.500 CB 1.264 11 residues pruned to eliminate duplicates Z: 21 27.261 2.206 0.568 0.811 0.900 0.600 CA 1.493 21 residues pruned to eliminate duplicates Z: 7 4.382 1.658 0.125 0.477 0.833 0.667 CA 1.178 7 residues pruned to eliminate duplicates Z: 16 22.437 1.925 0.884 0.876 1.000 0.800 CA 1.161 16 residues pruned to eliminate duplicates Z: 31 15.207 2.023 0.360 0.333 0.867 0.433 CA 1.398 19 residues pruned to eliminate duplicates Z: 21 15.739 2.126 0.452 0.506 0.950 0.750 CA 1.193 21 residues pruned to eliminate duplicates Z: 6 6.068 1.821 0.013 0.686 1.000 1.000 CB 1.241 Z: 21 57.763 2.352 1.173 0.954 1.000 0.700 CB 1.738 21 residues pruned to eliminate duplicates Z: 11 15.514 1.702 0.714 0.841 1.000 0.700 CA 1.254 11 residues pruned to eliminate duplicates Z: 16 15.585 1.936 0.726 0.523 0.867 0.600 CB 1.358 15 residues pruned to eliminate duplicates Z: 9 14.774 1.853 0.849 0.591 1.000 0.750 CB 1.398 8 residues pruned to eliminate duplicates Z: 12 6.862 1.929 0.440 0.360 0.909 0.545 CB 0.953 12 residues pruned to eliminate duplicates Z: 19 11.297 1.999 0.288 0.375 0.889 0.556 CB 1.330 19 residues pruned to eliminate duplicates Z: 18 12.429 1.955 0.211 0.386 0.941 0.529 CB 1.527 19 residues pruned to eliminate duplicates Z: 11 12.657 2.049 0.158 0.908 0.900 0.700 CB 1.331 11 residues pruned to eliminate duplicates Z: 33 19.991 2.085 0.361 0.477 0.844 0.656 CB 1.511 55 residues pruned to eliminate duplicates Z: 10 3.128 1.507 0.475 0.338 0.556 0.333 CA 1.008 4 residues pruned to eliminate duplicates Z: 6 9.287 1.900 0.722 0.467 1.000 0.800 CA 1.313 Z: 9 7.534 1.615 0.866 0.692 0.750 0.500 CA 0.989 Z: 22 38.133 2.217 0.727 0.909 1.000 0.762 CA 1.542 22 residues pruned to eliminate duplicates Z: 19 29.437 2.181 0.561 0.901 0.889 0.667 CA 1.637 19 residues pruned to eliminate duplicates Z: 6 2.774 1.816 -0.199 0.405 1.000 0.600 CB 0.943 6 residues pruned to eliminate duplicates Z: 19 9.949 1.906 0.151 0.397 0.833 0.333 CB 1.429 14 residues pruned to eliminate duplicates Z: 28 18.974 2.037 0.687 0.326 0.889 0.333 CB 1.448 28 residues pruned to eliminate duplicates Z: 9 8.891 1.819 0.568 0.408 0.875 0.375 CA 1.388 10 residues pruned to eliminate duplicates Z: 9 10.731 1.843 0.691 0.512 0.750 0.625 CB 1.604 8 residues pruned to eliminate duplicates Z: 34 19.529 2.098 0.460 0.368 0.879 0.606 CA 1.456 34 residues pruned to eliminate duplicates Z: 8 10.877 1.988 0.559 0.543 0.857 0.429 N 1.484 8 residues pruned to eliminate duplicates Z: 8 8.310 1.760 0.827 0.513 0.714 0.714 CB 1.350 8 residues pruned to eliminate duplicates Z: 32 25.035 2.074 0.497 0.506 0.968 0.774 CA 1.488 32 residues pruned to eliminate duplicates Z: 6 7.875 1.894 0.506 0.455 1.000 0.600 CA 1.293 6 residues pruned to eliminate duplicates 9 1.922 1.512 0.960 0.062 0.750 0.500 CB 0.544 ? Z: 20 46.305 2.364 0.854 0.917 1.000 0.684 CB 1.710 20 residues pruned to eliminate duplicates Z: 31 18.769 1.915 0.342 0.431 0.933 0.600 CB 1.535 31 residues pruned to eliminate duplicates Z: 6 4.715 1.779 0.755 0.379 0.600 0.400 CB 1.281 6 residues pruned to eliminate duplicates Z: 7 2.662 1.358 0.542 0.571 0.667 0.500 CA 0.727 7 residues pruned to eliminate duplicates Z: 14 14.907 2.024 0.418 0.638 0.923 0.615 CB 1.372 14 residues pruned to eliminate duplicates Z: 10 7.384 2.005 0.115 0.491 0.889 0.556 CA 1.250 9 residues pruned to eliminate duplicates Z: 11 14.155 2.027 0.252 0.873 0.900 0.400 CB 1.428 11 residues pruned to eliminate duplicates Z: 7 3.804 1.741 0.520 0.326 0.667 0.500 CA 1.065 7 residues pruned to eliminate duplicates Z: 66 44.378 2.172 0.557 0.591 0.969 0.631 CB 1.540 66 residues pruned to eliminate duplicates Z: 73 49.884 2.174 0.767 0.572 0.944 0.653 CA 1.512 73 residues pruned to eliminate duplicates Z: 7 2.440 1.625 0.199 0.249 0.833 0.333 C 0.819 Z: 21 9.317 1.878 0.469 0.298 0.800 0.550 CB 1.183 21 residues pruned to eliminate duplicates Z: 23 17.423 1.918 0.528 0.533 0.909 0.682 CB 1.348 23 residues pruned to eliminate duplicates Z: 12 10.591 1.860 0.283 0.549 0.909 0.545 CA 1.404 12 residues pruned to eliminate duplicates Z: 21 31.364 2.057 0.470 0.920 1.000 0.950 CA 1.633 21 residues pruned to eliminate duplicates Z: 9 7.264 1.665 0.312 0.518 0.875 0.500 CB 1.320 8 residues pruned to eliminate duplicates Z: 20 12.210 1.904 0.245 0.551 0.895 0.684 CA 1.257 20 residues pruned to eliminate duplicates Z: 10 14.245 1.918 0.569 0.906 1.000 0.889 CB 1.122 17 residues pruned to eliminate duplicates Z: 10 6.423 1.537 0.707 0.448 0.778 0.333 CB 1.107 9 residues pruned to eliminate duplicates Z: 31 27.111 2.112 0.643 0.487 0.967 0.767 CA 1.495 31 residues pruned to eliminate duplicates Z: 37 14.407 1.896 0.227 0.337 0.917 0.528 CB 1.345 37 residues pruned to eliminate duplicates Z: 12 4.361 1.883 0.170 0.413 0.727 0.636 CB 0.899 12 residues pruned to eliminate duplicates Z: 14 11.446 1.903 0.501 0.427 0.923 0.538 CB 1.300 14 residues pruned to eliminate duplicates Z: 23 18.265 2.086 0.663 0.404 0.864 0.500 CB 1.439 23 residues pruned to eliminate duplicates Z: 20 41.719 2.201 0.947 0.939 1.000 0.684 CB 1.552 20 residues pruned to eliminate duplicates Z: 18 39.092 2.278 0.913 0.925 1.000 0.471 CB 1.528 20 residues pruned to eliminate duplicates Z: 12 9.093 1.701 0.690 0.529 0.818 0.636 CA 1.133 8 residues pruned to eliminate duplicates Z: 12 11.261 1.776 0.216 0.856 1.000 0.636 CB 1.160 11 residues pruned to eliminate duplicates Z: 21 14.627 2.095 0.463 0.450 0.850 0.650 CB 1.321 21 residues pruned to eliminate duplicates Z: 52 40.050 2.184 0.646 0.611 0.902 0.627 CA 1.557 52 residues pruned to eliminate duplicates Z: 21 19.849 2.207 0.660 0.380 0.900 0.600 CA 1.530 6 residues pruned to eliminate duplicates 6 1.126 1.291 -0.287 0.331 1.000 0.600 CB 0.659 ? Z: 10 17.136 2.220 0.287 0.902 1.000 0.889 CA 1.426 10 residues pruned to eliminate duplicates Z: 13 7.853 1.696 0.530 0.546 0.750 0.667 CA 1.114 13 residues pruned to eliminate duplicates Z: 31 22.349 2.070 0.423 0.463 0.933 0.600 CA 1.542 31 residues pruned to eliminate duplicates Z: 11 14.657 1.953 0.709 0.605 1.000 0.900 CA 1.257 11 residues pruned to eliminate duplicates Z: 14 5.340 1.734 0.179 0.418 0.769 0.615 CB 1.026 14 residues pruned to eliminate duplicates Z: 38 15.009 1.940 0.311 0.349 0.838 0.541 CB 1.363 38 residues pruned to eliminate duplicates Z: 11 4.458 1.587 0.165 0.178 0.900 0.200 CB 1.250 11 residues pruned to eliminate duplicates Z: 10 6.570 1.692 0.436 0.436 0.889 0.556 CA 1.085 10 residues pruned to eliminate duplicates Z: 6 2.722 1.625 0.153 0.418 0.600 0.400 CA 1.180 Z: 7 7.598 1.889 0.734 0.459 0.667 0.667 CA 1.481 7 residues pruned to eliminate duplicates Z: 12 13.454 1.781 0.357 0.847 1.000 0.545 CA 1.246 12 residues pruned to eliminate duplicates Z: 18 17.163 2.026 0.478 0.555 0.824 0.647 CA 1.600 27 residues pruned to eliminate duplicates Z: 23 20.712 2.081 0.553 0.571 0.909 0.727 CB 1.404 23 residues pruned to eliminate duplicates Z: 10 6.043 1.663 0.389 0.328 0.889 0.444 N 1.185 Z: 29 21.033 1.975 0.693 0.472 0.821 0.607 CA 1.489 29 residues pruned to eliminate duplicates Z: 10 15.175 2.081 0.575 0.690 0.889 0.556 CA 1.459 11 residues pruned to eliminate duplicates Z: 11 12.677 1.905 0.883 0.418 1.000 0.500 CB 1.218 12 residues pruned to eliminate duplicates Z: 23 10.862 1.991 0.512 0.334 0.818 0.273 CB 1.127 23 residues pruned to eliminate duplicates Z: 12 13.608 1.897 0.323 0.887 1.000 0.727 CB 1.178 12 residues pruned to eliminate duplicates Z: 13 7.995 1.526 0.373 0.399 0.917 0.500 C 1.335 13 residues pruned to eliminate duplicates Z: 59 35.938 2.162 0.444 0.608 0.914 0.707 CB 1.494 59 residues pruned to eliminate duplicates Z: 35 23.184 2.058 0.462 0.468 0.882 0.647 CA 1.548 35 residues pruned to eliminate duplicates Z: 20 10.876 1.772 0.617 0.478 0.789 0.526 CA 1.128 25 residues pruned to eliminate duplicates Z: 14 12.548 1.798 0.581 0.531 0.923 0.692 CB 1.287 15 residues pruned to eliminate duplicates Z: 33 27.314 2.050 0.568 0.695 0.938 0.875 CA 1.341 33 residues pruned to eliminate duplicates Z: 11 20.105 2.023 0.538 0.816 0.900 0.700 CA 1.725 12 residues pruned to eliminate duplicates Z: 7 6.913 1.831 0.385 0.733 0.833 0.833 CA 1.083 Z: 21 25.541 2.186 0.334 0.896 0.950 0.750 CB 1.477 19 residues pruned to eliminate duplicates Z: 11 13.572 1.751 0.907 0.631 0.900 0.800 CA 1.263 11 residues pruned to eliminate duplicates Z: 33 15.561 2.034 0.333 0.362 0.812 0.500 CB 1.448 16 residues pruned to eliminate duplicates Z: 11 16.754 2.035 0.897 0.477 1.000 0.700 CA 1.406 11 residues pruned to eliminate duplicates Z: 7 7.763 1.963 0.212 0.677 0.833 0.500 CA 1.357 13 residues pruned to eliminate duplicates Z: 13 22.900 1.988 0.864 0.889 0.917 0.250 CB 1.401 13 residues pruned to eliminate duplicates Z: 15 6.667 1.655 0.239 0.368 0.714 0.357 CA 1.401 15 residues pruned to eliminate duplicates Z: 20 12.455 1.666 0.368 0.548 0.895 0.579 N 1.337 19 residues pruned to eliminate duplicates Z: 6 7.681 2.066 0.089 0.601 0.800 0.800 CA 1.733 6 residues pruned to eliminate duplicates Z: 17 8.615 1.767 0.126 0.526 0.812 0.500 CB 1.298 17 residues pruned to eliminate duplicates Z: 11 11.605 1.871 0.455 0.521 1.000 0.700 CB 1.320 12 residues pruned to eliminate duplicates Z: 11 5.415 1.640 0.329 0.400 0.900 0.600 CB 0.969 Z: 65 41.680 2.164 0.627 0.600 0.906 0.594 CB 1.485 65 residues pruned to eliminate duplicates Z: 20 17.540 1.859 0.715 0.878 0.895 0.474 CA 1.023 20 residues pruned to eliminate duplicates Z: 24 16.563 1.842 0.681 0.451 0.870 0.609 CB 1.349 24 residues pruned to eliminate duplicates Z: 17 7.675 1.705 0.224 0.408 0.812 0.250 CB 1.245 17 residues pruned to eliminate duplicates Z: 25 24.373 2.158 0.850 0.377 0.917 0.583 CB 1.550 25 residues pruned to eliminate duplicates Z: 6 3.142 1.563 0.412 0.507 0.600 0.400 CB 1.054 Z: 6 4.798 1.742 0.344 0.435 0.800 0.600 CA 1.225 Z: 37 24.613 2.042 0.421 0.536 0.944 0.667 CA 1.444 37 residues pruned to eliminate duplicates Z: 12 10.903 1.803 0.351 0.497 0.909 0.636 CB 1.490 12 residues pruned to eliminate duplicates Z: 31 17.496 1.974 0.597 0.338 0.833 0.567 CA 1.450 31 residues pruned to eliminate duplicates Z: 9 13.882 2.026 0.607 0.647 1.000 0.875 CA 1.315 9 residues pruned to eliminate duplicates Z: 9 6.698 1.665 0.753 0.441 0.750 0.500 CB 1.149 8 residues pruned to eliminate duplicates Z: 6 2.891 1.531 0.525 0.293 0.600 0.400 N 1.164 Z: 14 12.994 2.065 0.151 0.480 1.000 0.769 CB 1.548 14 residues pruned to eliminate duplicates Z: 8 3.292 1.463 -0.044 0.400 0.857 0.429 N 1.153 6 residues pruned to eliminate duplicates Z: 6 6.358 1.737 0.112 0.825 0.800 0.600 CB 1.389 6 residues pruned to eliminate duplicates Z: 15 8.581 1.824 0.490 0.436 0.643 0.571 CB 1.403 15 residues pruned to eliminate duplicates Z: 11 9.378 2.035 0.215 0.434 0.900 0.600 CB 1.427 11 residues pruned to eliminate duplicates Z: 11 7.502 1.676 0.618 0.400 0.900 0.700 CB 1.080 14 residues pruned to eliminate duplicates Z: 6 2.423 1.208 0.635 0.390 0.800 0.800 CA 0.770 Z: 10 11.327 1.772 0.141 0.920 1.000 0.889 CB 1.315 10 residues pruned to eliminate duplicates Z: 12 11.228 1.863 0.691 0.464 0.909 0.636 CB 1.226 12 residues pruned to eliminate duplicates Z: 6 6.260 1.725 0.111 0.695 1.000 0.800 CB 1.222 6 residues pruned to eliminate duplicates Z: 22 13.171 2.039 0.375 0.456 0.857 0.619 CB 1.251 22 residues pruned to eliminate duplicates Z: 17 9.136 1.680 0.701 0.335 0.812 0.562 CB 1.178 17 residues pruned to eliminate duplicates Z: 14 9.213 1.883 0.663 0.278 0.846 0.385 CB 1.240 14 residues pruned to eliminate duplicates Z: 11 7.416 1.809 0.288 0.579 0.800 0.500 CB 1.166 11 residues pruned to eliminate duplicates Z: 10 10.418 1.908 0.282 0.678 0.889 0.889 CA 1.355 10 residues pruned to eliminate duplicates Z: 36 17.148 2.032 0.431 0.357 0.771 0.514 CA 1.509 36 residues pruned to eliminate duplicates Z: 8 4.033 1.550 0.292 0.415 0.714 0.429 N 1.165 8 residues pruned to eliminate duplicates Z: 29 22.520 2.080 0.665 0.392 0.857 0.429 CB 1.607 29 residues pruned to eliminate duplicates Z: 11 13.352 1.914 0.206 0.866 1.000 0.700 CB 1.339 11 residues pruned to eliminate duplicates Z: 7 4.985 1.785 0.559 0.616 0.833 0.500 CB 0.786 Z: 9 4.539 1.558 0.348 0.541 0.750 0.625 CA 0.979 9 residues pruned to eliminate duplicates Z: 12 11.889 1.970 0.592 0.478 0.909 0.545 CA 1.285 12 residues pruned to eliminate duplicates Z: 23 30.643 2.184 0.708 0.660 0.955 0.773 CA 1.582 23 residues pruned to eliminate duplicates Z: 9 4.164 1.573 0.625 0.383 0.625 0.375 CB 1.043 8 residues pruned to eliminate duplicates Z: 11 11.888 1.775 0.757 0.813 0.900 0.300 CB 1.020 11 residues pruned to eliminate duplicates Z: 7 4.953 1.771 0.271 0.487 0.667 0.333 CB 1.366 7 residues pruned to eliminate duplicates Z: 20 21.867 2.087 0.467 0.626 0.895 0.737 CA 1.626 20 residues pruned to eliminate duplicates Z: 31 24.015 2.093 0.500 0.500 0.933 0.767 CA 1.497 31 residues pruned to eliminate duplicates Z: 24 24.174 2.118 0.477 0.636 0.957 0.826 CA 1.483 24 residues pruned to eliminate duplicates Z: 34 27.176 2.137 0.504 0.474 0.939 0.545 CA 1.608 34 residues pruned to eliminate duplicates Z: 7 3.273 1.375 0.243 0.372 0.833 0.500 O 1.076 Z: 21 32.402 2.072 0.663 0.863 0.950 0.700 CB 1.624 21 residues pruned to eliminate duplicates Z: 12 5.092 1.614 0.537 0.321 0.636 0.455 N 1.185 9 residues pruned to eliminate duplicates 6 1.698 1.277 0.593 0.384 1.000 0.800 CB 0.422 ? Z: 6 8.473 1.603 0.724 0.599 1.000 0.800 CB 1.247 7 residues pruned to eliminate duplicates Z: 15 5.648 1.659 0.517 0.437 0.786 0.429 CB 0.814 15 residues pruned to eliminate duplicates Z: 18 12.944 1.915 0.523 0.344 0.882 0.529 N 1.446 18 residues pruned to eliminate duplicates Z: 6 4.490 1.807 0.126 0.761 0.800 0.600 CB 0.978 6 residues pruned to eliminate duplicates Z: 10 11.494 1.722 0.778 0.487 1.000 0.556 CA 1.268 9 residues pruned to eliminate duplicates Z: 6 3.421 1.658 -0.049 0.666 0.800 0.800 CB 1.040 Z: 28 13.960 1.925 0.480 0.399 0.815 0.630 CB 1.287 27 residues pruned to eliminate duplicates Z: 35 19.092 1.988 0.442 0.418 0.882 0.559 CA 1.409 35 residues pruned to eliminate duplicates Z: 23 18.032 1.862 0.681 0.483 0.955 0.682 CB 1.309 22 residues pruned to eliminate duplicates Z: 33 19.512 1.888 0.449 0.494 0.906 0.594 CA 1.400 33 residues pruned to eliminate duplicates Z: 7 3.281 1.629 0.663 0.332 1.000 0.667 CA 0.594 Z: 19 11.062 1.922 0.381 0.303 0.889 0.667 CB 1.377 19 residues pruned to eliminate duplicates Z: 6 2.701 1.430 0.366 0.436 0.600 0.400 CB 1.102 Z: 16 22.189 2.001 0.703 0.887 1.000 0.600 CA 1.212 16 residues pruned to eliminate duplicates Z: 13 12.470 1.903 0.798 0.431 0.917 0.667 CB 1.233 13 residues pruned to eliminate duplicates Z: 20 25.431 1.987 0.758 0.932 1.000 0.684 CA 1.166 20 residues pruned to eliminate duplicates Z: 9 4.489 1.725 0.369 0.531 0.625 0.375 N 1.043 Z: 9 7.683 1.568 0.165 0.685 1.000 0.625 CB 1.256 9 residues pruned to eliminate duplicates Z: 26 11.026 1.777 0.337 0.470 0.840 0.440 CB 1.138 26 residues pruned to eliminate duplicates Z: 9 13.481 1.944 0.502 0.871 1.000 0.875 CB 1.191 9 residues pruned to eliminate duplicates 6 1.793 1.440 0.049 0.299 0.800 0.800 CB 0.831 ? Z: 13 7.201 1.718 0.384 0.444 0.750 0.500 CB 1.234 13 residues pruned to eliminate duplicates Z: 21 33.621 2.111 0.804 0.913 0.900 0.600 CB 1.552 21 residues pruned to eliminate duplicates Z: 8 4.224 1.475 0.369 0.498 0.857 0.571 CB 0.925 7 residues pruned to eliminate duplicates Z: 6 4.141 1.735 0.499 0.502 0.600 0.400 CA 1.184 6 residues pruned to eliminate duplicates Z: 10 4.930 1.443 0.274 0.542 0.778 0.556 CB 1.103 Z: 25 12.492 2.030 0.364 0.381 0.833 0.500 CB 1.256 29 residues pruned to eliminate duplicates Z: 8 5.260 1.856 0.431 0.477 0.857 0.571 CB 0.894 8 residues pruned to eliminate duplicates Z: 19 9.014 1.838 0.487 0.363 0.833 0.556 CB 1.080 18 residues pruned to eliminate duplicates Z: 6 11.417 2.041 0.794 0.622 1.000 0.600 CB 1.243 5 residues pruned to eliminate duplicates Z: 14 10.300 2.084 0.409 0.414 0.846 0.538 CB 1.258 14 residues pruned to eliminate duplicates Z: 19 17.037 1.927 0.557 0.859 0.889 0.500 CA 1.108 19 residues pruned to eliminate duplicates Z: 29 19.319 1.933 0.408 0.410 0.964 0.679 CB 1.529 29 residues pruned to eliminate duplicates Z: 18 9.545 1.923 0.509 0.262 0.706 0.412 CA 1.482 18 residues pruned to eliminate duplicates Z: 24 13.157 2.035 0.365 0.451 0.870 0.522 CB 1.195 24 residues pruned to eliminate duplicates Z: 25 16.164 1.920 0.491 0.458 0.792 0.542 CA 1.521 25 residues pruned to eliminate duplicates Z: 10 10.903 1.764 0.586 0.796 0.889 0.333 CA 1.128 Z: 7 3.803 1.969 0.106 0.404 0.833 0.667 CA 0.947 Z: 11 3.122 1.510 0.271 0.267 0.800 0.500 CB 0.838 11 residues pruned to eliminate duplicates Z: 15 12.009 1.886 0.412 0.484 0.929 0.500 CB 1.319 15 residues pruned to eliminate duplicates 6 1.795 1.510 -0.228 0.618 0.800 0.800 CB 0.769 ? Z: 7 8.324 1.664 0.599 0.615 1.000 0.667 CB 1.146 Z: 7 5.217 1.702 -0.052 0.485 1.000 0.500 O 1.340 7 residues pruned to eliminate duplicates Z: 20 36.388 2.198 0.843 0.915 0.947 0.737 CB 1.538 20 residues pruned to eliminate duplicates Z: 9 10.404 1.992 0.422 0.642 1.000 0.250 CB 1.138 9 residues pruned to eliminate duplicates Z: 9 10.030 1.827 0.594 0.515 0.875 0.625 CA 1.371 Z: 6 10.160 2.048 0.695 0.463 1.000 0.800 CB 1.359 6 residues pruned to eliminate duplicates Z: 10 7.029 1.716 0.305 0.536 0.889 0.444 CA 1.136 10 residues pruned to eliminate duplicates Z: 29 37.719 2.197 0.664 0.751 1.000 0.893 CA 1.559 29 residues pruned to eliminate duplicates Z: 18 9.383 1.811 0.162 0.385 0.882 0.471 CB 1.385 18 residues pruned to eliminate duplicates Z: 8 6.890 1.709 0.595 0.679 0.857 0.857 CA 0.945 7 residues pruned to eliminate duplicates Z: 9 3.565 1.600 0.120 0.494 0.750 0.625 CB 0.943 9 residues pruned to eliminate duplicates Z: 6 4.181 1.142 0.654 0.761 0.800 0.200 O 0.981 Z: 10 3.318 1.420 0.503 0.245 0.778 0.444 CB 0.894 5 residues pruned to eliminate duplicates Z: 6 3.278 1.462 0.262 0.478 0.800 0.600 CB 1.015 Z: 7 2.687 1.298 0.234 0.335 0.833 0.667 CB 0.984 Z: 8 5.229 1.602 0.546 0.467 0.714 0.429 CA 1.155 8 residues pruned to eliminate duplicates Z: 62 36.706 2.130 0.448 0.585 0.967 0.672 CB 1.452 62 residues pruned to eliminate duplicates Z: 10 3.777 1.487 -0.061 0.535 0.778 0.556 C 1.121 Z: 16 16.693 1.914 0.390 0.512 1.000 0.667 N 1.601 16 residues pruned to eliminate duplicates Z: 6 3.765 1.619 0.068 0.620 0.800 0.800 C 1.087 Z: 19 6.917 1.825 0.360 0.220 0.778 0.389 CB 1.173 19 residues pruned to eliminate duplicates Z: 6 4.246 1.588 -0.038 0.771 1.000 0.800 N 0.979 Z: 22 31.911 2.090 0.459 0.909 1.000 0.857 CB 1.621 22 residues pruned to eliminate duplicates Z: 8 8.297 1.382 0.599 0.798 1.000 0.714 CA 1.094 Z: 12 3.582 1.648 0.432 0.322 0.727 0.364 CB 0.766 12 residues pruned to eliminate duplicates Z: 10 10.845 2.017 0.664 0.342 0.889 0.556 CA 1.438 25 residues pruned to eliminate duplicates Z: 6 3.434 1.691 -0.063 0.632 1.000 0.800 C 0.856 Z: 10 9.047 1.702 0.312 0.658 1.000 0.667 CB 1.166 13 residues pruned to eliminate duplicates Z: 15 10.625 1.960 0.275 0.503 0.857 0.500 CB 1.322 15 residues pruned to eliminate duplicates Z: 9 3.423 1.552 0.230 0.187 0.875 0.375 N 1.054 Z: 14 9.836 1.885 0.773 0.255 0.846 0.231 CA 1.278 14 residues pruned to eliminate duplicates Z: 6 4.610 1.676 0.677 0.628 0.800 0.600 CB 0.813 Z: 10 3.922 1.415 0.340 0.413 0.778 0.556 CB 0.971 Z: 6 2.530 1.440 0.281 0.349 0.800 0.400 CA 0.903 Z: 7 2.874 1.797 0.279 0.243 0.500 0.500 CB 1.375 7 residues pruned to eliminate duplicates Z: 7 6.083 1.524 0.399 0.662 0.833 0.667 CB 1.204 7 residues pruned to eliminate duplicates Z: 21 18.261 2.088 0.432 0.526 0.950 0.800 CB 1.401 21 residues pruned to eliminate duplicates Z: 19 10.772 1.690 0.514 0.406 0.778 0.500 N 1.408 19 residues pruned to eliminate duplicates Z: 10 13.116 2.064 0.533 0.585 1.000 0.444 CB 1.273 11 residues pruned to eliminate duplicates Z: 8 5.344 1.601 0.192 0.564 0.857 0.429 CB 1.160 10 residues pruned to eliminate duplicates Z: 22 25.552 2.176 0.416 0.862 0.905 0.810 CA 1.469 22 residues pruned to eliminate duplicates Z: 7 5.467 1.515 0.600 0.372 0.833 0.333 O 1.267 6 1.715 1.600 -0.096 0.237 0.600 0.400 O 1.199 ? Z: 11 10.634 1.722 0.335 0.648 1.000 0.500 CB 1.274 11 residues pruned to eliminate duplicates Z: 6 4.393 1.499 0.055 0.433 1.000 0.400 O 1.330 Z: 9 8.377 1.723 0.455 0.724 1.000 0.750 CB 0.965 9 residues pruned to eliminate duplicates Z: 12 11.201 1.865 0.461 0.457 0.909 0.545 CA 1.425 14 residues pruned to eliminate duplicates Z: 8 4.055 1.424 0.298 0.424 0.857 0.429 C 1.047 Z: 26 15.479 1.865 0.459 0.510 0.840 0.600 CB 1.341 26 residues pruned to eliminate duplicates Z: 21 15.919 2.083 0.582 0.365 0.850 0.500 CA 1.469 21 residues pruned to eliminate duplicates Z: 7 5.463 1.428 0.187 0.869 1.000 0.667 CA 0.962 7 residues pruned to eliminate duplicates Z: 8 11.767 1.932 0.362 0.705 0.857 0.571 N 1.636 8 residues pruned to eliminate duplicates Z: 20 12.524 1.887 0.226 0.466 0.842 0.526 CB 1.526 30 residues pruned to eliminate duplicates Z: 10 13.514 2.101 0.715 0.408 0.889 0.778 CA 1.549 10 residues pruned to eliminate duplicates Z: 11 5.284 1.592 0.227 0.447 0.800 0.300 CB 1.129 8 residues pruned to eliminate duplicates Z: 30 18.048 2.073 0.565 0.395 0.828 0.586 CB 1.395 30 residues pruned to eliminate duplicates 7 1.001 1.292 -0.114 0.246 0.667 0.333 O 0.717 ? Z: 8 10.695 1.706 0.782 0.634 0.857 0.714 CB 1.368 9 residues pruned to eliminate duplicates Z: 22 10.879 1.860 0.261 0.378 0.905 0.524 CB 1.274 22 residues pruned to eliminate duplicates Z: 16 8.339 1.866 0.426 0.363 0.733 0.333 N 1.278 16 residues pruned to eliminate duplicates Z: 73 50.174 2.191 0.769 0.569 0.931 0.597 CB 1.533 73 residues pruned to eliminate duplicates Z: 12 9.836 1.777 0.588 0.493 1.000 0.636 CB 1.058 12 residues pruned to eliminate duplicates Z: 7 3.827 1.498 0.100 0.643 0.833 0.500 CB 0.995 Z: 6 2.565 1.440 0.365 0.151 1.000 0.400 CB 0.896 Z: 7 3.283 1.653 0.412 0.247 0.833 0.667 CB 0.922 7 residues pruned to eliminate duplicates Z: 6 3.297 1.511 0.436 0.435 0.600 0.400 C 1.212 Z: 17 14.558 2.056 0.801 0.549 0.750 0.688 CB 1.249 17 residues pruned to eliminate duplicates Z: 6 4.314 1.409 0.398 0.701 1.000 0.600 CB 0.815 Z: 30 16.655 1.939 0.322 0.466 0.897 0.586 CA 1.393 30 residues pruned to eliminate duplicates Z: 8 5.100 1.632 0.337 0.438 0.857 0.571 N 1.100 8 residues pruned to eliminate duplicates Z: 7 3.748 1.557 0.381 0.463 0.667 0.667 CB 1.109 Z: 19 10.995 1.886 0.719 0.224 0.778 0.333 CB 1.421 19 residues pruned to eliminate duplicates Z: 6 4.240 1.587 0.257 0.830 0.800 0.600 CA 0.893 6 residues pruned to eliminate duplicates Z: 13 8.386 1.785 0.397 0.399 0.750 0.417 CB 1.440 13 residues pruned to eliminate duplicates 6 1.757 1.157 0.353 0.286 0.800 0.400 N 0.798 ? Z: 13 16.237 1.808 0.732 0.851 1.000 0.500 CB 1.108 13 residues pruned to eliminate duplicates Z: 24 25.482 2.175 0.299 0.728 0.957 0.870 CA 1.601 24 residues pruned to eliminate duplicates Z: 6 2.475 1.582 0.135 0.361 0.600 0.400 N 1.194 Z: 14 2.922 1.431 0.271 0.308 0.692 0.308 CB 0.796 6 residues pruned to eliminate duplicates Z: 7 2.030 1.440 0.205 0.133 0.667 0.333 C 1.132 Z: 14 7.267 1.710 0.142 0.348 1.000 0.538 CB 1.218 7 1.623 1.344 0.192 0.213 0.833 0.667 CB 0.695 ? Z: 9 5.740 1.832 0.248 0.436 0.750 0.625 CA 1.265 9 residues pruned to eliminate duplicates Z: 9 7.414 1.785 0.364 0.600 0.750 0.625 CB 1.305 9 residues pruned to eliminate duplicates Z: 32 14.460 1.923 0.205 0.380 0.935 0.516 CA 1.363 32 residues pruned to eliminate duplicates Z: 22 11.943 1.944 0.306 0.520 0.810 0.524 CB 1.243 22 residues pruned to eliminate duplicates Z: 7 2.145 1.342 0.365 0.413 0.500 0.333 N 1.047 Z: 11 7.642 1.646 0.839 0.426 0.800 0.600 CB 1.077 10 residues pruned to eliminate duplicates Z: 14 6.428 1.836 0.113 0.379 0.846 0.308 CB 1.173 14 residues pruned to eliminate duplicates Z: 7 6.236 1.402 0.535 0.885 1.000 1.000 CA 0.854 7 residues pruned to eliminate duplicates Z: 7 8.217 2.005 0.011 0.656 1.000 0.833 CA 1.431 7 residues pruned to eliminate duplicates Z: 7 2.437 1.454 0.174 0.302 0.833 0.500 CA 0.872 Z: 11 16.905 2.010 0.637 0.876 1.000 0.700 CB 1.181 11 residues pruned to eliminate duplicates Z: 25 31.892 2.177 0.777 0.657 1.000 0.542 CA 1.454 25 residues pruned to eliminate duplicates Z: 17 20.108 2.178 0.360 0.633 0.938 0.750 CB 1.597 17 residues pruned to eliminate duplicates Z: 6 2.694 1.425 0.490 0.465 0.800 0.600 CB 0.735 6 residues pruned to eliminate duplicates Z: 6 3.137 1.440 0.325 0.363 0.800 0.600 CB 1.065 Z: 6 4.841 1.778 0.275 0.442 0.800 0.600 CB 1.267 Z: 7 4.177 1.628 0.542 0.498 0.667 0.500 CA 1.021 6 1.631 1.548 0.473 0.283 0.800 0.600 CB 0.511 ? Z: 11 7.067 1.622 0.512 0.328 0.800 0.500 N 1.375 11 residues pruned to eliminate duplicates 6 -0.081 1.493 0.826 0.349 0.600 0.400 CB-0.026 ? Z: 31 18.301 1.899 0.426 0.499 0.833 0.433 CA 1.481 31 residues pruned to eliminate duplicates Z: 21 27.684 2.048 0.502 0.800 1.000 0.850 CA 1.548 21 residues pruned to eliminate duplicates 6 1.198 1.258 -0.082 0.299 0.600 0.600 CB 0.969 ? Z: 26 21.870 2.062 0.491 0.479 0.960 0.760 CA 1.515 26 residues pruned to eliminate duplicates Z: 7 9.340 1.912 0.566 0.581 1.000 0.500 CB 1.178 7 residues pruned to eliminate duplicates Z: 6 4.349 1.539 0.486 0.504 0.800 0.400 CB 1.059 13 residues pruned to eliminate duplicates Z: 6 2.851 1.236 0.207 0.696 1.000 0.800 CB 0.715 Z: 12 8.448 1.761 0.515 0.542 0.818 0.455 CB 1.120 12 residues pruned to eliminate duplicates Z: 6 2.037 1.272 0.675 0.420 0.800 0.600 CB 0.581 Z: 50 45.697 2.166 0.690 0.681 1.000 0.531 CB 1.510 50 residues pruned to eliminate duplicates Z: 26 13.491 1.887 0.669 0.469 0.880 0.480 CB 1.004 26 residues pruned to eliminate duplicates Z: 6 4.204 1.451 0.186 0.658 0.800 0.800 CA 1.180 Z: 6 4.233 1.701 0.608 0.456 1.000 0.400 CB 0.724 Z: 10 9.175 1.710 0.571 0.549 1.000 0.667 CA 1.086 10 residues pruned to eliminate duplicates Z: 9 4.999 1.753 0.524 0.639 0.875 0.500 CB 0.664 9 residues pruned to eliminate duplicates Z: 6 5.387 1.286 0.991 0.762 0.800 0.600 CB 0.932 Z: 7 4.506 1.400 0.804 0.430 0.667 0.333 CA 1.174 Z: 15 16.299 1.991 0.490 0.770 0.929 0.714 CB 1.245 15 residues pruned to eliminate duplicates Z: 7 3.017 1.303 0.029 0.348 1.000 0.667 CA 1.083 Z: 9 11.425 1.704 0.401 0.824 1.000 0.500 CA 1.278 9 residues pruned to eliminate duplicates Z: 6 4.403 1.627 0.055 0.699 0.800 0.800 CB 1.197 7 residues pruned to eliminate duplicates Z: 17 6.019 1.514 0.452 0.308 0.875 0.438 CB 0.969 17 residues pruned to eliminate duplicates Z: 28 19.215 1.912 0.400 0.504 0.889 0.704 CB 1.548 28 residues pruned to eliminate duplicates Z: 6 2.185 1.513 0.206 0.377 0.800 0.600 CB 0.764 Z: 14 10.042 1.765 0.437 0.572 0.846 0.692 CA 1.211 14 residues pruned to eliminate duplicates 7 1.581 1.080 0.564 0.213 0.833 0.333 CA 0.643 ? Z: 7 9.408 2.003 0.779 0.396 1.000 0.667 CB 1.203 7 residues pruned to eliminate duplicates Z: 7 2.900 1.674 0.219 0.357 0.667 0.500 CB 1.016 Z: 12 2.552 1.380 0.194 0.166 0.727 0.455 CB 0.965 Z: 9 13.342 1.996 0.514 0.682 0.875 0.625 CA 1.510 9 residues pruned to eliminate duplicates Z: 20 37.557 2.261 0.685 0.917 1.000 0.947 CA 1.596 20 residues pruned to eliminate duplicates Z: 10 3.204 1.566 0.125 0.233 0.778 0.333 CB 1.064 10 residues pruned to eliminate duplicates Z: 41 13.714 1.886 0.210 0.370 0.825 0.475 CB 1.324 41 residues pruned to eliminate duplicates Z: 49 15.217 1.920 0.211 0.346 0.854 0.396 CB 1.306 91 residues pruned to eliminate duplicates Z: 15 6.527 1.615 0.667 0.232 0.786 0.357 CA 1.126 15 residues pruned to eliminate duplicates 6 1.808 1.370 0.110 0.431 0.600 0.400 C 0.953 ? Z: 22 17.978 2.142 0.719 0.324 0.952 0.524 CB 1.357 22 residues pruned to eliminate duplicates 6 1.783 1.312 -0.193 0.847 1.000 1.000 CB 0.559 ? Z: 44 38.634 2.125 0.601 0.670 0.977 0.628 CA 1.516 44 residues pruned to eliminate duplicates Z: 7 2.200 1.447 0.349 0.552 0.667 0.500 CB 0.657 Z: 6 2.192 1.400 0.212 0.523 0.800 0.600 CB 0.706 6 residues pruned to eliminate duplicates Z: 27 19.197 1.964 0.610 0.324 0.923 0.615 CB 1.567 29 residues pruned to eliminate duplicates Z: 8 3.761 1.211 0.403 0.493 1.000 0.429 CA 0.842 Z: 6 2.117 1.269 0.207 0.417 0.800 0.600 CB 0.842 Z: 8 2.437 1.389 -0.006 0.459 1.000 0.571 N 0.695 8 residues pruned to eliminate duplicates Z: 9 5.983 1.248 0.543 0.848 0.875 0.750 CA 0.930 9 residues pruned to eliminate duplicates Z: 7 2.887 1.282 0.235 0.472 0.833 0.667 CB 0.919 Z: 20 41.267 2.136 0.921 0.935 1.000 0.737 CA 1.607 20 residues pruned to eliminate duplicates Z: 6 5.633 1.651 0.450 0.571 0.800 0.600 CB 1.228 6 residues pruned to eliminate duplicates Z: 8 3.252 1.782 -0.076 0.474 0.714 0.286 CB 1.073 8 residues pruned to eliminate duplicates Z: 8 4.914 1.445 0.207 0.466 1.000 0.571 CB 1.102 Z: 8 6.384 1.295 0.397 0.835 1.000 0.714 N 0.999 6 residues pruned to eliminate duplicates Z: 8 2.442 1.713 -0.008 0.384 0.714 0.571 CB 0.860 8 residues pruned to eliminate duplicates Z: 16 15.485 2.042 0.496 0.552 0.933 0.800 CA 1.334 16 residues pruned to eliminate duplicates Z: 6 5.954 1.531 0.337 0.804 1.000 0.800 C 0.997 Z: 6 7.808 1.754 0.295 0.620 1.000 0.800 CB 1.373 6 residues pruned to eliminate duplicates Z: 30 27.459 2.100 0.451 0.769 0.966 0.897 CA 1.366 30 residues pruned to eliminate duplicates Z: 6 2.012 1.355 0.610 0.317 0.800 0.400 N 0.631 Z: 27 17.679 1.930 0.321 0.434 0.962 0.577 CA 1.515 27 residues pruned to eliminate duplicates Z: 37 29.112 2.010 0.697 0.581 0.917 0.472 CA 1.436 37 residues pruned to eliminate duplicates Z: 6 2.617 1.367 0.375 0.689 0.800 0.800 N 0.654 Z: 10 6.816 2.054 0.343 0.398 0.778 0.556 CA 1.180 10 residues pruned to eliminate duplicates Z: 38 20.807 1.969 0.502 0.479 0.892 0.622 CA 1.325 38 residues pruned to eliminate duplicates Z: 13 6.751 1.672 0.542 0.313 0.833 0.500 CB 1.116 13 residues pruned to eliminate duplicates Z: 11 7.319 1.678 0.123 0.491 1.000 0.700 CA 1.240 Using tripeptides from previous cycle as seeds Z: 6 6.787 1.330 1.216 0.394 1.000 0.600 CA 1.152 6 residues pruned to eliminate duplicates Z: 10 10.360 1.903 0.614 0.428 0.889 0.556 CB 1.363 12 residues pruned to eliminate duplicates Z: 9 8.008 1.614 0.679 0.252 1.000 0.250 CA 1.390 10 residues pruned to eliminate duplicates Z: 13 22.108 1.831 0.785 0.903 1.000 0.667 CB 1.393 14 residues pruned to eliminate duplicates Z: 13 17.564 1.883 0.662 0.783 1.000 0.583 CB 1.263 13 residues pruned to eliminate duplicates Z: 15 10.203 1.868 0.462 0.577 0.786 0.357 CB 1.180 15 residues pruned to eliminate duplicates Z: 9 13.986 2.067 0.782 0.860 0.750 0.500 CA 1.316 9 residues pruned to eliminate duplicates Z: 10 15.948 2.049 0.732 0.780 0.889 0.444 CB 1.317 10 residues pruned to eliminate duplicates Z: 38 30.286 2.026 0.595 0.675 0.892 0.351 CB 1.470 38 residues pruned to eliminate duplicates Z: 14 10.932 1.877 0.394 0.632 0.846 0.385 CB 1.210 14 residues pruned to eliminate duplicates Z: 14 21.137 1.931 0.861 0.711 0.923 0.462 CB 1.460 14 residues pruned to eliminate duplicates Z: 10 16.554 2.056 0.913 0.704 0.778 0.111 CB 1.498 10 residues pruned to eliminate duplicates Z: 8 4.698 1.678 0.377 0.579 0.714 0.429 CB 0.996 7 residues pruned to eliminate duplicates 7 1.473 1.217 0.356 0.251 0.500 0.333 CA 0.970 ? Z: 6 3.600 1.399 0.415 0.468 1.000 1.000 CA 0.840 6 residues pruned to eliminate duplicates Z: 11 4.473 1.838 0.082 0.264 0.700 0.600 CB 1.329 11 residues pruned to eliminate duplicates Z: 46 20.890 2.049 0.615 0.287 0.867 0.444 CB 1.380 43 residues pruned to eliminate duplicates Z: 7 10.728 1.698 0.881 0.444 1.000 0.500 CB 1.453 7 residues pruned to eliminate duplicates Z: 18 9.090 1.862 0.535 0.339 0.706 0.471 CB 1.303 18 residues pruned to eliminate duplicates Z: 20 7.876 1.955 0.105 0.295 0.842 0.421 CB 1.249 20 residues pruned to eliminate duplicates Z: 18 11.073 1.986 0.405 0.324 0.824 0.471 CB 1.418 18 residues pruned to eliminate duplicates Z: 17 9.476 1.959 0.058 0.418 0.875 0.562 CA 1.423 17 residues pruned to eliminate duplicates Z: 6 9.404 1.962 0.241 0.698 1.000 0.800 CA 1.441 6 residues pruned to eliminate duplicates Z: 6 2.423 1.479 -0.057 0.398 1.000 0.600 CA 0.866 6 residues pruned to eliminate duplicates Z: 13 7.128 1.710 0.159 0.462 0.833 0.500 CB 1.295 13 residues pruned to eliminate duplicates Z: 16 6.441 1.646 0.086 0.370 0.867 0.467 CB 1.233 16 residues pruned to eliminate duplicates Z: 15 6.652 1.738 0.217 0.362 0.929 0.500 CB 1.049 14 residues pruned to eliminate duplicates Z: 6 4.178 1.467 0.369 0.313 1.000 0.400 C 1.145 8 residues pruned to eliminate duplicates Z: 6 5.503 1.696 0.593 0.352 1.000 0.600 CA 1.069 6 residues pruned to eliminate duplicates Z: 10 12.899 2.089 0.589 0.665 0.889 0.556 CA 1.251 10 residues pruned to eliminate duplicates Z: 27 8.618 1.587 0.506 0.360 0.923 0.538 CB 0.891 15 residues pruned to eliminate duplicates Z: 6 4.669 1.555 0.389 0.396 1.000 0.200 CA 1.079 5 residues pruned to eliminate duplicates Z: 6 2.170 1.398 0.495 0.371 0.800 0.400 CA 0.666 5 residues pruned to eliminate duplicates Z: 6 5.894 1.563 0.854 0.375 0.800 0.400 C 1.299 Z: 7 6.029 1.774 0.774 0.425 0.667 0.500 CA 1.268 7 residues pruned to eliminate duplicates Z: 9 7.451 1.984 0.432 0.429 0.750 0.500 CB 1.330 9 residues pruned to eliminate duplicates Z: 30 11.649 1.896 0.571 0.315 0.828 0.414 CB 1.076 30 residues pruned to eliminate duplicates Z: 10 13.526 2.025 0.584 0.499 0.889 0.444 CA 1.583 10 residues pruned to eliminate duplicates Z: 14 7.275 1.870 0.589 0.339 0.692 0.231 CB 1.168 14 residues pruned to eliminate duplicates Z: 7 6.616 1.809 0.460 0.677 1.000 0.833 CA 0.869 7 residues pruned to eliminate duplicates Z: 8 7.614 1.867 0.516 0.750 1.000 0.571 CA 0.814 8 residues pruned to eliminate duplicates Z: 8 7.866 1.765 0.731 0.652 0.857 0.714 CA 0.985 8 residues pruned to eliminate duplicates Z: 13 7.255 1.614 0.457 0.499 1.000 0.750 CB 0.892 11 residues pruned to eliminate duplicates Z: 8 6.748 1.752 1.032 0.654 0.857 0.571 CB 0.724 8 residues pruned to eliminate duplicates Z: 9 8.854 1.765 0.705 0.730 0.875 0.375 CB 0.967 10 residues pruned to eliminate duplicates Z: 7 4.639 1.689 0.383 0.493 0.667 0.500 CA 1.224 7 residues pruned to eliminate duplicates Z: 11 10.712 1.972 0.368 0.424 1.000 0.500 CA 1.359 10 residues pruned to eliminate duplicates Z: 8 4.101 1.614 0.656 0.207 0.714 0.286 CA 1.149 8 residues pruned to eliminate duplicates Z: 11 14.968 2.034 0.505 0.507 1.000 0.600 CA 1.536 11 residues pruned to eliminate duplicates Z: 7 2.588 1.291 0.390 0.620 0.667 0.167 CA 0.788 7 residues pruned to eliminate duplicates Z: 23 14.262 1.969 0.291 0.591 0.864 0.636 CA 1.270 23 residues pruned to eliminate duplicates Z: 6 2.114 1.792 0.299 0.312 0.600 0.400 CB 0.834 6 residues pruned to eliminate duplicates Z: 16 17.066 1.962 0.684 0.566 0.867 0.600 CA 1.443 15 residues pruned to eliminate duplicates Z: 6 2.351 1.520 -0.220 0.433 1.000 0.800 CA 0.951 6 residues pruned to eliminate duplicates Z: 16 12.565 1.932 0.561 0.544 0.867 0.667 CB 1.189 16 residues pruned to eliminate duplicates Z: 26 15.354 1.924 0.612 0.531 0.800 0.520 CB 1.201 26 residues pruned to eliminate duplicates Z: 16 10.748 1.971 0.544 0.386 0.800 0.400 CB 1.286 16 residues pruned to eliminate duplicates Z: 13 13.640 2.046 0.724 0.508 0.833 0.500 CB 1.329 13 residues pruned to eliminate duplicates Z: 6 2.787 1.392 0.203 0.548 0.800 0.200 CB 0.888 6 residues pruned to eliminate duplicates Z: 9 3.953 1.925 0.461 0.081 0.750 0.250 N 1.141 9 residues pruned to eliminate duplicates Z: 9 2.702 1.508 0.327 0.077 0.750 0.250 N 1.103 9 residues pruned to eliminate duplicates Z: 14 6.567 1.534 0.466 0.242 0.846 0.538 CB 1.290 14 residues pruned to eliminate duplicates Z: 10 3.570 1.663 0.112 0.201 0.889 0.333 N 1.033 10 residues pruned to eliminate duplicates Z: 37 23.821 2.015 0.538 0.471 0.889 0.667 CA 1.484 37 residues pruned to eliminate duplicates Z: 40 21.009 1.917 0.422 0.430 0.923 0.487 CA 1.438 40 residues pruned to eliminate duplicates Z: 38 22.265 1.988 0.568 0.442 0.865 0.541 CA 1.442 38 residues pruned to eliminate duplicates Z: 42 23.168 1.962 0.525 0.411 0.878 0.561 CB 1.511 42 residues pruned to eliminate duplicates Z: 36 25.082 2.055 0.534 0.483 0.914 0.714 CA 1.496 36 residues pruned to eliminate duplicates Z: 36 21.759 2.038 0.420 0.465 0.886 0.571 CA 1.487 36 residues pruned to eliminate duplicates Z: 30 18.247 1.972 0.493 0.385 0.862 0.517 CA 1.509 30 residues pruned to eliminate duplicates Z: 30 20.061 2.023 0.492 0.381 0.931 0.552 CB 1.505 30 residues pruned to eliminate duplicates Z: 38 24.613 2.019 0.544 0.478 0.946 0.622 CA 1.404 38 residues pruned to eliminate duplicates Z: 36 21.773 2.049 0.412 0.477 0.886 0.714 CA 1.470 36 residues pruned to eliminate duplicates Z: 22 15.272 2.018 0.398 0.359 0.857 0.571 CA 1.604 22 residues pruned to eliminate duplicates Z: 36 25.169 2.065 0.467 0.497 0.971 0.714 CA 1.449 36 residues pruned to eliminate duplicates Z: 36 24.361 2.073 0.486 0.498 0.914 0.629 CA 1.465 36 residues pruned to eliminate duplicates Z: 25 21.205 2.081 0.386 0.461 0.958 0.667 CA 1.629 25 residues pruned to eliminate duplicates Z: 31 24.732 2.105 0.467 0.494 0.933 0.667 CA 1.576 31 residues pruned to eliminate duplicates Z: 38 24.878 2.010 0.581 0.486 0.892 0.676 CA 1.464 38 residues pruned to eliminate duplicates Z: 37 24.467 2.034 0.415 0.477 0.944 0.556 CA 1.535 37 residues pruned to eliminate duplicates Z: 36 25.249 2.064 0.487 0.496 0.886 0.600 CA 1.577 36 residues pruned to eliminate duplicates Z: 20 20.966 2.090 0.422 0.544 0.895 0.632 CB 1.733 20 residues pruned to eliminate duplicates Z: 42 24.718 1.974 0.558 0.456 0.878 0.707 CA 1.495 42 residues pruned to eliminate duplicates Z: 31 27.579 2.149 0.573 0.501 0.967 0.700 CA 1.539 31 residues pruned to eliminate duplicates Z: 30 29.460 2.145 0.605 0.495 1.000 0.759 CA 1.596 30 residues pruned to eliminate duplicates Z: 36 24.498 2.093 0.480 0.482 0.914 0.600 CA 1.488 36 residues pruned to eliminate duplicates Z: 38 22.931 1.986 0.487 0.487 0.919 0.649 CA 1.407 38 residues pruned to eliminate duplicates Z: 36 26.728 2.080 0.516 0.486 0.943 0.686 CA 1.541 36 residues pruned to eliminate duplicates Z: 35 24.096 2.081 0.437 0.496 0.912 0.647 CA 1.521 35 residues pruned to eliminate duplicates Z: 38 27.542 2.026 0.593 0.467 0.946 0.676 CB 1.534 37 residues pruned to eliminate duplicates Z: 6 3.024 1.447 0.350 0.337 1.000 0.600 O 0.827 6 residues pruned to eliminate duplicates Z: 13 12.669 1.935 0.856 0.401 0.917 0.583 CB 1.232 13 residues pruned to eliminate duplicates Z: 7 9.409 1.823 0.643 0.434 1.000 0.500 N 1.373 7 residues pruned to eliminate duplicates Z: 23 17.686 2.082 0.393 0.434 0.909 0.636 CB 1.531 23 residues pruned to eliminate duplicates Z: 14 9.482 1.970 0.332 0.380 0.769 0.308 CB 1.480 15 residues pruned to eliminate duplicates Z: 7 7.913 2.149 0.734 0.460 0.833 0.167 CB 1.084 7 residues pruned to eliminate duplicates Z: 29 18.142 2.075 0.416 0.403 0.893 0.464 CB 1.447 29 residues pruned to eliminate duplicates Z: 35 14.206 1.923 0.444 0.321 0.824 0.500 CA 1.297 25 residues pruned to eliminate duplicates Z: 11 8.314 2.028 0.622 0.181 0.800 0.300 CA 1.467 14 residues pruned to eliminate duplicates Z: 32 16.798 2.047 0.387 0.380 0.839 0.323 CA 1.439 30 residues pruned to eliminate duplicates Z: 7 6.588 1.578 0.615 0.497 1.000 0.333 CA 1.059 Z: 8 4.955 1.819 0.473 0.436 0.714 0.143 CA 1.046 7 residues pruned to eliminate duplicates Z: 6 4.876 1.701 0.710 0.365 1.000 0.600 CB 0.866 6 residues pruned to eliminate duplicates Z: 33 16.036 2.084 0.420 0.281 0.844 0.469 CB 1.453 41 residues pruned to eliminate duplicates Z: 31 19.345 2.082 0.501 0.414 0.833 0.500 CB 1.484 31 residues pruned to eliminate duplicates Z: 33 17.767 2.027 0.398 0.366 0.875 0.562 CB 1.462 33 residues pruned to eliminate duplicates Z: 34 17.303 2.076 0.517 0.312 0.788 0.485 CB 1.496 34 residues pruned to eliminate duplicates Z: 32 16.797 2.052 0.382 0.336 0.903 0.581 CB 1.409 32 residues pruned to eliminate duplicates Z: 7 7.056 1.989 0.322 0.619 0.667 0.500 CA 1.468 7 residues pruned to eliminate duplicates Z: 7 7.832 1.978 0.258 0.528 0.833 0.667 CA 1.499 7 residues pruned to eliminate duplicates Z: 8 8.344 1.830 0.591 0.441 0.857 0.571 CB 1.342 8 residues pruned to eliminate duplicates Z: 8 8.867 2.039 0.599 0.462 0.714 0.571 CA 1.495 8 residues pruned to eliminate duplicates Z: 7 5.584 1.788 0.619 0.543 0.667 0.667 CA 1.133 7 residues pruned to eliminate duplicates Z: 10 11.969 1.784 0.554 0.471 1.000 0.667 C 1.482 10 residues pruned to eliminate duplicates Z: 7 7.561 1.486 0.717 0.546 1.000 0.667 CA 1.156 7 residues pruned to eliminate duplicates Z: 8 7.032 1.807 0.821 0.497 0.714 0.571 CB 1.135 8 residues pruned to eliminate duplicates Z: 9 14.265 1.975 0.411 0.646 1.000 0.750 N 1.579 9 residues pruned to eliminate duplicates Z: 10 15.507 1.914 0.606 0.567 1.000 0.778 CB 1.577 10 residues pruned to eliminate duplicates Z: 9 16.658 1.940 0.752 0.639 1.000 0.750 N 1.521 10 residues pruned to eliminate duplicates Z: 6 4.785 1.650 0.682 0.332 0.800 0.600 CB 1.158 6 residues pruned to eliminate duplicates Z: 10 15.171 2.107 0.558 0.469 0.889 0.444 CA 1.788 18 residues pruned to eliminate duplicates Z: 7 12.507 2.020 0.330 0.645 1.000 0.667 CA 1.659 7 residues pruned to eliminate duplicates Z: 11 11.323 1.959 0.527 0.342 0.900 0.400 CB 1.580 11 residues pruned to eliminate duplicates Z: 8 10.949 1.909 0.737 0.360 0.857 0.429 CB 1.693 6 residues pruned to eliminate duplicates Z: 9 12.390 2.024 0.341 0.502 1.000 0.625 CA 1.611 9 residues pruned to eliminate duplicates Z: 10 4.511 1.723 0.234 0.363 0.667 0.222 CB 1.229 10 residues pruned to eliminate duplicates Z: 10 13.014 2.086 0.373 0.428 0.889 0.444 CA 1.836 10 residues pruned to eliminate duplicates Z: 9 5.814 1.851 0.526 0.234 0.625 0.375 CB 1.585 9 residues pruned to eliminate duplicates Z: 15 15.749 2.004 0.367 0.521 0.929 0.571 CB 1.620 15 residues pruned to eliminate duplicates Z: 10 15.284 1.975 0.381 0.564 1.000 0.444 CA 1.756 10 residues pruned to eliminate duplicates Z: 6 8.585 1.860 0.694 0.664 0.800 0.600 CA 1.309 6 residues pruned to eliminate duplicates Z: 16 15.456 1.977 0.297 0.511 1.000 0.733 CB 1.539 16 residues pruned to eliminate duplicates Z: 22 16.970 1.978 0.497 0.521 0.905 0.762 CB 1.355 22 residues pruned to eliminate duplicates Z: 17 16.536 1.951 0.419 0.535 0.938 0.625 CB 1.539 17 residues pruned to eliminate duplicates Z: 23 18.505 1.912 0.550 0.522 0.955 0.636 CB 1.365 23 residues pruned to eliminate duplicates Z: 24 18.704 1.840 0.619 0.506 0.957 0.696 CB 1.360 24 residues pruned to eliminate duplicates Z: 20 20.264 2.040 0.608 0.539 0.947 0.789 CB 1.440 20 residues pruned to eliminate duplicates Z: 27 16.647 1.767 0.551 0.489 0.923 0.577 CB 1.305 27 residues pruned to eliminate duplicates Z: 7 4.003 1.462 0.610 0.382 0.833 0.667 CB 0.945 7 residues pruned to eliminate duplicates Z: 9 6.538 1.663 0.686 0.622 0.875 0.750 CB 0.840 9 residues pruned to eliminate duplicates Z: 21 17.572 1.997 0.378 0.566 0.950 0.750 CB 1.410 21 residues pruned to eliminate duplicates Z: 22 20.955 1.975 0.677 0.517 0.952 0.619 CB 1.426 22 residues pruned to eliminate duplicates 6 1.218 1.191 0.513 0.300 0.600 0.400 CA 0.630 ? Z: 6 4.115 1.592 0.886 0.308 0.800 0.400 CA 0.948 6 residues pruned to eliminate duplicates Z: 13 9.014 1.743 0.347 0.642 0.917 0.583 CA 1.059 13 residues pruned to eliminate duplicates Z: 11 10.532 1.858 0.610 0.591 0.800 0.600 CA 1.275 11 residues pruned to eliminate duplicates Z: 12 9.453 1.895 0.503 0.520 0.727 0.727 CA 1.349 12 residues pruned to eliminate duplicates Z: 13 9.105 1.766 0.446 0.564 0.917 0.750 CA 1.055 13 residues pruned to eliminate duplicates Z: 12 8.154 1.800 0.329 0.506 0.727 0.545 CA 1.406 12 residues pruned to eliminate duplicates Z: 15 9.942 1.863 0.491 0.504 0.714 0.571 CA 1.333 15 residues pruned to eliminate duplicates Z: 17 13.565 1.906 0.727 0.586 0.812 0.625 CA 1.168 17 residues pruned to eliminate duplicates Z: 11 9.126 1.959 0.487 0.624 0.800 0.600 CA 1.102 11 residues pruned to eliminate duplicates Z: 67 29.515 1.992 0.458 0.542 0.879 0.636 CA 1.366 86 residues pruned to eliminate duplicates Z: 6 2.277 1.338 0.480 0.196 0.800 0.200 N 0.924 6 residues pruned to eliminate duplicates Z: 23 18.379 2.117 0.542 0.447 0.909 0.682 CB 1.394 23 residues pruned to eliminate duplicates Z: 24 15.289 2.075 0.486 0.397 0.870 0.522 CB 1.326 24 residues pruned to eliminate duplicates Z: 13 9.290 2.074 0.306 0.382 0.917 0.500 CB 1.224 13 residues pruned to eliminate duplicates Z: 23 17.175 2.142 0.525 0.415 0.864 0.500 CB 1.419 23 residues pruned to eliminate duplicates Z: 22 19.724 2.111 0.615 0.413 0.952 0.524 CB 1.453 22 residues pruned to eliminate duplicates Z: 22 18.787 2.124 0.687 0.445 0.857 0.667 CB 1.411 22 residues pruned to eliminate duplicates Z: 24 17.373 2.063 0.590 0.400 0.913 0.478 CB 1.344 24 residues pruned to eliminate duplicates Z: 24 11.307 1.994 0.347 0.340 0.826 0.478 CB 1.266 24 residues pruned to eliminate duplicates Z: 28 15.171 1.938 0.511 0.379 0.852 0.556 CB 1.331 28 residues pruned to eliminate duplicates Z: 24 17.504 2.080 0.554 0.437 0.913 0.696 CB 1.320 24 residues pruned to eliminate duplicates Z: 21 17.177 2.131 0.614 0.444 0.850 0.700 CB 1.392 21 residues pruned to eliminate duplicates Z: 15 13.709 2.118 0.416 0.413 0.929 0.500 CA 1.441 15 residues pruned to eliminate duplicates Z: 28 21.455 2.091 0.325 0.670 0.963 0.815 CA 1.323 28 residues pruned to eliminate duplicates Z: 20 13.056 2.097 0.357 0.361 0.842 0.526 CB 1.451 20 residues pruned to eliminate duplicates Z: 23 17.327 2.070 0.513 0.441 0.909 0.591 CB 1.379 23 residues pruned to eliminate duplicates Z: 38 19.285 1.964 0.501 0.489 0.892 0.703 CB 1.219 38 residues pruned to eliminate duplicates Z: 22 14.191 2.127 0.468 0.393 0.810 0.619 CA 1.372 22 residues pruned to eliminate duplicates Z: 25 19.424 2.100 0.634 0.443 0.917 0.542 CB 1.337 25 residues pruned to eliminate duplicates Z: 36 26.868 1.982 0.736 0.659 0.943 0.771 CA 1.208 36 residues pruned to eliminate duplicates Z: 21 25.497 2.007 0.668 0.906 0.950 0.900 CA 1.276 21 residues pruned to eliminate duplicates Z: 18 24.468 2.075 0.697 0.795 1.000 0.706 CA 1.301 18 residues pruned to eliminate duplicates Z: 23 27.976 2.023 0.734 0.829 0.955 0.636 CB 1.340 23 residues pruned to eliminate duplicates Z: 39 31.637 2.084 0.599 0.671 0.947 0.737 CA 1.388 39 residues pruned to eliminate duplicates Z: 17 25.254 2.110 0.724 0.810 1.000 0.812 CA 1.325 17 residues pruned to eliminate duplicates Z: 15 15.433 1.988 0.673 0.718 0.857 0.500 CA 1.188 15 residues pruned to eliminate duplicates Z: 14 24.090 2.048 1.095 0.749 1.000 0.615 CA 1.247 14 residues pruned to eliminate duplicates Z: 18 24.884 2.044 0.825 0.771 0.941 0.647 CA 1.353 18 residues pruned to eliminate duplicates Z: 21 20.313 1.981 0.755 0.830 0.800 0.550 CA 1.227 21 residues pruned to eliminate duplicates Z: 35 23.187 1.918 0.740 0.637 0.824 0.529 CA 1.272 35 residues pruned to eliminate duplicates Z: 44 27.004 1.971 0.711 0.611 0.884 0.488 CB 1.243 44 residues pruned to eliminate duplicates Z: 19 21.695 1.920 1.003 0.786 0.944 0.444 CA 1.095 19 residues pruned to eliminate duplicates Z: 21 28.010 2.027 0.975 0.880 0.950 0.650 CA 1.194 20 residues pruned to eliminate duplicates Z: 16 18.224 1.882 0.936 0.914 0.867 0.267 CA 1.054 17 residues pruned to eliminate duplicates Z: 21 26.783 2.024 0.942 0.894 0.950 0.650 CA 1.151 21 residues pruned to eliminate duplicates Z: 21 29.611 1.992 0.935 0.921 1.000 0.600 CA 1.208 21 residues pruned to eliminate duplicates Z: 21 18.328 1.922 0.853 0.800 0.800 0.500 CA 1.106 21 residues pruned to eliminate duplicates Z: 43 33.773 2.084 0.655 0.521 0.929 0.524 CB 1.593 22 residues pruned to eliminate duplicates Z: 12 21.946 2.042 0.684 0.857 0.909 0.636 CB 1.559 12 residues pruned to eliminate duplicates Z: 12 22.340 2.079 0.685 0.819 1.000 0.818 CA 1.458 12 residues pruned to eliminate duplicates Z: 12 13.670 1.992 0.580 0.739 0.909 0.636 CA 1.163 13 residues pruned to eliminate duplicates Z: 12 23.267 2.107 0.536 0.915 1.000 0.818 CB 1.532 12 residues pruned to eliminate duplicates Z: 12 17.717 2.028 0.296 0.867 1.000 0.727 CA 1.487 12 residues pruned to eliminate duplicates Z: 15 16.141 1.976 0.564 0.623 0.929 0.643 CA 1.339 15 residues pruned to eliminate duplicates Z: 15 16.011 1.979 0.441 0.635 0.929 0.643 CA 1.423 15 residues pruned to eliminate duplicates Z: 13 12.934 1.892 0.134 0.866 1.000 0.750 CA 1.274 12 residues pruned to eliminate duplicates Z: 12 21.184 2.173 0.398 0.883 1.000 0.818 CB 1.521 12 residues pruned to eliminate duplicates Z: 37 31.720 2.128 0.528 0.532 0.972 0.639 CA 1.620 37 residues pruned to eliminate duplicates Z: 33 23.628 2.085 0.494 0.465 0.875 0.594 CA 1.587 33 residues pruned to eliminate duplicates Z: 19 15.754 2.071 0.560 0.352 0.889 0.500 CB 1.517 19 residues pruned to eliminate duplicates Z: 18 22.995 2.083 0.392 0.724 1.000 0.765 CA 1.571 18 residues pruned to eliminate duplicates Z: 32 22.497 2.111 0.418 0.442 0.871 0.548 CA 1.644 32 residues pruned to eliminate duplicates Z: 14 14.017 2.144 0.445 0.356 0.923 0.231 CA 1.588 14 residues pruned to eliminate duplicates Z: 26 21.232 2.138 0.563 0.371 0.920 0.520 CA 1.586 26 residues pruned to eliminate duplicates Z: 32 24.290 2.089 0.556 0.460 0.839 0.548 CB 1.668 32 residues pruned to eliminate duplicates Z: 31 22.648 2.118 0.484 0.452 0.900 0.667 CA 1.536 31 residues pruned to eliminate duplicates Z: 33 26.290 2.096 0.592 0.425 0.969 0.531 CB 1.554 33 residues pruned to eliminate duplicates Z: 32 21.226 2.101 0.534 0.413 0.806 0.516 CA 1.606 32 residues pruned to eliminate duplicates Z: 32 23.583 2.094 0.564 0.458 0.871 0.516 CA 1.551 32 residues pruned to eliminate duplicates Z: 38 28.623 2.093 0.529 0.531 0.892 0.595 CB 1.599 38 residues pruned to eliminate duplicates Z: 6 10.618 1.717 1.415 0.443 1.000 0.600 CA 1.215 6 residues pruned to eliminate duplicates Z: 37 29.932 2.129 0.614 0.505 0.889 0.639 CA 1.626 37 residues pruned to eliminate duplicates Z: 42 31.992 2.138 0.473 0.535 0.927 0.659 CA 1.653 42 residues pruned to eliminate duplicates Z: 22 19.756 2.153 0.531 0.491 0.810 0.714 CA 1.630 22 residues pruned to eliminate duplicates Z: 36 29.812 2.132 0.571 0.531 0.943 0.629 CA 1.547 36 residues pruned to eliminate duplicates Z: 26 19.388 2.068 0.590 0.459 0.840 0.560 CA 1.464 26 residues pruned to eliminate duplicates Z: 31 25.786 2.127 0.587 0.464 0.933 0.600 CA 1.551 31 residues pruned to eliminate duplicates Z: 26 20.899 2.116 0.629 0.435 0.880 0.560 CA 1.474 26 residues pruned to eliminate duplicates Z: 20 19.659 2.114 0.542 0.502 0.947 0.632 CA 1.456 20 residues pruned to eliminate duplicates Z: 24 21.947 2.138 0.604 0.476 0.913 0.565 CA 1.497 24 residues pruned to eliminate duplicates Z: 20 21.988 2.154 0.634 0.532 0.947 0.579 CA 1.466 20 residues pruned to eliminate duplicates Z: 38 23.553 1.997 0.543 0.421 0.892 0.432 CA 1.530 38 residues pruned to eliminate duplicates Z: 16 9.781 1.806 0.467 0.594 0.800 0.667 CB 1.090 16 residues pruned to eliminate duplicates Z: 17 6.409 1.806 0.183 0.440 0.688 0.438 CB 1.161 17 residues pruned to eliminate duplicates Z: 13 10.750 1.808 0.463 0.622 0.833 0.583 CB 1.254 13 residues pruned to eliminate duplicates Z: 17 17.612 1.957 0.642 0.579 0.938 0.625 CB 1.355 17 residues pruned to eliminate duplicates Z: 15 17.346 2.014 0.551 0.659 0.929 0.857 CB 1.379 15 residues pruned to eliminate duplicates Z: 29 30.656 2.090 0.743 0.528 0.929 0.536 CA 1.666 29 residues pruned to eliminate duplicates Z: 62 40.844 2.027 0.684 0.596 0.951 0.656 CB 1.471 62 residues pruned to eliminate duplicates Z: 60 41.909 2.113 0.650 0.590 0.949 0.695 CA 1.512 61 residues pruned to eliminate duplicates Z: 14 13.742 1.782 0.830 0.577 0.846 0.308 CB 1.283 13 residues pruned to eliminate duplicates Z: 6 7.445 1.853 0.652 0.393 1.000 0.600 CA 1.218 6 residues pruned to eliminate duplicates Z: 27 26.676 2.111 0.430 0.734 0.962 0.808 CA 1.461 27 residues pruned to eliminate duplicates Z: 32 22.762 2.053 0.397 0.607 0.903 0.710 CA 1.427 32 residues pruned to eliminate duplicates Z: 34 26.514 2.007 0.365 0.708 0.939 0.727 CA 1.484 34 residues pruned to eliminate duplicates Z: 53 38.131 2.129 0.654 0.564 0.942 0.712 CA 1.497 53 residues pruned to eliminate duplicates Z: 32 27.940 2.087 0.468 0.696 0.935 0.839 CA 1.464 32 residues pruned to eliminate duplicates Z: 37 23.222 1.969 0.541 0.563 0.917 0.778 CB 1.309 37 residues pruned to eliminate duplicates Z: 33 30.776 2.060 0.571 0.719 0.938 0.750 CA 1.470 33 residues pruned to eliminate duplicates Z: 33 26.991 2.024 0.504 0.655 0.938 0.750 CA 1.447 33 residues pruned to eliminate duplicates Z: 31 17.130 2.122 0.488 0.272 0.833 0.567 CB 1.540 31 residues pruned to eliminate duplicates Z: 30 15.149 2.045 0.302 0.366 0.828 0.586 CB 1.475 30 residues pruned to eliminate duplicates Z: 31 21.600 2.120 0.529 0.338 0.900 0.567 CA 1.614 31 residues pruned to eliminate duplicates Z: 37 22.440 2.098 0.518 0.378 0.889 0.583 CB 1.504 37 residues pruned to eliminate duplicates Z: 17 15.725 2.201 0.470 0.344 0.875 0.562 CA 1.646 17 residues pruned to eliminate duplicates Z: 29 14.168 1.881 0.554 0.308 0.821 0.500 CA 1.380 29 residues pruned to eliminate duplicates Z: 30 22.512 2.059 0.582 0.449 0.862 0.448 CA 1.570 30 residues pruned to eliminate duplicates Z: 29 25.795 2.068 0.568 0.518 0.929 0.679 CB 1.590 29 residues pruned to eliminate duplicates Z: 24 21.382 2.117 0.668 0.378 0.870 0.435 CA 1.653 24 residues pruned to eliminate duplicates Z: 30 24.646 2.019 0.506 0.529 0.931 0.517 CB 1.571 30 residues pruned to eliminate duplicates Z: 46 26.155 2.075 0.559 0.439 0.889 0.578 CA 1.444 46 residues pruned to eliminate duplicates Z: 28 23.911 2.150 0.500 0.457 0.926 0.556 CB 1.611 28 residues pruned to eliminate duplicates Z: 27 27.445 2.138 0.756 0.483 0.923 0.538 CA 1.580 27 residues pruned to eliminate duplicates Z: 31 23.030 2.026 0.608 0.504 0.900 0.533 CA 1.428 31 residues pruned to eliminate duplicates Z: 48 33.309 2.103 0.627 0.536 0.915 0.638 CA 1.497 48 residues pruned to eliminate duplicates Z: 31 26.060 2.041 0.616 0.526 0.900 0.600 CA 1.562 31 residues pruned to eliminate duplicates Z: 49 26.670 2.004 0.582 0.452 0.875 0.500 CB 1.457 49 residues pruned to eliminate duplicates Z: 61 48.538 2.112 0.768 0.599 0.967 0.617 CB 1.580 61 residues pruned to eliminate duplicates Z: 27 28.627 2.085 0.801 0.742 0.885 0.538 CB 1.360 27 residues pruned to eliminate duplicates Z: 36 31.854 2.002 0.850 0.644 0.886 0.686 CB 1.435 36 residues pruned to eliminate duplicates Z: 31 39.539 2.140 0.751 0.745 0.967 0.733 CB 1.601 31 residues pruned to eliminate duplicates Z: 64 39.051 2.045 0.809 0.555 0.873 0.508 CB 1.445 64 residues pruned to eliminate duplicates Z: 31 39.625 2.120 0.917 0.737 0.967 0.633 CB 1.489 31 residues pruned to eliminate duplicates Z: 59 44.433 2.131 0.759 0.595 0.914 0.621 CB 1.556 59 residues pruned to eliminate duplicates Z: 61 40.607 2.069 0.754 0.581 0.867 0.567 CB 1.542 61 residues pruned to eliminate duplicates Z: 32 42.513 2.143 0.863 0.751 1.000 0.613 CB 1.529 32 residues pruned to eliminate duplicates Z: 35 34.730 2.024 0.766 0.697 0.941 0.500 CB 1.480 35 residues pruned to eliminate duplicates Z: 45 38.230 2.157 0.580 0.706 0.977 0.636 CA 1.435 45 residues pruned to eliminate duplicates Z: 45 39.649 2.150 0.660 0.680 0.977 0.659 CA 1.452 45 residues pruned to eliminate duplicates Z: 64 44.396 2.195 0.636 0.575 0.937 0.492 CB 1.547 64 residues pruned to eliminate duplicates Z: 66 47.437 2.184 0.674 0.608 0.938 0.538 CA 1.548 66 residues pruned to eliminate duplicates Z: 65 48.245 2.195 0.659 0.613 0.938 0.562 CB 1.587 65 residues pruned to eliminate duplicates Z: 66 43.858 2.167 0.670 0.563 0.923 0.462 CB 1.531 66 residues pruned to eliminate duplicates Z: 51 44.170 2.207 0.696 0.638 0.940 0.600 CB 1.560 51 residues pruned to eliminate duplicates Z: 36 23.630 2.087 0.657 0.464 0.886 0.343 CB 1.352 36 residues pruned to eliminate duplicates Z: 29 13.816 2.053 0.528 0.313 0.786 0.393 CB 1.303 29 residues pruned to eliminate duplicates Z: 25 18.113 2.099 0.663 0.346 0.875 0.417 CB 1.431 25 residues pruned to eliminate duplicates Z: 66 43.700 2.168 0.626 0.583 0.938 0.569 CB 1.513 66 residues pruned to eliminate duplicates Z: 27 20.442 2.175 0.728 0.388 0.808 0.346 CB 1.487 27 residues pruned to eliminate duplicates Z: 44 33.661 2.167 0.649 0.551 0.930 0.581 CB 1.469 44 residues pruned to eliminate duplicates Z: 65 47.258 2.202 0.618 0.596 0.969 0.578 CB 1.562 65 residues pruned to eliminate duplicates Z: 30 20.747 2.131 0.732 0.438 0.793 0.414 CB 1.403 30 residues pruned to eliminate duplicates Z: 23 18.195 2.169 0.652 0.366 0.864 0.455 CB 1.447 23 residues pruned to eliminate duplicates Z: 17 11.083 1.928 0.528 0.422 0.812 0.500 CB 1.255 17 residues pruned to eliminate duplicates Z: 66 52.411 2.186 0.801 0.604 0.969 0.600 CB 1.544 66 residues pruned to eliminate duplicates Z: 67 41.958 2.136 0.770 0.555 0.879 0.485 CB 1.472 67 residues pruned to eliminate duplicates Z: 24 17.631 2.112 0.607 0.394 0.826 0.391 CB 1.468 24 residues pruned to eliminate duplicates Z: 13 16.065 2.146 0.820 0.440 0.833 0.417 CB 1.516 13 residues pruned to eliminate duplicates Z: 65 48.155 2.191 0.685 0.596 0.969 0.531 CB 1.535 65 residues pruned to eliminate duplicates Z: 20 17.547 2.229 0.540 0.340 0.842 0.421 CB 1.657 20 residues pruned to eliminate duplicates Z: 63 48.063 2.207 0.702 0.591 0.952 0.597 CB 1.565 63 residues pruned to eliminate duplicates Z: 6 2.870 1.980 0.228 0.214 0.600 0.200 CA 1.231 6 residues pruned to eliminate duplicates Z: 34 31.002 2.189 0.606 0.523 0.909 0.606 CA 1.651 23 residues pruned to eliminate duplicates Z: 6 4.109 1.558 0.834 0.439 0.800 0.400 CA 0.856 6 residues pruned to eliminate duplicates Z: 68 41.962 2.111 0.593 0.571 0.955 0.627 CB 1.490 68 residues pruned to eliminate duplicates Z: 53 38.704 2.187 0.457 0.648 0.981 0.731 CA 1.495 53 residues pruned to eliminate duplicates Z: 22 30.390 2.253 0.699 0.703 0.952 0.857 CA 1.512 22 residues pruned to eliminate duplicates Z: 32 33.823 2.216 0.597 0.674 1.000 0.806 CA 1.462 32 residues pruned to eliminate duplicates Z: 50 40.403 2.208 0.506 0.676 0.980 0.673 CA 1.507 50 residues pruned to eliminate duplicates Z: 67 41.346 2.157 0.527 0.578 0.924 0.636 CA 1.551 67 residues pruned to eliminate duplicates Z: 32 29.449 2.185 0.467 0.675 0.903 0.677 CA 1.554 32 residues pruned to eliminate duplicates Z: 52 41.589 2.167 0.576 0.655 0.941 0.627 CA 1.569 52 residues pruned to eliminate duplicates Z: 65 45.796 2.197 0.610 0.583 0.953 0.578 CB 1.567 65 residues pruned to eliminate duplicates Z: 33 36.046 2.219 0.685 0.695 0.938 0.812 CA 1.520 33 residues pruned to eliminate duplicates Z: 33 36.391 2.211 0.656 0.669 1.000 0.719 CA 1.502 33 residues pruned to eliminate duplicates Z: 52 43.503 2.217 0.535 0.653 1.000 0.647 CA 1.553 52 residues pruned to eliminate duplicates Z: 63 44.572 2.174 0.583 0.599 0.968 0.677 CA 1.548 63 residues pruned to eliminate duplicates Z: 66 46.394 2.153 0.608 0.623 0.969 0.692 CB 1.528 66 residues pruned to eliminate duplicates Z: 52 40.502 2.215 0.561 0.629 0.941 0.686 CA 1.544 52 residues pruned to eliminate duplicates Z: 50 38.681 2.140 0.693 0.591 0.898 0.592 CB 1.557 50 residues pruned to eliminate duplicates Z: 30 38.987 2.231 0.623 0.777 1.000 0.690 CA 1.566 30 residues pruned to eliminate duplicates Z: 53 44.241 2.193 0.608 0.658 1.000 0.558 CA 1.502 53 residues pruned to eliminate duplicates Z: 51 47.112 2.214 0.774 0.639 0.960 0.540 CA 1.551 51 residues pruned to eliminate duplicates Z: 63 47.425 2.172 0.732 0.595 0.935 0.548 CA 1.563 63 residues pruned to eliminate duplicates Z: 53 45.676 2.218 0.638 0.638 1.000 0.558 CA 1.533 53 residues pruned to eliminate duplicates Z: 30 40.935 2.230 0.738 0.764 1.000 0.552 CA 1.551 30 residues pruned to eliminate duplicates Z: 65 48.441 2.204 0.676 0.582 0.953 0.516 CA 1.589 65 residues pruned to eliminate duplicates Z: 51 42.274 2.200 0.596 0.628 0.980 0.580 CA 1.541 51 residues pruned to eliminate duplicates Z: 66 45.116 2.172 0.678 0.559 0.938 0.554 CA 1.545 66 residues pruned to eliminate duplicates Z: 54 43.196 2.198 0.700 0.624 0.943 0.566 CA 1.497 54 residues pruned to eliminate duplicates Z: 67 46.755 2.189 0.708 0.572 0.939 0.545 CB 1.529 67 residues pruned to eliminate duplicates Z: 67 46.004 2.166 0.689 0.580 0.939 0.561 CB 1.525 67 residues pruned to eliminate duplicates Z: 56 44.513 2.178 0.665 0.594 0.982 0.509 CB 1.540 56 residues pruned to eliminate duplicates Z: 49 47.439 2.219 0.732 0.666 0.979 0.500 CA 1.561 49 residues pruned to eliminate duplicates Z: 54 45.197 2.202 0.726 0.609 0.962 0.547 CB 1.531 54 residues pruned to eliminate duplicates Z: 25 18.545 2.135 0.720 0.339 0.875 0.542 CB 1.404 25 residues pruned to eliminate duplicates Z: 20 13.570 2.020 0.732 0.285 0.842 0.526 CB 1.345 20 residues pruned to eliminate duplicates Z: 12 9.036 2.132 0.726 0.224 0.727 0.545 CA 1.406 12 residues pruned to eliminate duplicates Z: 9 9.647 2.271 0.563 0.219 0.875 0.500 CA 1.528 9 residues pruned to eliminate duplicates Z: 29 24.454 2.227 0.830 0.328 0.893 0.500 CB 1.534 114 residues pruned to eliminate duplicates Z: 7 8.681 1.996 0.622 0.489 1.000 0.500 CA 1.107 7 residues pruned to eliminate duplicates Z: 23 19.619 2.222 0.689 0.310 0.864 0.409 CB 1.594 23 residues pruned to eliminate duplicates Z: 22 19.003 2.260 0.704 0.316 0.810 0.524 CA 1.630 22 residues pruned to eliminate duplicates Z: 73 45.063 2.209 0.649 0.545 0.903 0.542 CB 1.546 73 residues pruned to eliminate duplicates Z: 22 21.904 2.275 0.775 0.330 0.857 0.524 CA 1.664 22 residues pruned to eliminate duplicates Z: 18 18.069 2.103 0.660 0.443 0.882 0.588 CA 1.508 18 residues pruned to eliminate duplicates Z: 22 23.444 2.256 0.868 0.297 0.905 0.381 CA 1.684 22 residues pruned to eliminate duplicates Z: 21 20.497 2.257 0.877 0.309 0.800 0.400 CA 1.672 21 residues pruned to eliminate duplicates Z: 18 14.671 2.054 0.730 0.294 0.824 0.353 CB 1.532 18 residues pruned to eliminate duplicates Z: 59 39.282 2.147 0.575 0.590 0.931 0.448 CA 1.503 59 residues pruned to eliminate duplicates Z: 15 15.010 2.254 0.489 0.351 0.857 0.429 CA 1.639 15 residues pruned to eliminate duplicates Z: 23 15.331 1.798 0.485 0.420 0.909 0.636 CB 1.465 23 residues pruned to eliminate duplicates Z: 28 17.486 2.099 0.665 0.252 0.815 0.407 CB 1.572 28 residues pruned to eliminate duplicates Z: 15 9.062 2.182 0.356 0.317 0.643 0.286 CB 1.558 15 residues pruned to eliminate duplicates Z: 20 8.570 1.952 0.398 0.212 0.737 0.316 CA 1.373 20 residues pruned to eliminate duplicates Z: 37 19.528 2.069 0.414 0.313 0.833 0.472 CA 1.643 37 residues pruned to eliminate duplicates Z: 13 6.475 1.605 0.283 0.429 0.833 0.417 C 1.172 13 residues pruned to eliminate duplicates Z: 35 23.212 2.039 0.651 0.363 0.853 0.529 CA 1.607 35 residues pruned to eliminate duplicates Z: 30 29.559 2.122 0.386 0.694 0.966 0.655 CA 1.619 30 residues pruned to eliminate duplicates Z: 12 8.977 1.907 0.504 0.400 0.727 0.364 N 1.441 12 residues pruned to eliminate duplicates Z: 14 10.071 1.955 0.418 0.323 0.769 0.385 N 1.592 14 residues pruned to eliminate duplicates Z: 15 10.590 1.818 0.422 0.359 0.857 0.429 CB 1.487 15 residues pruned to eliminate duplicates Z: 26 26.739 2.208 0.450 0.680 0.880 0.680 CB 1.609 26 residues pruned to eliminate duplicates Z: 30 24.434 2.135 0.359 0.705 0.828 0.724 CB 1.568 30 residues pruned to eliminate duplicates Z: 16 10.050 2.003 0.332 0.430 0.800 0.667 CB 1.308 16 residues pruned to eliminate duplicates Z: 29 28.425 2.157 0.490 0.685 0.893 0.679 CA 1.580 29 residues pruned to eliminate duplicates Z: 21 22.097 2.122 0.285 0.683 0.950 0.800 CB 1.611 21 residues pruned to eliminate duplicates Z: 23 25.792 2.192 0.352 0.831 0.909 0.864 CA 1.533 23 residues pruned to eliminate duplicates Z: 20 31.685 2.221 0.517 0.899 1.000 0.842 CB 1.543 20 residues pruned to eliminate duplicates Z: 24 28.706 2.229 0.481 0.704 0.913 0.696 CB 1.649 24 residues pruned to eliminate duplicates Z: 25 26.995 2.210 0.584 0.723 0.792 0.583 CA 1.625 25 residues pruned to eliminate duplicates Z: 30 38.722 2.100 0.658 0.751 1.000 0.621 CB 1.652 30 residues pruned to eliminate duplicates Z: 25 32.589 2.217 0.758 0.694 0.875 0.542 CB 1.633 25 residues pruned to eliminate duplicates Z: 31 35.536 2.076 0.623 0.720 0.967 0.633 CB 1.633 31 residues pruned to eliminate duplicates Z: 29 35.066 2.160 0.785 0.679 0.929 0.536 CB 1.571 29 residues pruned to eliminate duplicates Z: 28 27.119 2.045 0.698 0.665 0.889 0.556 CB 1.452 28 residues pruned to eliminate duplicates Z: 28 33.878 2.193 0.717 0.728 0.889 0.519 CB 1.586 28 residues pruned to eliminate duplicates Z: 29 32.413 2.144 0.850 0.692 0.893 0.607 CB 1.452 29 residues pruned to eliminate duplicates Z: 31 25.535 2.050 0.662 0.597 0.867 0.467 CB 1.439 31 residues pruned to eliminate duplicates Z: 24 39.642 2.220 0.831 0.763 1.000 0.609 CB 1.610 24 residues pruned to eliminate duplicates Z: 17 33.593 2.149 0.927 0.898 0.938 0.438 CB 1.548 17 residues pruned to eliminate duplicates Z: 26 33.043 2.214 0.893 0.681 0.840 0.680 CB 1.590 26 residues pruned to eliminate duplicates Z: 30 32.942 2.194 0.665 0.699 0.897 0.448 CB 1.559 30 residues pruned to eliminate duplicates Z: 56 36.485 2.108 0.680 0.528 0.891 0.527 CB 1.517 56 residues pruned to eliminate duplicates Z: 28 42.533 2.192 0.775 0.789 0.963 0.481 CB 1.695 28 residues pruned to eliminate duplicates Z: 29 14.063 1.908 0.347 0.372 0.929 0.571 CB 1.278 Z: 7 7.599 1.825 0.743 0.303 0.833 0.500 O 1.457 7 residues pruned to eliminate duplicates Z: 38 14.133 1.915 0.230 0.312 0.865 0.405 CB 1.405 35 residues pruned to eliminate duplicates Z: 7 3.246 1.775 0.046 0.330 0.833 0.500 CB 1.031 7 residues pruned to eliminate duplicates Z: 37 14.584 1.940 0.287 0.361 0.889 0.556 CB 1.272 37 residues pruned to eliminate duplicates Z: 8 4.110 1.414 0.567 0.423 0.857 0.714 CA 0.887 8 residues pruned to eliminate duplicates Z: 32 14.656 1.970 0.213 0.374 0.903 0.516 CB 1.395 33 residues pruned to eliminate duplicates Z: 6 2.263 1.514 0.283 0.337 0.800 0.200 CA 0.778 6 residues pruned to eliminate duplicates Z: 38 17.853 1.945 0.281 0.384 0.919 0.486 CB 1.450 36 residues pruned to eliminate duplicates 6 1.988 1.548 0.187 0.282 0.800 0.400 CB 0.774 ? Z: 7 4.444 1.483 0.280 0.375 1.000 0.667 CB 1.092 7 residues pruned to eliminate duplicates Z: 23 7.889 1.873 0.123 0.350 0.818 0.591 CB 1.150 23 residues pruned to eliminate duplicates Z: 16 8.966 1.954 0.148 0.420 0.867 0.533 CB 1.295 16 residues pruned to eliminate duplicates Z: 15 11.810 1.999 0.345 0.427 0.857 0.643 CB 1.479 15 residues pruned to eliminate duplicates Z: 14 10.018 1.949 0.111 0.457 0.923 0.615 CB 1.451 14 residues pruned to eliminate duplicates Z: 18 9.978 1.878 0.449 0.438 0.765 0.412 CA 1.240 18 residues pruned to eliminate duplicates Z: 23 11.514 1.940 0.319 0.356 0.818 0.455 CB 1.369 23 residues pruned to eliminate duplicates Z: 7 3.950 1.709 0.152 0.249 0.833 0.500 CA 1.312 7 residues pruned to eliminate duplicates 589 residues left after pruning, divided into chains as follows: A: 9 B: 7 C: 7 D: 7 E: 11 F: 6 G: 7 H: 13 I: 13 J: 22 K: 15 L: 9 M: 11 N: 21 O: 6 P: 37 Q: 12 R: 9 S: 10 T: 10 U: 73 V: 39 W: 62 X: 109 Y: 28 Z: 36 CC for partial structure against native data = 22.19 % ------------------------------------------------------------------------------ Global autotracing cycle 7 = 0.300, Contrast = 0.404, Connect. = 0.683 for dens.mod. cycle 1 = 0.300, Contrast = 0.467, Connect. = 0.706 for dens.mod. cycle 2 = 0.300, Contrast = 0.543, Connect. = 0.741 for dens.mod. cycle 3 = 0.300, Contrast = 0.550, Connect. = 0.745 for dens.mod. cycle 4 = 0.300, Contrast = 0.557, Connect. = 0.750 for dens.mod. cycle 5 = 0.300, Contrast = 0.561, Connect. = 0.753 for dens.mod. cycle 6 = 0.300, Contrast = 0.565, Connect. = 0.756 for dens.mod. cycle 7 = 0.300, Contrast = 0.567, Connect. = 0.758 for dens.mod. cycle 8 = 0.300, Contrast = 0.569, Connect. = 0.760 for dens.mod. cycle 9 = 0.300, Contrast = 0.569, Connect. = 0.761 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6673 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1260 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 16.859 2.112 0.444 0.857 1.000 0.636 CB 1.228 B: 23 33.134 2.085 0.494 0.909 1.000 0.864 CA 1.609 C: 21 35.281 2.278 0.669 0.910 0.950 0.950 CA 1.549 D: 9 15.135 2.011 0.834 0.865 0.875 0.625 CB 1.215 E: 21 32.023 2.123 0.662 0.880 1.000 0.600 CB 1.471 F: 16 9.182 1.964 0.539 0.363 0.733 0.533 CB 1.240 G: 20 39.413 2.290 0.751 0.913 1.000 0.895 CB 1.595 21 residues pruned to eliminate duplicates H: 8 5.359 1.741 0.512 0.395 1.000 0.714 CB 0.860 I: 21 43.775 2.295 0.750 0.926 1.000 0.800 CB 1.710 20 residues pruned to eliminate duplicates J: 21 19.090 1.991 0.286 0.857 0.900 0.900 CB 1.366 21 residues pruned to eliminate duplicates K: 11 14.726 1.892 0.671 0.531 1.000 0.800 CA 1.429 L: 16 24.839 2.258 0.381 0.890 1.000 0.733 CB 1.480 16 residues pruned to eliminate duplicates M: 20 29.781 2.190 0.492 0.907 0.947 0.684 CB 1.568 20 residues pruned to eliminate duplicates N: 21 16.945 1.952 0.785 0.312 0.850 0.450 CA 1.576 O: 21 37.340 2.310 0.606 0.911 1.000 0.750 CA 1.596 21 residues pruned to eliminate duplicates P: 22 37.068 2.234 0.714 0.895 1.000 0.762 CA 1.514 22 residues pruned to eliminate duplicates Q: 22 30.637 2.118 0.358 0.927 1.000 0.857 CB 1.629 22 residues pruned to eliminate duplicates R: 20 40.517 2.327 0.738 0.898 1.000 0.579 CB 1.644 20 residues pruned to eliminate duplicates S: 7 4.935 1.811 0.118 0.429 1.000 0.500 CB 1.071 8 residues pruned to eliminate duplicates T: 8 17.809 2.059 0.523 0.705 1.000 0.571 CA 1.782 9 residues pruned to eliminate duplicates U: 20 24.457 2.037 0.405 0.875 0.947 0.895 CA 1.505 20 residues pruned to eliminate duplicates V: 21 37.905 2.273 0.669 0.903 1.000 0.850 CA 1.592 21 residues pruned to eliminate duplicates W: 23 32.178 2.154 0.590 0.856 0.955 0.455 CB 1.547 23 residues pruned to eliminate duplicates X: 21 35.011 2.230 0.552 0.905 1.000 0.750 CA 1.610 21 residues pruned to eliminate duplicates Y: 11 15.882 2.017 0.177 0.872 1.000 0.800 CB 1.542 10 residues pruned to eliminate duplicates Z: 37 21.761 2.026 0.514 0.464 0.861 0.611 CA 1.424 Z: 11 10.313 1.865 0.525 0.471 0.900 0.600 N 1.312 11 residues pruned to eliminate duplicates Z: 20 46.994 2.314 1.028 0.928 1.000 0.632 CB 1.608 21 residues pruned to eliminate duplicates Z: 28 25.272 2.078 0.797 0.491 0.889 0.519 CA 1.478 Z: 64 36.860 2.069 0.499 0.590 0.921 0.619 CA 1.492 53 residues pruned to eliminate duplicates Z: 6 6.217 1.857 0.016 0.765 0.800 0.600 CB 1.455 Z: 23 39.236 2.088 0.810 0.924 1.000 0.955 CA 1.554 23 residues pruned to eliminate duplicates Z: 22 33.211 2.091 0.592 0.914 1.000 0.952 CB 1.540 22 residues pruned to eliminate duplicates Z: 12 18.164 1.991 0.529 0.850 1.000 0.727 CB 1.333 13 residues pruned to eliminate duplicates Z: 42 25.140 1.980 0.554 0.440 0.902 0.585 CA 1.503 37 residues pruned to eliminate duplicates Z: 13 31.086 2.265 0.850 0.917 1.000 1.000 CA 1.512 13 residues pruned to eliminate duplicates Z: 8 7.755 1.854 0.532 0.450 0.857 0.429 CB 1.267 Z: 21 34.021 2.170 0.428 0.926 1.000 0.900 CA 1.722 22 residues pruned to eliminate duplicates Z: 21 37.473 2.176 0.761 0.918 1.000 0.550 CB 1.542 21 residues pruned to eliminate duplicates Z: 27 14.148 1.945 0.390 0.412 0.923 0.538 CB 1.219 Z: 21 45.412 2.329 1.005 0.938 0.950 0.700 CB 1.592 21 residues pruned to eliminate duplicates Z: 14 18.439 1.928 0.466 0.681 1.000 0.538 CB 1.532 14 residues pruned to eliminate duplicates Z: 49 20.864 1.990 0.478 0.400 0.854 0.417 CB 1.332 6 residues pruned to eliminate duplicates Z: 31 27.595 2.058 0.621 0.565 0.967 0.633 CA 1.466 31 residues pruned to eliminate duplicates Z: 6 13.357 1.994 0.869 0.633 1.000 0.800 CA 1.416 Z: 8 8.812 1.792 0.181 0.628 1.000 0.857 CA 1.395 Z: 12 13.068 2.005 0.335 0.796 0.818 0.727 CB 1.387 Z: 22 28.927 2.099 0.355 0.938 1.000 1.000 CA 1.543 22 residues pruned to eliminate duplicates Z: 8 4.446 1.726 0.320 0.206 0.857 0.429 CA 1.218 Z: 21 33.527 2.169 0.448 0.910 1.000 0.950 CB 1.693 21 residues pruned to eliminate duplicates Z: 16 14.694 1.924 0.359 0.517 0.933 0.533 CA 1.528 18 residues pruned to eliminate duplicates Z: 12 14.272 1.765 0.303 0.830 1.000 0.636 CB 1.406 12 residues pruned to eliminate duplicates Z: 7 5.301 1.953 0.229 0.445 0.667 0.500 CA 1.430 7 residues pruned to eliminate duplicates Z: 6 5.982 1.638 0.151 0.630 1.000 0.600 N 1.255 6 residues pruned to eliminate duplicates Z: 8 12.184 2.016 0.486 0.862 0.857 0.571 CA 1.317 7 residues pruned to eliminate duplicates Z: 33 24.158 2.032 0.565 0.449 0.875 0.438 CB 1.618 23 residues pruned to eliminate duplicates Z: 61 41.135 2.132 0.581 0.608 0.933 0.517 CB 1.523 51 residues pruned to eliminate duplicates Z: 32 22.582 1.988 0.558 0.547 0.903 0.581 CB 1.386 32 residues pruned to eliminate duplicates Z: 22 37.108 2.136 0.718 0.899 1.000 0.667 CB 1.578 22 residues pruned to eliminate duplicates Z: 21 34.212 2.144 0.561 0.920 1.000 0.850 CB 1.609 21 residues pruned to eliminate duplicates Z: 22 31.902 2.209 0.587 0.854 0.952 0.714 CB 1.541 22 residues pruned to eliminate duplicates Z: 8 9.999 1.966 0.681 0.464 0.857 0.429 CB 1.384 8 residues pruned to eliminate duplicates Z: 31 26.310 2.114 0.455 0.523 0.967 0.767 CB 1.579 31 residues pruned to eliminate duplicates Z: 56 40.315 2.133 0.616 0.618 0.927 0.673 CA 1.522 56 residues pruned to eliminate duplicates Z: 16 10.809 1.972 0.385 0.475 0.800 0.400 CB 1.310 16 residues pruned to eliminate duplicates Z: 10 16.645 2.100 0.819 0.617 0.778 0.778 CB 1.671 10 residues pruned to eliminate duplicates Z: 7 6.328 1.704 0.202 0.596 1.000 0.667 CB 1.150 Z: 8 5.086 2.049 0.175 0.616 0.571 0.571 CB 1.253 Z: 21 14.692 2.126 0.508 0.426 0.800 0.600 CB 1.384 Z: 14 8.244 1.807 0.611 0.277 0.846 0.385 CB 1.194 Z: 21 41.993 2.273 0.888 0.881 0.950 0.500 CB 1.669 21 residues pruned to eliminate duplicates Z: 18 31.130 2.273 0.788 0.879 0.882 0.412 CB 1.527 18 residues pruned to eliminate duplicates Z: 22 19.660 2.085 0.680 0.405 0.952 0.476 CB 1.422 22 residues pruned to eliminate duplicates Z: 42 33.175 2.085 0.553 0.562 0.951 0.585 CA 1.584 43 residues pruned to eliminate duplicates Z: 21 34.379 2.233 0.594 0.912 1.000 0.850 CB 1.530 20 residues pruned to eliminate duplicates Z: 18 11.673 2.047 0.604 0.215 0.882 0.353 CB 1.366 14 residues pruned to eliminate duplicates Z: 33 14.368 1.863 0.560 0.449 0.812 0.500 CB 1.133 27 residues pruned to eliminate duplicates Z: 11 16.524 2.112 0.483 0.873 0.900 0.800 CA 1.350 11 residues pruned to eliminate duplicates Z: 20 15.787 1.847 0.580 0.613 0.947 0.632 CB 1.178 20 residues pruned to eliminate duplicates Z: 14 24.688 2.087 0.765 0.845 0.923 0.615 CB 1.497 14 residues pruned to eliminate duplicates Z: 8 10.383 1.822 0.605 0.612 0.857 0.857 CA 1.407 Z: 30 26.504 2.154 0.496 0.518 0.966 0.724 CA 1.554 30 residues pruned to eliminate duplicates Z: 6 5.619 1.917 0.250 0.614 0.800 0.800 CA 1.177 Z: 20 22.410 2.041 0.643 0.920 0.947 0.737 CA 1.140 3 residues pruned to eliminate duplicates Z: 8 14.399 2.124 0.362 0.839 1.000 0.571 CB 1.405 8 residues pruned to eliminate duplicates Z: 42 33.738 2.104 0.618 0.515 0.902 0.537 CA 1.690 42 residues pruned to eliminate duplicates Z: 22 16.968 2.154 0.632 0.342 0.810 0.381 CB 1.545 25 residues pruned to eliminate duplicates Z: 7 10.400 1.941 0.748 0.517 1.000 0.667 CB 1.231 8 residues pruned to eliminate duplicates Z: 61 38.713 2.106 0.565 0.594 0.917 0.700 CA 1.513 60 residues pruned to eliminate duplicates Z: 10 13.056 1.767 0.638 0.795 0.889 0.667 CA 1.306 12 residues pruned to eliminate duplicates Z: 8 15.837 1.903 0.804 0.582 1.000 0.857 CB 1.612 Z: 10 11.379 1.772 0.423 0.464 1.000 0.556 CB 1.561 Z: 13 21.015 1.928 0.804 0.914 0.917 0.750 CA 1.346 13 residues pruned to eliminate duplicates Z: 18 22.017 1.963 0.683 0.826 0.882 0.588 CB 1.381 18 residues pruned to eliminate duplicates Z: 32 24.580 2.023 0.614 0.466 0.935 0.710 CA 1.497 32 residues pruned to eliminate duplicates Z: 6 6.025 1.941 0.073 0.634 1.000 0.600 CB 1.142 6 residues pruned to eliminate duplicates Z: 8 12.270 2.081 0.172 0.569 1.000 0.857 CA 1.778 8 residues pruned to eliminate duplicates Z: 7 8.136 1.524 0.296 0.851 1.000 0.833 CB 1.245 7 residues pruned to eliminate duplicates Z: 10 14.981 2.149 0.329 0.858 0.889 0.778 CB 1.449 10 residues pruned to eliminate duplicates Z: 22 37.368 2.147 0.635 0.915 1.000 0.714 CB 1.641 22 residues pruned to eliminate duplicates Z: 8 12.334 2.026 0.766 0.836 0.714 0.429 CA 1.365 9 residues pruned to eliminate duplicates Z: 6 8.332 1.700 0.126 0.844 1.000 0.800 N 1.448 6 residues pruned to eliminate duplicates Z: 21 28.509 2.207 0.428 0.903 0.950 0.800 CB 1.518 21 residues pruned to eliminate duplicates Z: 11 4.220 1.903 0.018 0.339 0.700 0.600 CB 1.172 7 residues pruned to eliminate duplicates Z: 36 21.232 1.980 0.502 0.423 0.914 0.657 CB 1.431 36 residues pruned to eliminate duplicates Z: 9 6.618 1.754 0.732 0.406 0.750 0.500 CB 1.133 Z: 11 14.332 2.172 0.532 0.467 1.000 0.600 CA 1.408 11 residues pruned to eliminate duplicates Z: 13 16.627 1.775 0.780 0.813 1.000 0.667 CB 1.157 10 residues pruned to eliminate duplicates Z: 11 7.541 2.019 0.097 0.370 1.000 0.500 CB 1.238 12 residues pruned to eliminate duplicates Z: 6 5.958 1.424 0.235 0.829 1.000 0.600 N 1.140 Z: 10 16.521 2.166 0.648 0.826 1.000 0.333 CB 1.164 10 residues pruned to eliminate duplicates Z: 34 33.629 2.110 0.631 0.686 0.970 0.818 CB 1.480 34 residues pruned to eliminate duplicates Z: 14 16.225 1.979 0.494 0.807 0.846 0.538 CB 1.377 14 residues pruned to eliminate duplicates Z: 25 11.036 1.931 0.243 0.294 0.833 0.417 CB 1.418 8 residues pruned to eliminate duplicates Z: 22 31.913 2.087 0.659 0.909 1.000 0.524 CB 1.428 22 residues pruned to eliminate duplicates Z: 10 8.804 1.963 0.381 0.384 0.778 0.556 CA 1.575 10 residues pruned to eliminate duplicates Z: 12 12.880 1.902 0.445 0.454 1.000 0.727 CA 1.481 10 residues pruned to eliminate duplicates Z: 6 8.126 2.039 0.283 0.767 1.000 0.600 CB 1.096 5 residues pruned to eliminate duplicates Z: 13 14.857 1.948 0.388 0.806 1.000 0.667 CB 1.215 13 residues pruned to eliminate duplicates Z: 36 22.156 1.967 0.637 0.395 0.886 0.629 CA 1.468 36 residues pruned to eliminate duplicates Z: 11 20.922 2.100 0.652 0.911 0.900 0.300 CA 1.501 12 residues pruned to eliminate duplicates Z: 21 38.381 2.259 0.694 0.911 1.000 0.800 CA 1.589 21 residues pruned to eliminate duplicates Z: 16 16.202 1.816 0.515 0.804 1.000 0.600 CA 1.166 16 residues pruned to eliminate duplicates Z: 19 21.018 2.057 0.599 0.866 0.833 0.500 CB 1.323 19 residues pruned to eliminate duplicates Z: 22 37.981 2.184 0.833 0.916 0.952 0.667 CB 1.536 22 residues pruned to eliminate duplicates Z: 8 4.577 1.834 -0.272 0.715 0.857 0.714 CB 1.245 Z: 25 11.112 1.931 0.200 0.308 0.917 0.417 CB 1.323 Z: 11 6.271 2.013 0.290 0.474 0.700 0.500 CB 1.121 11 residues pruned to eliminate duplicates Z: 54 42.263 2.179 0.602 0.653 0.943 0.604 CB 1.528 54 residues pruned to eliminate duplicates Z: 20 27.077 2.053 0.497 0.889 0.947 0.842 CB 1.535 20 residues pruned to eliminate duplicates Z: 19 17.465 2.037 0.039 0.896 0.944 0.889 CB 1.475 19 residues pruned to eliminate duplicates Z: 22 31.857 2.193 0.478 0.882 1.000 0.810 CB 1.552 22 residues pruned to eliminate duplicates Z: 16 18.408 2.022 0.494 0.854 0.933 0.600 CA 1.245 16 residues pruned to eliminate duplicates Z: 14 9.463 1.905 0.317 0.375 0.846 0.385 CB 1.413 14 residues pruned to eliminate duplicates Z: 10 7.371 1.720 0.703 0.359 0.778 0.444 CB 1.255 10 residues pruned to eliminate duplicates Z: 21 12.050 2.035 0.300 0.494 0.850 0.600 CB 1.206 21 residues pruned to eliminate duplicates Z: 20 25.931 2.040 0.692 0.905 1.000 0.895 CA 1.227 20 residues pruned to eliminate duplicates Z: 33 24.071 2.065 0.576 0.444 0.875 0.531 CB 1.583 33 residues pruned to eliminate duplicates Z: 20 40.637 2.290 0.880 0.914 1.000 0.842 CA 1.531 20 residues pruned to eliminate duplicates Z: 6 7.511 1.570 0.938 0.536 1.000 0.600 C 1.066 Z: 9 12.327 1.937 0.592 0.843 0.875 0.625 CA 1.202 9 residues pruned to eliminate duplicates Z: 44 43.319 2.203 0.751 0.702 0.953 0.512 CB 1.494 44 residues pruned to eliminate duplicates Z: 18 19.706 1.927 0.642 0.852 0.824 0.706 CA 1.356 18 residues pruned to eliminate duplicates Z: 6 5.252 2.004 -0.063 0.591 0.800 0.600 CA 1.432 6 residues pruned to eliminate duplicates Z: 10 17.157 2.145 0.388 0.874 1.000 0.778 CB 1.397 10 residues pruned to eliminate duplicates Z: 23 19.832 1.995 0.713 0.426 0.909 0.591 CA 1.469 23 residues pruned to eliminate duplicates Z: 15 8.947 1.986 0.428 0.370 0.786 0.286 CB 1.234 16 residues pruned to eliminate duplicates Z: 28 21.522 2.069 0.857 0.333 0.852 0.407 CB 1.519 22 residues pruned to eliminate duplicates Z: 17 8.163 1.954 -0.010 0.371 0.875 0.438 CB 1.384 5 residues pruned to eliminate duplicates Z: 13 16.235 2.056 0.593 0.538 0.917 0.583 CB 1.504 13 residues pruned to eliminate duplicates Z: 16 6.656 1.978 0.287 0.361 0.733 0.533 CB 1.069 16 residues pruned to eliminate duplicates Z: 8 12.486 1.772 0.636 0.530 1.000 0.571 C 1.580 Z: 25 21.211 2.011 0.564 0.515 0.917 0.708 CA 1.479 25 residues pruned to eliminate duplicates Z: 21 16.359 2.171 0.205 0.450 1.000 0.550 CB 1.471 21 residues pruned to eliminate duplicates Z: 13 11.354 1.853 0.330 0.470 0.917 0.417 CA 1.496 12 residues pruned to eliminate duplicates Z: 14 9.219 1.757 0.400 0.491 0.769 0.462 CA 1.363 14 residues pruned to eliminate duplicates Z: 21 47.333 2.314 0.977 0.927 1.000 0.600 CB 1.621 21 residues pruned to eliminate duplicates Z: 8 4.335 1.682 0.100 0.413 0.714 0.429 N 1.358 8 residues pruned to eliminate duplicates Z: 39 21.641 2.038 0.414 0.447 0.868 0.474 CA 1.482 39 residues pruned to eliminate duplicates Z: 18 8.299 1.712 0.534 0.287 0.706 0.353 CA 1.379 Z: 8 3.963 1.742 -0.035 0.578 1.000 0.571 CB 0.827 Z: 9 10.518 1.852 0.724 0.524 1.000 0.625 CB 1.137 9 residues pruned to eliminate duplicates Z: 6 2.060 1.574 0.259 0.430 0.800 0.200 CB 0.624 4 residues pruned to eliminate duplicates Z: 11 10.289 1.836 0.428 0.795 0.900 0.500 CB 1.064 11 residues pruned to eliminate duplicates Z: 37 27.616 2.073 0.402 0.544 0.972 0.694 CA 1.559 37 residues pruned to eliminate duplicates Z: 6 4.731 1.898 -0.373 0.610 1.000 0.400 C 1.601 Z: 19 7.209 1.829 0.267 0.325 0.722 0.444 CB 1.230 17 residues pruned to eliminate duplicates Z: 6 4.135 1.824 -0.090 0.493 1.000 0.400 CB 1.122 3 residues pruned to eliminate duplicates Z: 22 33.350 2.134 0.802 0.864 1.000 0.714 CB 1.388 22 residues pruned to eliminate duplicates Z: 10 6.689 1.774 0.514 0.529 0.778 0.556 CB 1.038 10 residues pruned to eliminate duplicates Z: 20 28.698 2.195 0.453 0.940 1.000 0.947 CB 1.434 20 residues pruned to eliminate duplicates Z: 53 43.173 2.188 0.654 0.639 0.942 0.538 CA 1.542 53 residues pruned to eliminate duplicates Z: 12 9.062 1.774 0.406 0.461 0.818 0.545 CA 1.393 12 residues pruned to eliminate duplicates Z: 8 9.117 1.839 0.418 0.617 0.857 0.429 CB 1.381 8 residues pruned to eliminate duplicates Z: 11 12.385 1.902 0.502 0.560 0.900 0.600 CB 1.437 11 residues pruned to eliminate duplicates Z: 42 31.940 2.085 0.572 0.542 0.927 0.585 CB 1.576 42 residues pruned to eliminate duplicates Z: 9 7.602 1.773 0.204 0.602 1.000 0.500 C 1.142 Z: 40 21.857 1.955 0.465 0.448 0.897 0.564 CA 1.437 40 residues pruned to eliminate duplicates Z: 37 16.515 1.941 0.300 0.349 0.889 0.472 CB 1.444 36 residues pruned to eliminate duplicates Z: 8 12.724 1.852 1.231 0.677 0.857 0.857 CB 1.154 8 residues pruned to eliminate duplicates Z: 9 14.884 1.880 0.828 0.881 0.875 0.375 CA 1.267 9 residues pruned to eliminate duplicates Z: 6 5.689 1.323 0.932 0.694 1.000 0.400 CA 0.834 5 residues pruned to eliminate duplicates Z: 35 12.771 1.928 0.221 0.335 0.824 0.441 CB 1.353 35 residues pruned to eliminate duplicates Z: 8 8.942 1.992 0.489 0.406 0.857 0.429 CB 1.467 7 residues pruned to eliminate duplicates Z: 15 14.316 1.886 0.638 0.518 0.857 0.500 CA 1.420 12 residues pruned to eliminate duplicates Z: 10 9.667 1.838 0.499 0.452 0.889 0.556 CB 1.381 10 residues pruned to eliminate duplicates Z: 20 29.510 2.154 0.475 0.898 1.000 0.842 CB 1.524 20 residues pruned to eliminate duplicates Z: 8 5.992 1.698 0.353 0.418 0.857 0.571 CB 1.253 8 residues pruned to eliminate duplicates Z: 24 12.146 1.947 0.409 0.461 0.826 0.565 CB 1.163 24 residues pruned to eliminate duplicates Z: 7 4.010 1.785 0.191 0.424 0.833 0.500 CA 1.000 8 residues pruned to eliminate duplicates Z: 7 10.551 1.965 0.434 0.637 0.833 0.833 N 1.614 7 residues pruned to eliminate duplicates Z: 9 2.493 1.687 -0.004 0.218 0.750 0.375 CB 0.974 Z: 35 17.951 2.032 0.405 0.463 0.882 0.618 CB 1.268 35 residues pruned to eliminate duplicates Z: 10 9.031 1.887 0.345 0.393 0.889 0.444 CA 1.494 5 residues pruned to eliminate duplicates Z: 20 39.394 2.327 0.708 0.891 1.000 0.474 CB 1.635 20 residues pruned to eliminate duplicates Z: 13 9.910 1.689 0.644 0.377 0.833 0.500 C 1.409 22 residues pruned to eliminate duplicates Z: 10 12.257 1.982 0.532 0.456 1.000 0.444 CB 1.408 Z: 9 11.926 2.033 0.713 0.587 1.000 0.750 CB 1.113 9 residues pruned to eliminate duplicates Z: 17 13.337 1.945 0.482 0.502 0.812 0.625 CB 1.421 17 residues pruned to eliminate duplicates Z: 62 36.377 2.115 0.402 0.567 0.934 0.607 CA 1.575 62 residues pruned to eliminate duplicates Z: 26 24.126 2.103 0.649 0.608 0.880 0.680 CA 1.426 25 residues pruned to eliminate duplicates Z: 21 38.198 2.189 0.855 0.918 0.950 0.850 CB 1.562 21 residues pruned to eliminate duplicates Z: 20 9.720 1.804 0.306 0.472 0.789 0.368 CB 1.233 23 residues pruned to eliminate duplicates Z: 59 36.326 2.117 0.589 0.550 0.931 0.621 CB 1.450 46 residues pruned to eliminate duplicates Z: 19 26.795 2.137 0.334 0.906 1.000 0.833 CB 1.575 19 residues pruned to eliminate duplicates Z: 16 6.317 1.889 0.328 0.382 0.667 0.533 CB 1.106 16 residues pruned to eliminate duplicates Z: 36 15.612 1.959 0.266 0.329 0.914 0.400 CB 1.404 38 residues pruned to eliminate duplicates Z: 19 17.673 1.867 0.691 0.506 0.889 0.556 CA 1.476 25 residues pruned to eliminate duplicates Z: 12 10.306 1.752 0.091 0.869 0.909 0.818 CA 1.305 12 residues pruned to eliminate duplicates Z: 25 19.642 1.943 0.672 0.530 0.833 0.667 CB 1.438 25 residues pruned to eliminate duplicates Z: 23 25.215 2.061 0.281 0.904 1.000 0.818 CA 1.450 23 residues pruned to eliminate duplicates Z: 11 5.534 1.723 0.109 0.671 0.800 0.500 CB 0.978 8 residues pruned to eliminate duplicates Z: 21 27.507 2.152 0.526 0.915 0.900 0.700 CB 1.471 21 residues pruned to eliminate duplicates Z: 11 10.308 1.995 0.750 0.473 0.800 0.700 CB 1.199 11 residues pruned to eliminate duplicates Z: 7 7.819 1.793 0.835 0.813 1.000 0.833 CB 0.739 Z: 6 3.648 1.393 0.768 0.428 0.800 0.600 CB 0.892 Z: 15 11.142 1.883 0.515 0.529 0.786 0.571 CB 1.291 15 residues pruned to eliminate duplicates Z: 12 8.712 2.023 0.189 0.449 0.909 0.545 CB 1.265 12 residues pruned to eliminate duplicates Z: 7 4.167 1.605 0.218 0.361 0.833 0.833 O 1.212 Z: 7 12.995 1.806 1.240 0.667 1.000 0.500 CB 1.124 7 residues pruned to eliminate duplicates Z: 9 3.970 1.722 0.290 0.482 0.750 0.500 CB 0.858 9 residues pruned to eliminate duplicates Z: 23 43.388 2.170 0.920 0.849 1.000 0.500 CB 1.645 23 residues pruned to eliminate duplicates Z: 42 24.873 2.022 0.382 0.620 0.927 0.707 CA 1.339 42 residues pruned to eliminate duplicates Z: 49 28.044 1.965 0.471 0.460 0.917 0.562 CB 1.591 49 residues pruned to eliminate duplicates Z: 9 9.084 1.850 0.758 0.559 0.750 0.500 CB 1.244 9 residues pruned to eliminate duplicates Z: 47 31.218 2.118 0.467 0.602 0.957 0.739 CA 1.405 47 residues pruned to eliminate duplicates Z: 20 35.613 2.279 0.877 0.896 0.895 0.789 CA 1.529 20 residues pruned to eliminate duplicates Z: 19 13.355 2.004 0.684 0.390 0.889 0.556 CB 1.179 10 residues pruned to eliminate duplicates Z: 11 9.158 1.956 0.374 0.445 0.900 0.500 CB 1.267 11 residues pruned to eliminate duplicates Z: 30 23.322 2.086 0.436 0.510 0.897 0.552 CA 1.597 30 residues pruned to eliminate duplicates Z: 23 18.611 2.142 0.699 0.403 0.773 0.545 CB 1.562 23 residues pruned to eliminate duplicates Z: 22 36.542 2.146 0.623 0.918 1.000 0.714 CB 1.615 22 residues pruned to eliminate duplicates Z: 17 9.880 1.914 0.556 0.336 0.812 0.562 CB 1.220 17 residues pruned to eliminate duplicates Z: 22 16.445 2.098 0.382 0.502 0.905 0.714 CB 1.366 22 residues pruned to eliminate duplicates Z: 15 6.723 1.670 0.341 0.413 0.857 0.571 CB 1.025 6 residues pruned to eliminate duplicates Z: 18 30.291 2.167 0.735 0.929 0.941 0.294 CB 1.453 18 residues pruned to eliminate duplicates Z: 35 20.568 2.067 0.461 0.491 0.882 0.559 CA 1.336 35 residues pruned to eliminate duplicates Z: 7 8.793 1.625 0.882 0.739 0.833 0.833 CA 1.137 7 residues pruned to eliminate duplicates Z: 20 12.705 1.806 0.468 0.393 0.895 0.579 CB 1.377 20 residues pruned to eliminate duplicates Z: 22 9.716 1.708 0.314 0.405 0.857 0.524 CB 1.219 12 residues pruned to eliminate duplicates Z: 18 9.369 1.980 0.094 0.333 0.882 0.529 CB 1.427 18 residues pruned to eliminate duplicates Z: 12 14.640 1.892 0.192 0.897 1.000 0.909 CB 1.401 11 residues pruned to eliminate duplicates Z: 11 10.090 1.886 0.438 0.576 0.900 0.600 CA 1.215 11 residues pruned to eliminate duplicates Z: 8 7.686 1.730 0.602 0.576 0.714 0.714 CA 1.365 8 residues pruned to eliminate duplicates Z: 41 22.571 1.997 0.392 0.438 0.925 0.625 CA 1.479 41 residues pruned to eliminate duplicates Z: 21 30.764 2.248 0.498 0.900 0.900 0.500 CB 1.621 21 residues pruned to eliminate duplicates Z: 10 11.353 1.749 0.815 0.814 0.778 0.444 CA 1.166 10 residues pruned to eliminate duplicates Z: 6 4.440 1.686 0.401 0.540 0.600 0.400 CB 1.347 6 residues pruned to eliminate duplicates Z: 39 25.651 1.987 0.520 0.473 0.947 0.605 CA 1.495 39 residues pruned to eliminate duplicates Z: 10 5.377 1.608 0.286 0.429 0.889 0.667 N 1.049 Z: 7 4.033 1.764 -0.163 0.386 0.833 0.333 C 1.510 6 residues pruned to eliminate duplicates Z: 12 9.584 1.900 0.533 0.511 0.909 0.727 CA 1.080 12 residues pruned to eliminate duplicates 6 1.030 1.548 0.175 0.298 0.600 0.600 CB 0.529 ? Z: 8 12.069 1.979 0.420 0.466 1.000 0.857 CA 1.682 8 residues pruned to eliminate duplicates Z: 15 14.328 2.095 0.196 0.841 0.857 0.571 CB 1.330 15 residues pruned to eliminate duplicates Z: 11 6.866 1.727 0.345 0.395 1.000 0.500 CB 1.045 Z: 7 5.261 1.700 0.159 0.519 0.833 0.500 CA 1.284 7 residues pruned to eliminate duplicates Z: 16 14.591 1.936 0.625 0.469 1.000 0.600 CB 1.236 16 residues pruned to eliminate duplicates Z: 6 2.009 1.381 0.186 0.606 0.600 0.600 CA 0.826 Z: 11 8.508 1.691 0.591 0.618 1.000 0.800 CB 0.895 7 residues pruned to eliminate duplicates Z: 16 29.331 2.119 1.000 0.727 1.000 0.400 CB 1.456 16 residues pruned to eliminate duplicates Z: 15 9.326 1.960 0.432 0.395 0.786 0.500 CB 1.263 15 residues pruned to eliminate duplicates Z: 8 12.856 1.962 0.620 0.648 0.857 0.857 CA 1.554 8 residues pruned to eliminate duplicates Z: 21 17.284 2.101 0.505 0.481 0.950 0.650 CA 1.311 21 residues pruned to eliminate duplicates Z: 13 7.662 1.759 0.310 0.343 0.833 0.583 CB 1.366 13 residues pruned to eliminate duplicates Z: 21 24.547 2.021 0.603 0.911 0.900 0.750 CA 1.334 21 residues pruned to eliminate duplicates Z: 23 23.176 2.055 0.301 0.838 0.955 0.545 CB 1.447 23 residues pruned to eliminate duplicates Z: 20 20.861 2.024 0.532 0.911 0.947 0.632 CA 1.154 20 residues pruned to eliminate duplicates Z: 8 5.885 1.975 0.524 0.229 0.857 0.429 N 1.183 6 residues pruned to eliminate duplicates 6 1.872 1.394 0.114 0.421 0.600 0.400 N 0.975 ? Z: 6 3.228 1.672 0.203 0.430 0.600 0.600 N 1.285 6 residues pruned to eliminate duplicates Z: 12 4.047 1.543 0.113 0.461 0.818 0.455 CB 0.904 20 residues pruned to eliminate duplicates Z: 9 9.276 1.796 0.467 0.756 0.875 0.250 CA 1.132 9 residues pruned to eliminate duplicates Z: 13 13.378 2.041 0.781 0.436 0.833 0.583 CA 1.362 13 residues pruned to eliminate duplicates Z: 73 50.858 2.179 0.770 0.551 0.944 0.542 CB 1.565 93 residues pruned to eliminate duplicates Z: 24 16.889 1.858 0.604 0.465 0.870 0.609 CB 1.408 24 residues pruned to eliminate duplicates Z: 22 8.349 1.752 0.388 0.317 0.762 0.381 CB 1.204 22 residues pruned to eliminate duplicates 7 1.857 1.491 0.191 0.364 0.667 0.667 CB 0.742 ? Z: 22 30.196 2.136 0.741 0.910 0.810 0.381 CB 1.553 22 residues pruned to eliminate duplicates Z: 9 14.176 1.892 0.752 0.597 0.875 0.875 CB 1.575 8 residues pruned to eliminate duplicates Z: 9 6.621 1.862 0.089 0.580 0.875 0.500 CB 1.221 9 residues pruned to eliminate duplicates Z: 24 30.594 2.006 0.429 0.916 1.000 0.957 CA 1.572 24 residues pruned to eliminate duplicates Z: 12 12.117 1.927 0.459 0.450 0.909 0.636 CA 1.505 12 residues pruned to eliminate duplicates Z: 6 5.064 1.524 0.242 0.761 1.000 1.000 CA 0.948 6 residues pruned to eliminate duplicates Z: 9 8.775 1.933 0.552 0.443 1.000 0.875 CB 1.097 Z: 12 9.426 1.840 0.235 0.466 0.909 0.727 N 1.423 3 residues pruned to eliminate duplicates Z: 28 13.171 2.015 0.380 0.352 0.815 0.444 CB 1.314 38 residues pruned to eliminate duplicates Z: 11 3.655 1.717 0.090 0.250 0.800 0.500 CB 1.030 Z: 8 4.236 1.659 0.398 0.428 1.000 0.714 CB 0.743 7 residues pruned to eliminate duplicates Z: 30 18.717 1.895 0.636 0.339 0.862 0.483 CB 1.549 28 residues pruned to eliminate duplicates Z: 6 4.501 1.672 -0.003 0.601 1.000 0.600 CA 1.097 Z: 6 8.363 2.025 0.777 0.776 0.600 0.600 CA 1.357 6 residues pruned to eliminate duplicates Z: 11 6.872 1.737 0.363 0.462 0.900 0.500 CB 1.060 10 residues pruned to eliminate duplicates Z: 6 5.164 1.474 0.425 0.567 1.000 0.600 CB 1.030 8 residues pruned to eliminate duplicates Z: 15 8.592 1.499 0.183 0.791 0.929 0.643 CA 1.081 14 residues pruned to eliminate duplicates Z: 10 15.701 1.922 0.538 0.900 1.000 1.000 CB 1.264 10 residues pruned to eliminate duplicates Z: 6 8.278 1.989 0.494 0.678 0.800 0.800 CB 1.322 7 residues pruned to eliminate duplicates Z: 8 5.524 1.781 -0.039 0.413 0.857 0.429 CA 1.558 8 residues pruned to eliminate duplicates Z: 13 17.378 1.933 0.564 0.789 0.917 0.667 CA 1.405 13 residues pruned to eliminate duplicates Z: 7 2.056 1.588 -0.084 0.357 1.000 0.833 CB 0.673 Z: 9 10.823 1.755 0.525 0.523 1.000 0.750 N 1.398 9 residues pruned to eliminate duplicates Z: 35 15.508 1.946 0.244 0.376 0.882 0.471 CB 1.421 35 residues pruned to eliminate duplicates Z: 11 12.701 1.931 0.811 0.631 1.000 0.800 CB 1.015 11 residues pruned to eliminate duplicates Z: 29 33.938 2.136 0.744 0.639 0.964 0.607 CA 1.568 29 residues pruned to eliminate duplicates Z: 18 13.662 1.863 0.453 0.477 0.824 0.412 CB 1.523 18 residues pruned to eliminate duplicates Z: 14 12.628 1.995 0.539 0.505 0.923 0.615 CB 1.230 14 residues pruned to eliminate duplicates Z: 16 12.761 1.830 0.596 0.520 0.800 0.400 CA 1.382 16 residues pruned to eliminate duplicates Z: 7 6.224 1.825 0.149 0.675 0.833 0.500 CB 1.237 7 residues pruned to eliminate duplicates Z: 13 8.048 1.647 0.345 0.493 0.833 0.500 CA 1.267 Z: 14 8.752 1.697 0.268 0.473 0.923 0.692 CB 1.257 15 residues pruned to eliminate duplicates Z: 28 15.475 1.943 0.280 0.413 0.963 0.630 CB 1.361 28 residues pruned to eliminate duplicates Z: 53 43.644 2.139 0.724 0.646 0.962 0.519 CA 1.489 53 residues pruned to eliminate duplicates Z: 21 19.440 2.041 0.611 0.527 0.900 0.450 CA 1.431 21 residues pruned to eliminate duplicates Z: 17 13.626 2.089 0.707 0.371 0.812 0.438 CB 1.349 17 residues pruned to eliminate duplicates Z: 30 30.122 2.148 0.729 0.600 0.897 0.448 CA 1.527 30 residues pruned to eliminate duplicates Z: 30 17.867 2.140 0.675 0.290 0.793 0.517 CB 1.477 30 residues pruned to eliminate duplicates Z: 11 14.807 1.932 0.419 0.531 1.000 0.500 N 1.657 10 residues pruned to eliminate duplicates Z: 13 9.075 1.796 0.589 0.465 0.917 0.333 CB 1.037 13 residues pruned to eliminate duplicates Z: 11 7.173 1.565 0.497 0.417 0.900 0.400 CB 1.172 12 residues pruned to eliminate duplicates Z: 12 11.260 2.044 0.582 0.430 0.727 0.545 C 1.552 12 residues pruned to eliminate duplicates Z: 10 4.881 1.611 0.897 0.349 0.667 0.444 N 0.941 10 residues pruned to eliminate duplicates Z: 32 32.124 2.140 0.573 0.751 0.871 0.806 CA 1.573 32 residues pruned to eliminate duplicates Z: 12 12.321 1.809 0.602 0.506 0.909 0.727 CB 1.402 12 residues pruned to eliminate duplicates Z: 7 4.457 1.419 0.486 0.590 0.833 0.500 CB 0.951 Z: 28 13.731 1.862 0.384 0.499 0.852 0.519 CB 1.205 28 residues pruned to eliminate duplicates Z: 20 26.370 2.202 0.377 0.866 1.000 0.842 CB 1.461 20 residues pruned to eliminate duplicates Z: 41 14.644 1.875 0.274 0.338 0.825 0.525 CA 1.402 41 residues pruned to eliminate duplicates Z: 6 3.275 1.664 -0.034 0.604 1.000 0.600 CA 0.825 Z: 6 5.154 1.320 0.541 0.603 1.000 1.000 N 1.027 7 1.733 1.394 -0.096 0.378 1.000 0.667 N 0.640 ? Z: 7 3.920 1.495 0.592 0.511 1.000 0.500 CB 0.665 Z: 8 3.559 1.868 0.574 0.303 0.714 0.571 CB 0.798 8 residues pruned to eliminate duplicates Z: 8 8.215 1.845 0.259 0.540 0.857 0.714 CB 1.499 8 residues pruned to eliminate duplicates Z: 7 2.968 1.754 0.225 0.262 0.833 0.500 CB 0.888 Z: 32 19.931 2.022 0.322 0.481 0.871 0.548 CB 1.568 32 residues pruned to eliminate duplicates Z: 8 5.137 1.534 0.372 0.704 0.857 0.714 CB 0.894 8 residues pruned to eliminate duplicates Z: 8 5.123 1.761 0.438 0.385 1.000 0.571 CB 0.864 8 residues pruned to eliminate duplicates Z: 7 6.990 1.756 0.255 0.754 1.000 0.833 CB 1.032 7 residues pruned to eliminate duplicates Z: 6 3.579 1.673 0.759 0.488 0.800 0.600 CA 0.688 Z: 6 4.673 1.625 0.469 0.527 1.000 0.400 CB 0.852 Z: 11 17.981 1.878 0.928 0.877 1.000 0.600 CB 1.141 11 residues pruned to eliminate duplicates Z: 7 3.083 1.485 0.066 0.337 1.000 0.500 CB 0.950 Z: 8 8.834 2.213 0.791 0.306 0.714 0.429 CA 1.463 8 residues pruned to eliminate duplicates Z: 22 17.066 1.925 0.402 0.487 0.905 0.571 N 1.545 22 residues pruned to eliminate duplicates Z: 31 14.547 1.765 0.686 0.398 0.800 0.333 CB 1.243 31 residues pruned to eliminate duplicates Z: 20 20.175 2.067 0.522 0.587 0.842 0.684 CA 1.607 20 residues pruned to eliminate duplicates Z: 13 9.297 1.761 0.245 0.468 0.917 0.750 CA 1.380 13 residues pruned to eliminate duplicates Z: 8 7.294 1.959 0.344 0.632 0.857 0.857 CB 1.078 6 residues pruned to eliminate duplicates Z: 6 8.977 1.919 0.243 0.787 1.000 1.000 CB 1.307 5 residues pruned to eliminate duplicates Z: 7 2.434 1.640 -0.068 0.488 0.833 0.667 CB 0.790 Z: 8 7.265 1.775 0.505 0.430 0.857 0.714 CB 1.290 8 residues pruned to eliminate duplicates Z: 9 11.986 2.061 0.754 0.810 0.750 0.250 CB 1.193 9 residues pruned to eliminate duplicates Z: 6 3.279 1.489 0.335 0.460 0.800 0.600 N 0.960 Z: 19 12.688 1.894 0.448 0.380 0.833 0.667 CB 1.487 19 residues pruned to eliminate duplicates Z: 13 4.748 1.683 0.278 0.373 0.833 0.417 CB 0.876 13 residues pruned to eliminate duplicates Z: 18 9.395 1.926 0.086 0.389 0.941 0.588 CB 1.303 18 residues pruned to eliminate duplicates Z: 21 22.014 2.169 0.702 0.447 0.900 0.700 CA 1.564 21 residues pruned to eliminate duplicates Z: 18 10.810 1.795 0.487 0.317 0.824 0.353 N 1.460 18 residues pruned to eliminate duplicates Z: 7 4.636 1.682 0.077 0.586 0.833 0.667 N 1.155 7 residues pruned to eliminate duplicates Z: 6 7.206 1.546 1.016 0.692 0.800 0.800 CB 1.084 6 residues pruned to eliminate duplicates Z: 20 41.998 2.229 1.076 0.927 1.000 0.684 CB 1.460 22 residues pruned to eliminate duplicates Z: 6 6.079 1.896 0.420 0.478 0.800 0.600 CB 1.291 6 residues pruned to eliminate duplicates Z: 10 13.232 1.927 0.405 0.694 1.000 0.889 CA 1.364 10 residues pruned to eliminate duplicates Z: 6 2.728 1.427 0.376 0.323 1.000 0.400 CB 0.755 Z: 8 5.131 1.655 0.390 0.427 0.714 0.286 CB 1.273 Z: 28 18.891 2.022 0.732 0.342 0.889 0.519 CB 1.387 28 residues pruned to eliminate duplicates Z: 6 2.184 1.426 -0.071 0.616 1.000 0.800 CB 0.661 6 residues pruned to eliminate duplicates Z: 17 13.143 1.802 0.406 0.705 0.875 0.562 CA 1.230 17 residues pruned to eliminate duplicates Z: 8 9.090 1.708 0.403 0.824 1.000 0.857 CB 1.083 6 residues pruned to eliminate duplicates Z: 11 14.227 1.951 0.462 0.598 1.000 0.700 N 1.436 11 residues pruned to eliminate duplicates Z: 12 4.702 1.613 0.064 0.398 0.727 0.455 CB 1.265 12 residues pruned to eliminate duplicates Z: 6 2.615 1.717 0.255 0.432 0.600 0.600 CA 0.970 Z: 14 13.913 2.083 0.616 0.465 0.923 0.692 CB 1.287 14 residues pruned to eliminate duplicates Z: 11 7.517 1.968 0.357 0.532 0.800 0.600 CB 1.078 11 residues pruned to eliminate duplicates Z: 10 9.614 1.827 0.021 0.789 1.000 0.444 CB 1.333 10 residues pruned to eliminate duplicates Z: 20 9.824 1.983 0.297 0.332 0.789 0.474 CB 1.334 20 residues pruned to eliminate duplicates Z: 8 9.042 1.861 0.574 0.704 0.857 0.857 CB 1.131 8 residues pruned to eliminate duplicates Z: 17 6.805 1.746 0.570 0.334 0.875 0.625 CA 0.850 7 residues pruned to eliminate duplicates Z: 16 10.136 1.678 0.468 0.517 0.800 0.467 CB 1.305 16 residues pruned to eliminate duplicates Z: 13 17.705 1.946 0.557 0.861 1.000 0.750 CB 1.239 13 residues pruned to eliminate duplicates Z: 23 26.959 2.190 0.472 0.669 1.000 0.773 CA 1.526 23 residues pruned to eliminate duplicates Z: 11 19.424 1.963 0.695 0.888 1.000 0.800 CA 1.330 11 residues pruned to eliminate duplicates Z: 12 10.261 2.076 0.751 0.266 0.818 0.364 CA 1.357 12 residues pruned to eliminate duplicates Z: 18 6.756 1.657 0.325 0.323 0.706 0.529 CA 1.284 14 residues pruned to eliminate duplicates Z: 10 10.332 1.754 0.172 0.783 1.000 1.000 CA 1.306 9 1.866 1.529 0.487 0.372 0.750 0.375 CB 0.444 ? Z: 10 3.696 1.706 -0.169 0.307 0.778 0.333 CA 1.384 9 residues pruned to eliminate duplicates Z: 11 11.934 2.030 0.098 0.883 1.000 0.900 CB 1.224 11 residues pruned to eliminate duplicates Z: 23 22.970 2.110 0.653 0.593 0.864 0.409 CA 1.487 23 residues pruned to eliminate duplicates Z: 7 2.660 1.456 0.379 0.615 0.667 0.500 CB 0.728 Z: 9 11.199 2.003 0.282 0.816 0.875 0.500 CB 1.340 9 residues pruned to eliminate duplicates Z: 9 6.875 1.844 0.048 0.656 0.750 0.625 CB 1.451 8 residues pruned to eliminate duplicates Z: 9 8.293 1.729 0.430 0.545 0.875 0.625 CA 1.297 9 residues pruned to eliminate duplicates Z: 22 14.038 1.918 0.426 0.521 0.857 0.476 CA 1.280 25 residues pruned to eliminate duplicates Z: 44 14.730 1.882 0.286 0.350 0.860 0.488 CB 1.268 36 residues pruned to eliminate duplicates Z: 7 2.711 1.174 0.477 0.756 1.000 1.000 C 0.508 Z: 6 4.043 1.404 0.165 0.491 1.000 0.800 CB 1.115 Z: 15 8.570 1.881 0.095 0.360 0.929 0.429 CB 1.393 15 residues pruned to eliminate duplicates Z: 11 11.442 1.977 0.135 0.891 0.800 0.600 CB 1.449 11 residues pruned to eliminate duplicates Z: 7 2.229 1.318 0.276 0.336 0.667 0.333 N 0.972 Z: 6 3.930 1.449 0.278 0.509 1.000 0.800 CB 0.941 Z: 17 14.230 1.880 0.381 0.467 0.938 0.438 CB 1.512 17 residues pruned to eliminate duplicates Z: 7 4.289 1.570 0.792 0.246 0.667 0.667 CB 1.251 Z: 23 25.977 2.114 0.700 0.591 0.955 0.773 CA 1.480 23 residues pruned to eliminate duplicates Z: 25 15.619 2.032 0.499 0.379 0.875 0.458 CA 1.361 25 residues pruned to eliminate duplicates Z: 13 6.851 1.731 0.510 0.460 0.750 0.417 CB 1.051 13 residues pruned to eliminate duplicates Z: 12 9.672 1.762 0.580 0.486 0.818 0.727 CA 1.298 12 residues pruned to eliminate duplicates Z: 13 9.315 1.732 0.647 0.402 0.833 0.583 CA 1.254 13 residues pruned to eliminate duplicates Z: 17 19.098 1.957 0.573 0.876 0.938 0.688 CA 1.203 17 residues pruned to eliminate duplicates Z: 8 7.559 1.649 0.537 0.524 0.857 0.714 CB 1.284 Z: 9 13.786 2.027 0.663 0.860 0.875 0.875 CB 1.215 9 residues pruned to eliminate duplicates Z: 8 7.110 1.855 0.256 0.572 0.714 0.714 CA 1.506 8 residues pruned to eliminate duplicates Z: 8 5.836 1.434 0.585 0.678 0.857 0.429 C 0.961 Z: 6 3.927 1.678 0.384 0.880 1.000 1.000 CB 0.548 Z: 6 2.168 1.427 0.003 0.357 0.800 0.000 CB 0.988 Z: 8 8.543 1.810 0.213 0.668 1.000 0.571 CA 1.259 8 residues pruned to eliminate duplicates Z: 13 7.316 1.649 0.269 0.439 0.833 0.500 CB 1.289 13 residues pruned to eliminate duplicates Z: 6 3.305 1.350 0.475 0.300 1.000 0.800 CB 0.928 Z: 27 8.297 1.952 0.247 0.257 0.731 0.385 CB 1.208 27 residues pruned to eliminate duplicates Z: 28 20.444 2.014 0.445 0.565 0.852 0.667 CB 1.490 28 residues pruned to eliminate duplicates Z: 10 3.373 1.886 0.116 0.253 0.667 0.333 CB 1.064 10 residues pruned to eliminate duplicates Z: 13 6.490 1.627 0.391 0.430 0.833 0.417 CB 1.068 13 residues pruned to eliminate duplicates Z: 37 14.985 1.754 0.395 0.417 0.861 0.556 CB 1.293 37 residues pruned to eliminate duplicates Z: 17 24.098 2.138 0.712 0.734 0.875 0.688 CA 1.525 17 residues pruned to eliminate duplicates Z: 9 3.911 1.642 0.083 0.160 1.000 0.500 CB 1.178 9 residues pruned to eliminate duplicates Z: 6 10.633 2.039 0.334 0.558 1.000 0.800 CB 1.653 Z: 7 6.955 1.909 0.365 0.394 0.833 0.833 CA 1.463 7 residues pruned to eliminate duplicates Z: 16 11.153 1.873 0.545 0.533 0.733 0.533 CB 1.313 16 residues pruned to eliminate duplicates Z: 22 49.172 2.150 1.108 0.943 1.000 0.762 CB 1.642 23 residues pruned to eliminate duplicates Z: 8 4.726 1.297 0.279 0.841 1.000 0.571 CA 0.803 Z: 10 3.901 1.275 0.633 0.384 0.778 0.333 CA 0.908 10 residues pruned to eliminate duplicates Z: 14 13.815 1.876 0.810 0.817 0.692 0.538 CA 1.237 14 residues pruned to eliminate duplicates Z: 8 2.936 1.454 0.320 0.337 1.000 0.429 N 0.691 Z: 14 11.378 2.063 0.286 0.448 0.846 0.615 CB 1.483 14 residues pruned to eliminate duplicates Z: 14 10.704 1.699 0.700 0.428 0.846 0.308 CA 1.308 10 residues pruned to eliminate duplicates Z: 7 5.288 1.408 0.591 0.572 0.833 0.500 CA 1.079 7 residues pruned to eliminate duplicates 7 1.331 1.187 0.088 0.276 0.667 0.500 CB 0.814 ? Z: 33 17.841 1.910 0.479 0.438 0.844 0.562 CA 1.411 33 residues pruned to eliminate duplicates Z: 53 39.109 2.129 0.561 0.607 0.962 0.692 CB 1.533 53 residues pruned to eliminate duplicates Z: 16 19.864 1.829 0.489 0.750 1.000 0.867 CA 1.507 16 residues pruned to eliminate duplicates Z: 10 9.458 1.966 0.291 0.498 0.889 0.667 N 1.401 10 residues pruned to eliminate duplicates Z: 37 23.769 1.946 0.498 0.501 0.917 0.556 CA 1.480 37 residues pruned to eliminate duplicates Z: 62 39.957 2.072 0.692 0.513 0.934 0.607 CA 1.542 62 residues pruned to eliminate duplicates Z: 15 7.392 1.891 0.522 0.259 0.857 0.357 CB 1.055 15 residues pruned to eliminate duplicates Z: 12 10.413 1.836 0.202 0.525 1.000 0.636 CB 1.387 12 residues pruned to eliminate duplicates 8 1.917 1.618 0.325 0.213 0.857 0.571 CB 0.553 ? Z: 11 15.657 2.131 0.353 0.843 0.900 0.900 CA 1.421 11 residues pruned to eliminate duplicates Z: 7 2.602 1.505 0.039 0.256 0.833 0.333 N 1.079 Z: 16 15.627 1.949 0.695 0.900 0.867 0.533 CA 1.007 16 residues pruned to eliminate duplicates Z: 6 2.252 1.263 0.382 0.452 0.800 0.600 CB 0.757 Z: 18 25.352 1.949 0.941 0.821 1.000 0.588 CB 1.230 19 residues pruned to eliminate duplicates Z: 6 3.901 1.367 0.499 0.329 1.000 0.600 CB 1.027 Z: 23 20.929 2.191 0.814 0.342 0.864 0.455 CB 1.544 23 residues pruned to eliminate duplicates Z: 11 4.334 1.920 0.020 0.230 0.700 0.300 CA 1.368 8 residues pruned to eliminate duplicates Z: 52 27.554 2.124 0.574 0.403 0.843 0.588 CB 1.516 53 residues pruned to eliminate duplicates Z: 8 12.136 1.894 0.645 0.846 0.857 0.857 CA 1.276 8 residues pruned to eliminate duplicates Z: 11 16.239 2.016 0.475 0.687 1.000 0.900 CA 1.455 11 residues pruned to eliminate duplicates Z: 6 5.378 1.687 0.526 0.615 0.800 0.800 N 1.047 6 residues pruned to eliminate duplicates Z: 6 4.050 1.477 0.517 0.805 0.800 0.800 CB 0.774 Z: 10 3.500 1.404 0.426 0.508 0.889 0.667 CB 0.650 8 1.755 1.398 0.314 0.283 0.571 0.571 CB 0.807 ? 7 1.555 1.513 -0.216 0.648 0.833 0.667 CB 0.560 ? Z: 11 11.281 2.049 0.610 0.468 0.900 0.600 CB 1.242 11 residues pruned to eliminate duplicates Z: 16 20.778 2.173 0.695 0.534 0.933 0.533 CA 1.509 16 residues pruned to eliminate duplicates Z: 24 21.235 2.020 0.508 0.483 0.957 0.739 CA 1.545 24 residues pruned to eliminate duplicates Z: 11 8.578 2.084 0.313 0.418 0.800 0.400 CB 1.349 11 residues pruned to eliminate duplicates Z: 18 9.108 2.027 0.340 0.379 0.765 0.471 CB 1.209 18 residues pruned to eliminate duplicates Z: 19 15.425 2.023 0.436 0.473 0.944 0.444 CA 1.362 19 residues pruned to eliminate duplicates Z: 6 4.586 1.470 0.357 0.450 1.000 0.400 CA 1.082 Z: 9 4.240 1.845 0.157 0.486 0.875 0.500 CB 0.814 9 residues pruned to eliminate duplicates Z: 10 4.427 1.654 0.205 0.370 0.889 0.333 CB 0.957 10 residues pruned to eliminate duplicates Z: 6 3.724 1.507 0.111 0.534 1.000 0.600 CA 0.962 6 residues pruned to eliminate duplicates Z: 12 3.939 1.730 0.140 0.195 0.727 0.182 CB 1.192 12 residues pruned to eliminate duplicates Z: 39 25.360 1.965 0.644 0.491 0.921 0.474 CB 1.395 39 residues pruned to eliminate duplicates Z: 6 5.952 1.462 0.444 0.879 1.000 0.600 CA 0.914 7 residues pruned to eliminate duplicates Z: 6 4.112 1.668 0.066 0.639 1.000 0.800 CB 0.909 3 residues pruned to eliminate duplicates Z: 6 2.684 1.515 0.635 0.285 0.600 0.600 C 1.028 Z: 18 10.236 1.899 0.130 0.361 0.941 0.412 CA 1.426 18 residues pruned to eliminate duplicates Z: 6 2.538 1.609 0.195 0.340 0.800 0.400 CB 0.879 6 residues pruned to eliminate duplicates Z: 9 3.628 1.470 0.208 0.653 0.875 0.750 CB 0.716 5 residues pruned to eliminate duplicates Z: 12 7.326 1.901 0.413 0.357 0.818 0.636 CB 1.172 12 residues pruned to eliminate duplicates Z: 9 7.342 1.794 0.371 0.534 1.000 0.625 CB 1.020 Z: 7 7.681 1.750 0.210 0.698 1.000 0.833 CA 1.238 7 residues pruned to eliminate duplicates Z: 8 8.668 1.777 0.582 0.503 0.857 0.286 CB 1.356 8 residues pruned to eliminate duplicates Z: 10 6.460 1.695 0.480 0.335 0.778 0.444 CB 1.322 11 residues pruned to eliminate duplicates Z: 35 21.167 2.045 0.459 0.472 0.971 0.471 CB 1.290 35 residues pruned to eliminate duplicates Z: 19 29.332 2.216 0.632 0.884 0.944 0.667 CB 1.463 19 residues pruned to eliminate duplicates Z: 14 26.791 1.873 0.870 0.881 1.000 0.538 N 1.536 13 residues pruned to eliminate duplicates Z: 6 4.942 1.477 0.158 0.600 1.000 0.600 CB 1.175 Z: 14 9.773 1.777 0.559 0.531 0.923 0.692 CA 1.028 22 residues pruned to eliminate duplicates Z: 8 7.223 1.722 0.756 0.302 0.857 0.571 CB 1.313 Z: 10 8.805 1.848 0.266 0.554 0.889 0.444 CA 1.338 10 residues pruned to eliminate duplicates Z: 59 36.327 2.118 0.652 0.523 0.897 0.569 CA 1.486 59 residues pruned to eliminate duplicates Z: 10 8.117 1.742 0.022 0.857 1.000 0.778 CA 1.121 10 residues pruned to eliminate duplicates Z: 8 4.744 1.737 0.830 0.258 0.714 0.429 CB 1.042 8 residues pruned to eliminate duplicates Z: 7 10.473 1.871 0.837 0.468 0.833 0.667 CA 1.542 7 residues pruned to eliminate duplicates 6 1.477 1.290 -0.036 0.367 1.000 0.800 N 0.613 ? Z: 15 10.887 1.970 0.220 0.470 0.929 0.571 CB 1.344 15 residues pruned to eliminate duplicates Z: 10 4.856 1.629 0.214 0.491 0.778 0.667 CA 1.062 10 residues pruned to eliminate duplicates Z: 24 13.057 1.825 0.380 0.454 0.870 0.435 CB 1.303 24 residues pruned to eliminate duplicates Z: 23 15.221 1.821 0.468 0.388 0.909 0.409 CA 1.504 23 residues pruned to eliminate duplicates Z: 18 18.594 2.016 0.413 0.778 0.941 0.824 CB 1.317 18 residues pruned to eliminate duplicates Z: 7 5.303 1.745 0.339 0.456 1.000 0.667 CB 0.969 6 residues pruned to eliminate duplicates Z: 7 3.555 1.326 0.125 0.682 0.833 0.500 O 0.988 Z: 15 13.828 2.005 0.367 0.549 0.857 0.357 CB 1.499 15 residues pruned to eliminate duplicates Z: 6 2.235 1.319 0.293 0.364 0.800 0.600 N 0.848 Z: 6 2.561 1.279 0.448 0.488 1.000 0.800 CB 0.626 Z: 9 10.516 1.854 0.273 0.673 1.000 0.875 CB 1.343 23 residues pruned to eliminate duplicates Z: 12 7.644 1.775 0.310 0.558 0.818 0.636 CA 1.146 12 residues pruned to eliminate duplicates Z: 6 4.364 1.414 0.870 0.486 0.600 0.400 N 1.247 6 1.710 1.462 -0.104 0.298 0.800 0.800 CA 0.915 ? Z: 13 3.726 1.761 0.272 0.163 0.833 0.250 CB 0.869 13 residues pruned to eliminate duplicates Z: 23 37.422 2.004 0.914 0.939 1.000 0.318 CB 1.445 23 residues pruned to eliminate duplicates Z: 22 33.064 2.087 0.622 0.882 1.000 0.667 CB 1.542 22 residues pruned to eliminate duplicates Z: 36 36.129 2.072 0.734 0.659 0.971 0.857 CA 1.510 36 residues pruned to eliminate duplicates Z: 10 5.430 1.656 0.478 0.560 0.889 0.556 CB 0.784 Z: 9 8.882 1.869 0.350 0.533 0.875 0.750 N 1.377 9 residues pruned to eliminate duplicates Z: 19 14.537 2.074 0.407 0.545 0.778 0.500 CB 1.445 19 residues pruned to eliminate duplicates Z: 8 5.255 1.581 0.872 0.210 0.857 0.286 CA 1.103 7 residues pruned to eliminate duplicates Z: 40 22.542 1.984 0.447 0.478 0.897 0.641 CB 1.433 40 residues pruned to eliminate duplicates Z: 15 13.557 1.908 0.413 0.484 0.857 0.500 N 1.593 15 residues pruned to eliminate duplicates Z: 8 3.910 1.599 0.375 0.373 0.714 0.429 CB 1.077 Z: 22 21.951 1.963 0.624 0.592 1.000 0.476 CB 1.376 22 residues pruned to eliminate duplicates Z: 8 2.255 1.223 0.127 0.209 0.857 0.571 O 1.016 8 residues pruned to eliminate duplicates Z: 32 14.295 1.921 0.363 0.337 0.839 0.452 CB 1.396 32 residues pruned to eliminate duplicates Z: 44 38.203 2.135 0.581 0.666 0.953 0.860 CA 1.552 44 residues pruned to eliminate duplicates Z: 40 39.993 2.149 0.965 0.533 0.923 0.641 CB 1.590 40 residues pruned to eliminate duplicates Z: 8 8.378 1.694 0.593 0.412 0.857 0.714 O 1.502 8 residues pruned to eliminate duplicates Z: 37 29.765 2.041 0.610 0.644 0.917 0.778 CA 1.440 37 residues pruned to eliminate duplicates Z: 7 4.393 1.637 0.237 0.524 0.667 0.667 O 1.298 Z: 8 3.553 1.418 0.585 0.212 1.000 0.429 CB 0.838 Z: 27 11.555 1.701 0.507 0.382 0.846 0.654 CB 1.185 27 residues pruned to eliminate duplicates Z: 12 8.263 1.613 0.519 0.545 0.818 0.727 CB 1.190 10 residues pruned to eliminate duplicates Z: 12 10.332 1.879 0.458 0.625 0.909 0.909 CB 1.112 12 residues pruned to eliminate duplicates 6 1.266 1.225 0.303 0.100 0.600 0.200 O 0.985 ? Z: 13 4.998 1.775 0.140 0.348 0.667 0.333 CB 1.262 13 residues pruned to eliminate duplicates Z: 6 6.891 1.832 0.998 0.438 0.800 0.400 CB 1.122 6 residues pruned to eliminate duplicates 6 1.349 1.038 0.899 0.300 0.600 0.400 C 0.638 ? Z: 7 3.377 1.432 0.517 0.312 1.000 0.500 CB 0.782 6 residues pruned to eliminate duplicates Z: 7 2.621 1.433 0.331 0.765 1.000 0.667 CB 0.444 7 residues pruned to eliminate duplicates Z: 6 3.632 1.888 -0.430 0.801 1.000 1.000 CB 1.160 7 1.100 1.467 0.496 0.243 0.500 0.500 CA 0.551 ? Z: 10 2.993 1.562 0.271 0.304 0.556 0.444 CB 1.124 Z: 10 8.570 1.823 0.169 0.516 0.889 0.444 CA 1.484 10 residues pruned to eliminate duplicates Z: 15 6.459 1.854 0.186 0.424 0.786 0.429 CB 1.082 15 residues pruned to eliminate duplicates Z: 47 31.802 2.101 0.627 0.449 0.957 0.630 CA 1.511 47 residues pruned to eliminate duplicates 6 1.949 1.149 0.553 0.381 0.800 0.600 CB 0.694 ? Z: 36 19.515 1.914 0.486 0.406 0.914 0.543 CA 1.400 36 residues pruned to eliminate duplicates 6 1.286 1.280 0.144 0.339 0.600 0.400 CB 0.780 ? Z: 14 8.917 1.626 0.275 0.567 1.000 0.846 CB 1.118 14 residues pruned to eliminate duplicates Z: 7 3.494 1.292 0.249 0.550 1.000 0.500 CA 0.841 Z: 14 25.462 2.085 0.482 0.867 1.000 0.846 CB 1.672 14 residues pruned to eliminate duplicates 6 1.939 1.521 -0.031 0.235 0.800 0.600 CB 1.001 ? Z: 28 19.351 1.994 0.579 0.485 0.889 0.519 CA 1.350 28 residues pruned to eliminate duplicates 7 1.621 1.393 -0.267 0.465 0.667 0.333 N 1.008 ? Z: 20 37.017 2.212 0.978 0.916 1.000 0.789 CB 1.370 20 residues pruned to eliminate duplicates Z: 12 8.717 1.854 0.309 0.391 0.909 0.455 CB 1.337 12 residues pruned to eliminate duplicates Z: 13 7.362 1.914 -0.101 0.457 0.917 0.500 CB 1.407 13 residues pruned to eliminate duplicates Z: 20 10.775 1.925 0.387 0.337 0.789 0.474 CB 1.400 20 residues pruned to eliminate duplicates Z: 9 13.717 1.923 0.620 0.868 1.000 0.625 CA 1.138 9 residues pruned to eliminate duplicates Z: 6 10.625 1.752 1.051 0.594 1.000 1.000 C 1.208 Z: 7 6.606 2.010 0.148 0.491 1.000 0.500 CB 1.180 7 residues pruned to eliminate duplicates Z: 6 5.184 1.746 0.367 0.774 0.800 0.800 CB 0.953 6 residues pruned to eliminate duplicates Z: 6 2.234 1.477 0.541 0.329 0.600 0.600 CB 0.882 Z: 29 15.734 1.854 0.610 0.518 0.893 0.679 CB 1.097 36 residues pruned to eliminate duplicates 6 1.191 1.157 0.678 0.291 0.600 0.400 N 0.578 ? Z: 31 18.079 2.013 0.413 0.450 0.833 0.633 CA 1.467 31 residues pruned to eliminate duplicates Z: 13 6.296 1.783 0.355 0.373 0.833 0.500 CA 1.034 13 residues pruned to eliminate duplicates Z: 17 26.154 2.159 0.633 0.886 0.875 0.250 CB 1.529 17 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 10.454 1.818 0.558 0.449 0.900 0.800 CB 1.366 11 residues pruned to eliminate duplicates Z: 12 7.882 1.765 0.565 0.434 0.818 0.545 CB 1.126 12 residues pruned to eliminate duplicates Z: 11 10.302 1.763 0.697 0.469 0.800 0.600 CB 1.404 11 residues pruned to eliminate duplicates Z: 6 2.243 1.446 0.755 0.423 0.600 0.600 CB 0.713 6 residues pruned to eliminate duplicates Z: 8 13.157 1.775 1.012 0.688 1.000 0.714 CB 1.172 8 residues pruned to eliminate duplicates Z: 6 4.141 1.760 0.259 0.435 1.000 0.600 CB 0.894 Z: 11 5.965 1.863 0.241 0.429 0.900 0.500 CB 0.976 15 residues pruned to eliminate duplicates Z: 8 8.335 1.605 0.798 0.482 1.000 0.714 CA 1.112 5 residues pruned to eliminate duplicates 6 1.672 1.423 0.246 0.340 0.600 0.000 CB 0.838 ? Z: 6 5.864 1.523 0.507 0.469 1.000 0.400 N 1.178 6 residues pruned to eliminate duplicates Z: 9 9.930 1.972 0.757 0.382 0.750 0.500 CA 1.531 9 residues pruned to eliminate duplicates Z: 12 15.813 1.968 0.316 0.855 0.909 0.545 CB 1.494 13 residues pruned to eliminate duplicates Z: 13 20.290 1.908 0.591 0.923 0.917 0.500 CB 1.479 12 residues pruned to eliminate duplicates Z: 12 19.245 2.032 0.686 0.862 0.909 0.636 CB 1.368 12 residues pruned to eliminate duplicates Z: 11 14.877 2.101 0.689 0.792 0.900 0.700 CB 1.140 11 residues pruned to eliminate duplicates Z: 12 18.404 2.126 0.713 0.749 0.818 0.455 CB 1.491 12 residues pruned to eliminate duplicates Z: 9 18.919 2.110 1.035 0.916 0.875 0.625 CB 1.257 11 residues pruned to eliminate duplicates Z: 11 16.905 2.001 0.844 0.787 0.900 0.400 CB 1.251 11 residues pruned to eliminate duplicates Z: 12 18.548 2.006 0.647 0.888 0.909 0.364 CB 1.341 10 residues pruned to eliminate duplicates Z: 10 13.253 2.041 0.608 0.901 0.889 0.444 CB 1.081 10 residues pruned to eliminate duplicates Z: 39 34.918 2.078 0.684 0.679 0.921 0.447 CB 1.491 39 residues pruned to eliminate duplicates Z: 13 20.378 2.069 0.660 0.753 1.000 0.500 CB 1.367 13 residues pruned to eliminate duplicates Z: 27 21.533 1.884 0.553 0.532 0.962 0.577 CB 1.455 27 residues pruned to eliminate duplicates Z: 8 5.210 1.708 0.373 0.454 0.714 0.429 CB 1.233 8 residues pruned to eliminate duplicates Z: 14 6.010 1.767 0.287 0.422 0.769 0.462 CB 1.033 14 residues pruned to eliminate duplicates Z: 8 6.942 1.726 0.234 0.579 1.000 0.714 CB 1.142 8 residues pruned to eliminate duplicates Z: 6 3.014 1.412 0.678 0.453 0.600 0.400 CA 0.995 Z: 6 4.200 1.387 0.830 0.452 1.000 0.600 CA 0.777 Z: 8 4.511 1.691 0.273 0.463 0.857 0.571 CB 0.960 8 residues pruned to eliminate duplicates Z: 12 4.200 1.736 0.305 0.217 0.818 0.364 CB 0.953 12 residues pruned to eliminate duplicates Z: 9 4.365 1.761 0.608 0.470 0.750 0.250 CB 0.749 9 residues pruned to eliminate duplicates Z: 14 5.152 1.730 0.218 0.298 0.923 0.462 CB 0.921 12 residues pruned to eliminate duplicates Z: 17 9.413 1.955 0.559 0.405 0.750 0.438 CB 1.137 17 residues pruned to eliminate duplicates Z: 22 11.306 1.908 0.526 0.418 0.810 0.714 CB 1.140 22 residues pruned to eliminate duplicates Z: 10 14.519 2.071 0.560 0.655 1.000 0.556 CB 1.298 10 residues pruned to eliminate duplicates Z: 12 11.126 1.930 0.472 0.545 0.909 0.727 CB 1.243 12 residues pruned to eliminate duplicates Z: 9 13.597 2.104 0.598 0.646 1.000 0.750 CA 1.247 9 residues pruned to eliminate duplicates Z: 9 18.997 2.132 0.725 0.772 1.000 0.875 CA 1.436 9 residues pruned to eliminate duplicates Z: 9 11.974 2.110 0.462 0.644 0.875 0.750 CA 1.370 9 residues pruned to eliminate duplicates Z: 20 8.844 1.917 0.487 0.325 0.842 0.526 CB 1.024 20 residues pruned to eliminate duplicates Z: 8 11.101 2.107 0.506 0.627 0.857 0.714 CB 1.369 8 residues pruned to eliminate duplicates Z: 20 10.324 1.869 0.329 0.487 0.895 0.421 CB 1.080 21 residues pruned to eliminate duplicates Z: 9 17.044 2.064 0.754 0.714 1.000 0.750 CB 1.372 9 residues pruned to eliminate duplicates Z: 24 10.531 1.785 0.503 0.306 0.870 0.348 CB 1.169 24 residues pruned to eliminate duplicates Z: 16 8.829 1.932 0.329 0.364 0.800 0.267 CB 1.285 16 residues pruned to eliminate duplicates Z: 8 5.155 1.716 0.416 0.397 0.857 0.286 CB 1.043 8 residues pruned to eliminate duplicates Z: 12 3.220 1.620 0.249 0.267 0.727 0.364 CB 0.860 12 residues pruned to eliminate duplicates Z: 11 5.460 1.955 0.198 0.336 0.800 0.300 CB 1.102 11 residues pruned to eliminate duplicates Z: 17 9.004 1.879 0.259 0.393 0.875 0.375 CB 1.217 17 residues pruned to eliminate duplicates Z: 14 4.273 1.936 0.118 0.264 0.692 0.385 CB 1.035 14 residues pruned to eliminate duplicates Z: 14 8.047 1.969 0.267 0.418 0.846 0.462 CB 1.152 14 residues pruned to eliminate duplicates Z: 12 6.166 1.987 0.270 0.362 0.818 0.273 CB 1.044 12 residues pruned to eliminate duplicates Z: 13 7.906 1.883 0.281 0.297 0.833 0.333 CA 1.424 13 residues pruned to eliminate duplicates Z: 18 8.079 1.974 0.237 0.333 0.765 0.412 CB 1.260 17 residues pruned to eliminate duplicates Z: 7 5.756 1.890 0.336 0.654 0.833 0.500 CA 0.967 7 residues pruned to eliminate duplicates Z: 13 7.784 1.680 0.446 0.600 0.917 0.333 CA 0.917 10 residues pruned to eliminate duplicates Z: 7 6.132 1.874 0.397 0.726 1.000 0.333 CB 0.780 7 residues pruned to eliminate duplicates Z: 10 4.387 1.564 0.414 0.610 0.889 0.667 CB 0.670 9 residues pruned to eliminate duplicates Z: 7 4.950 1.868 0.718 0.587 0.667 0.333 CB 0.869 7 residues pruned to eliminate duplicates Z: 9 7.128 1.746 0.404 0.732 1.000 0.625 CB 0.834 9 residues pruned to eliminate duplicates Z: 13 12.196 1.828 0.558 0.460 0.917 0.417 CA 1.405 12 residues pruned to eliminate duplicates Z: 6 5.783 1.618 0.149 0.676 1.000 0.600 CA 1.184 6 residues pruned to eliminate duplicates Z: 12 13.033 1.940 0.397 0.462 1.000 0.636 CA 1.508 12 residues pruned to eliminate duplicates Z: 12 14.054 2.014 0.324 0.516 1.000 0.636 CA 1.564 12 residues pruned to eliminate duplicates Z: 13 10.485 1.831 0.475 0.420 0.833 0.500 CA 1.462 13 residues pruned to eliminate duplicates Z: 14 10.676 1.773 0.415 0.401 0.923 0.769 CA 1.419 14 residues pruned to eliminate duplicates Z: 16 8.644 1.765 0.289 0.349 0.867 0.267 CB 1.332 16 residues pruned to eliminate duplicates Z: 14 11.279 1.845 0.288 0.452 0.923 0.385 CB 1.499 14 residues pruned to eliminate duplicates Z: 27 13.965 1.936 0.307 0.552 0.885 0.538 CB 1.163 27 residues pruned to eliminate duplicates Z: 30 14.192 1.874 0.452 0.408 0.828 0.483 CB 1.289 30 residues pruned to eliminate duplicates Z: 24 11.786 2.011 0.152 0.461 0.913 0.478 CB 1.209 24 residues pruned to eliminate duplicates Z: 16 10.354 2.024 0.221 0.401 0.867 0.600 CA 1.385 16 residues pruned to eliminate duplicates Z: 16 11.723 2.022 0.184 0.530 0.867 0.600 CA 1.416 16 residues pruned to eliminate duplicates Z: 15 9.274 2.014 0.133 0.461 0.786 0.500 CA 1.439 15 residues pruned to eliminate duplicates Z: 17 11.466 1.932 0.229 0.465 0.938 0.625 CB 1.334 17 residues pruned to eliminate duplicates Z: 16 12.719 1.987 0.355 0.445 0.867 0.533 CB 1.489 16 residues pruned to eliminate duplicates Z: 25 15.721 1.965 0.547 0.434 0.875 0.458 CB 1.292 25 residues pruned to eliminate duplicates Z: 29 16.744 1.881 0.620 0.499 0.893 0.607 CB 1.165 29 residues pruned to eliminate duplicates Z: 23 13.565 1.971 0.412 0.511 0.909 0.545 CB 1.131 22 residues pruned to eliminate duplicates Z: 7 8.402 1.798 0.788 0.469 1.000 0.833 CA 1.101 7 residues pruned to eliminate duplicates Z: 38 24.864 2.043 0.529 0.453 0.919 0.568 CA 1.494 38 residues pruned to eliminate duplicates Z: 38 24.533 2.043 0.489 0.478 0.919 0.622 CB 1.475 38 residues pruned to eliminate duplicates Z: 39 22.180 2.012 0.398 0.474 0.895 0.632 CB 1.468 39 residues pruned to eliminate duplicates Z: 27 19.587 2.004 0.493 0.469 0.923 0.577 CA 1.436 27 residues pruned to eliminate duplicates Z: 41 24.166 1.959 0.579 0.450 0.875 0.625 CA 1.485 41 residues pruned to eliminate duplicates Z: 39 21.074 2.004 0.431 0.454 0.868 0.579 CA 1.439 39 residues pruned to eliminate duplicates Z: 40 24.394 2.013 0.543 0.482 0.872 0.667 CB 1.469 40 residues pruned to eliminate duplicates Z: 33 26.742 2.160 0.472 0.507 0.906 0.781 CA 1.629 33 residues pruned to eliminate duplicates Z: 39 23.824 2.022 0.529 0.462 0.868 0.579 CA 1.496 39 residues pruned to eliminate duplicates Z: 35 25.583 2.065 0.491 0.492 0.941 0.676 CA 1.526 35 residues pruned to eliminate duplicates Z: 38 26.988 2.076 0.518 0.470 0.919 0.649 CB 1.579 38 residues pruned to eliminate duplicates Z: 29 16.340 1.891 0.531 0.391 0.786 0.536 CA 1.523 29 residues pruned to eliminate duplicates Z: 39 25.104 2.043 0.490 0.462 0.921 0.632 CA 1.510 39 residues pruned to eliminate duplicates Z: 31 27.885 2.110 0.591 0.500 0.967 0.733 CB 1.569 42 residues pruned to eliminate duplicates Z: 20 21.761 2.105 0.628 0.541 0.842 0.579 CA 1.663 20 residues pruned to eliminate duplicates Z: 38 24.196 2.013 0.541 0.483 0.946 0.649 CA 1.379 38 residues pruned to eliminate duplicates Z: 40 25.793 2.014 0.556 0.461 0.923 0.641 CA 1.485 32 residues pruned to eliminate duplicates Z: 6 3.555 1.650 0.187 0.287 1.000 0.600 CA 1.031 6 residues pruned to eliminate duplicates Z: 36 25.386 2.092 0.505 0.469 0.943 0.600 CA 1.491 36 residues pruned to eliminate duplicates Z: 49 25.133 1.947 0.566 0.455 0.875 0.583 CA 1.425 70 residues pruned to eliminate duplicates Z: 6 3.702 1.296 0.449 0.409 1.000 0.600 N 0.970 6 residues pruned to eliminate duplicates Z: 6 6.111 2.120 0.289 0.520 0.800 0.600 CB 1.225 6 residues pruned to eliminate duplicates Z: 6 3.271 1.613 0.997 0.318 0.600 0.600 CB 0.925 6 residues pruned to eliminate duplicates Z: 7 10.215 1.899 0.685 0.594 0.833 0.667 CB 1.429 7 residues pruned to eliminate duplicates Z: 10 11.613 1.986 0.436 0.467 0.889 0.667 CA 1.578 11 residues pruned to eliminate duplicates Z: 7 11.329 1.978 0.595 0.552 0.833 0.667 CA 1.671 6 residues pruned to eliminate duplicates Z: 13 11.573 1.836 0.666 0.338 0.833 0.583 CA 1.563 32 residues pruned to eliminate duplicates Z: 10 12.301 1.907 0.518 0.473 0.889 0.667 CA 1.638 10 residues pruned to eliminate duplicates Z: 9 13.264 2.015 0.445 0.596 1.000 0.750 N 1.469 9 residues pruned to eliminate duplicates Z: 11 11.687 1.912 0.400 0.492 1.000 0.800 CA 1.391 11 residues pruned to eliminate duplicates Z: 11 9.960 1.897 0.312 0.462 1.000 0.700 CA 1.316 11 residues pruned to eliminate duplicates Z: 9 13.151 2.047 0.493 0.635 0.875 0.625 N 1.532 9 residues pruned to eliminate duplicates Z: 16 11.928 1.894 0.330 0.418 0.867 0.467 N 1.537 16 residues pruned to eliminate duplicates Z: 12 9.401 1.822 0.412 0.466 0.909 0.727 CB 1.255 12 residues pruned to eliminate duplicates Z: 11 10.378 1.908 0.338 0.457 1.000 0.700 CB 1.343 11 residues pruned to eliminate duplicates Z: 11 11.222 1.862 0.594 0.481 0.900 0.900 CA 1.354 11 residues pruned to eliminate duplicates Z: 11 10.677 1.865 0.384 0.380 0.900 0.500 O 1.652 11 residues pruned to eliminate duplicates Z: 11 6.578 1.722 0.300 0.346 0.900 0.400 CB 1.221 11 residues pruned to eliminate duplicates Z: 9 11.049 1.967 0.453 0.372 1.000 0.750 CA 1.568 9 residues pruned to eliminate duplicates Z: 9 6.399 1.849 0.507 0.166 0.750 0.625 CB 1.625 10 residues pruned to eliminate duplicates Z: 11 13.200 1.828 0.362 0.551 1.000 0.600 CB 1.596 11 residues pruned to eliminate duplicates Z: 9 7.340 1.936 0.679 0.383 0.625 0.500 CB 1.447 9 residues pruned to eliminate duplicates Z: 6 3.565 1.486 0.303 0.604 0.800 0.400 C 0.932 7 residues pruned to eliminate duplicates Z: 10 6.610 1.670 0.284 0.426 0.778 0.444 CB 1.426 8 residues pruned to eliminate duplicates Z: 8 8.539 1.868 0.320 0.427 1.000 0.286 CA 1.412 8 residues pruned to eliminate duplicates Z: 24 18.355 1.871 0.476 0.547 0.957 0.609 CB 1.384 35 residues pruned to eliminate duplicates Z: 23 19.694 1.941 0.543 0.550 0.955 0.727 CB 1.398 25 residues pruned to eliminate duplicates Z: 7 10.959 1.910 0.677 0.511 1.000 1.000 CA 1.382 10 residues pruned to eliminate duplicates Z: 8 9.873 1.889 0.426 0.503 0.857 0.714 CA 1.611 8 residues pruned to eliminate duplicates Z: 17 14.418 1.956 0.293 0.451 1.000 0.562 CB 1.499 17 residues pruned to eliminate duplicates Z: 24 20.005 1.899 0.727 0.533 0.870 0.478 CB 1.416 24 residues pruned to eliminate duplicates Z: 21 21.385 2.004 0.709 0.586 0.900 0.700 CB 1.428 20 residues pruned to eliminate duplicates Z: 7 2.766 1.471 0.434 0.425 0.833 0.167 CB 0.694 7 residues pruned to eliminate duplicates Z: 22 19.097 1.928 0.555 0.507 0.952 0.667 CB 1.449 20 residues pruned to eliminate duplicates Z: 6 3.363 1.570 0.812 0.283 0.800 0.600 CA 0.844 6 1.669 1.281 1.034 0.100 0.600 0.200 CA 0.796 ? Z: 6 4.163 1.734 1.066 0.470 1.000 0.800 CA 0.536 Z: 6 5.040 1.555 0.371 0.426 1.000 0.600 CA 1.142 6 residues pruned to eliminate duplicates Z: 28 19.172 2.096 0.580 0.479 0.815 0.519 CB 1.396 28 residues pruned to eliminate duplicates Z: 49 28.650 2.079 0.446 0.609 0.917 0.625 CA 1.353 49 residues pruned to eliminate duplicates Z: 11 7.515 1.786 0.307 0.505 0.900 0.700 CA 1.125 11 residues pruned to eliminate duplicates Z: 11 12.062 2.034 0.589 0.533 0.900 0.500 CA 1.270 17 residues pruned to eliminate duplicates Z: 36 21.491 2.107 0.570 0.474 0.829 0.514 CB 1.360 36 residues pruned to eliminate duplicates Z: 29 15.831 1.962 0.686 0.363 0.821 0.429 CB 1.275 29 residues pruned to eliminate duplicates Z: 24 17.103 2.112 0.508 0.416 0.870 0.565 CB 1.406 24 residues pruned to eliminate duplicates Z: 29 13.110 2.059 0.419 0.349 0.786 0.393 CB 1.271 29 residues pruned to eliminate duplicates Z: 42 27.430 2.077 0.476 0.644 0.902 0.659 CA 1.354 42 residues pruned to eliminate duplicates Z: 23 17.447 2.108 0.578 0.412 0.909 0.500 CB 1.348 23 residues pruned to eliminate duplicates Z: 26 18.216 1.973 0.694 0.373 0.920 0.560 CA 1.358 26 residues pruned to eliminate duplicates Z: 42 25.077 2.049 0.436 0.621 0.927 0.659 CA 1.281 42 residues pruned to eliminate duplicates Z: 22 18.473 2.152 0.544 0.427 0.905 0.476 CA 1.446 22 residues pruned to eliminate duplicates Z: 38 20.739 2.048 0.510 0.422 0.865 0.486 CA 1.383 38 residues pruned to eliminate duplicates Z: 28 16.326 2.102 0.445 0.385 0.852 0.481 CB 1.373 28 residues pruned to eliminate duplicates Z: 25 14.890 2.067 0.428 0.382 0.833 0.458 CA 1.401 25 residues pruned to eliminate duplicates Z: 37 19.856 2.033 0.417 0.452 0.917 0.611 CB 1.316 37 residues pruned to eliminate duplicates Z: 25 18.950 2.079 0.575 0.425 0.875 0.583 CB 1.459 25 residues pruned to eliminate duplicates Z: 19 12.032 2.065 0.438 0.393 0.944 0.500 CB 1.133 19 residues pruned to eliminate duplicates Z: 24 21.344 2.110 0.661 0.435 0.957 0.652 CA 1.421 24 residues pruned to eliminate duplicates Z: 25 18.033 2.138 0.480 0.399 0.917 0.375 CB 1.412 25 residues pruned to eliminate duplicates Z: 23 20.691 2.140 0.616 0.417 0.955 0.591 CB 1.458 23 residues pruned to eliminate duplicates Z: 24 18.440 2.085 0.615 0.432 0.870 0.522 CA 1.409 24 residues pruned to eliminate duplicates Z: 33 20.718 1.967 0.373 0.697 0.938 0.750 CA 1.208 33 residues pruned to eliminate duplicates Z: 17 12.340 2.110 0.304 0.436 0.875 0.688 CB 1.368 17 residues pruned to eliminate duplicates Z: 13 13.154 2.106 0.306 0.526 0.917 0.750 CA 1.467 13 residues pruned to eliminate duplicates Z: 37 27.724 2.018 0.578 0.678 0.944 0.778 CA 1.304 37 residues pruned to eliminate duplicates Z: 58 28.674 1.987 0.422 0.589 0.877 0.596 CA 1.407 58 residues pruned to eliminate duplicates Z: 26 19.284 2.067 0.373 0.649 0.960 0.640 CA 1.233 26 residues pruned to eliminate duplicates Z: 37 25.441 2.093 0.406 0.643 0.944 0.639 CA 1.335 37 residues pruned to eliminate duplicates Z: 38 35.393 2.077 0.846 0.682 0.973 0.595 CA 1.319 38 residues pruned to eliminate duplicates Z: 23 26.072 2.077 0.660 0.824 0.955 0.682 CA 1.276 23 residues pruned to eliminate duplicates Z: 15 21.998 2.026 1.131 0.699 0.929 0.571 CA 1.222 15 residues pruned to eliminate duplicates Z: 20 30.723 2.058 0.988 0.913 1.000 0.684 CA 1.219 20 residues pruned to eliminate duplicates Z: 15 20.988 2.083 0.809 0.850 0.786 0.429 CA 1.404 15 residues pruned to eliminate duplicates Z: 20 21.730 1.878 0.778 0.784 0.947 0.737 CA 1.227 20 residues pruned to eliminate duplicates Z: 24 24.702 1.950 0.858 0.801 0.913 0.478 CA 1.196 24 residues pruned to eliminate duplicates Z: 22 22.927 1.967 0.845 0.820 0.905 0.476 CA 1.154 22 residues pruned to eliminate duplicates Z: 14 24.180 2.035 1.156 0.747 0.923 0.385 CA 1.327 14 residues pruned to eliminate duplicates Z: 18 25.593 1.979 1.057 0.867 0.941 0.471 CA 1.185 18 residues pruned to eliminate duplicates Z: 16 21.550 2.011 1.068 0.862 0.867 0.533 CA 1.133 16 residues pruned to eliminate duplicates Z: 18 22.084 1.917 1.026 0.838 0.941 0.647 CA 1.095 18 residues pruned to eliminate duplicates Z: 21 28.875 2.071 0.822 0.914 1.000 0.700 CA 1.210 21 residues pruned to eliminate duplicates Z: 24 22.914 1.960 0.722 0.829 0.913 0.783 CA 1.166 24 residues pruned to eliminate duplicates Z: 42 32.660 2.087 0.535 0.529 0.951 0.659 CA 1.626 42 residues pruned to eliminate duplicates Z: 41 30.646 2.071 0.550 0.532 0.950 0.650 CB 1.540 41 residues pruned to eliminate duplicates Z: 43 31.895 2.089 0.564 0.514 0.952 0.500 CA 1.560 43 residues pruned to eliminate duplicates Z: 11 22.622 2.100 1.037 0.807 1.000 0.600 CB 1.280 11 residues pruned to eliminate duplicates Z: 11 21.057 2.195 0.758 0.880 1.000 0.500 CB 1.250 11 residues pruned to eliminate duplicates Z: 13 17.930 2.026 0.783 0.701 1.000 0.417 CB 1.193 13 residues pruned to eliminate duplicates Z: 41 36.675 2.122 0.736 0.569 0.925 0.600 CB 1.592 41 residues pruned to eliminate duplicates Z: 11 18.457 2.133 0.679 0.846 0.900 0.500 CB 1.345 11 residues pruned to eliminate duplicates Z: 43 31.989 2.087 0.522 0.539 0.929 0.571 CB 1.610 42 residues pruned to eliminate duplicates Z: 12 20.838 2.032 0.737 0.832 1.000 0.636 CB 1.336 12 residues pruned to eliminate duplicates Z: 43 31.601 2.068 0.612 0.507 0.929 0.524 CA 1.565 43 residues pruned to eliminate duplicates Z: 32 26.348 2.015 0.630 0.572 0.968 0.677 CB 1.389 32 residues pruned to eliminate duplicates Z: 32 26.222 2.093 0.579 0.452 0.903 0.516 CA 1.657 32 residues pruned to eliminate duplicates Z: 42 33.687 2.093 0.671 0.565 0.902 0.585 CA 1.565 42 residues pruned to eliminate duplicates Z: 42 34.353 2.106 0.636 0.541 0.927 0.512 CB 1.614 43 residues pruned to eliminate duplicates Z: 6 7.218 2.099 0.195 0.386 1.000 0.400 CA 1.453 6 residues pruned to eliminate duplicates Z: 32 22.120 2.077 0.459 0.422 0.903 0.613 CB 1.575 32 residues pruned to eliminate duplicates Z: 33 25.801 2.072 0.687 0.456 0.875 0.562 CA 1.559 33 residues pruned to eliminate duplicates Z: 34 24.635 2.021 0.665 0.433 0.879 0.455 CB 1.555 34 residues pruned to eliminate duplicates Z: 43 33.549 2.087 0.638 0.549 0.929 0.571 CA 1.554 43 residues pruned to eliminate duplicates Z: 40 28.332 2.059 0.603 0.471 0.897 0.487 CB 1.578 40 residues pruned to eliminate duplicates Z: 42 33.339 2.099 0.661 0.540 0.902 0.537 CA 1.592 42 residues pruned to eliminate duplicates Z: 32 22.005 2.000 0.565 0.457 0.871 0.645 CA 1.514 32 residues pruned to eliminate duplicates Z: 43 31.331 2.065 0.638 0.521 0.929 0.595 CB 1.508 43 residues pruned to eliminate duplicates Z: 25 22.843 2.070 0.616 0.470 0.875 0.542 CA 1.642 25 residues pruned to eliminate duplicates Z: 30 22.959 1.998 0.707 0.451 0.862 0.655 CA 1.525 30 residues pruned to eliminate duplicates Z: 43 33.674 2.069 0.652 0.550 0.929 0.643 CB 1.560 43 residues pruned to eliminate duplicates Z: 42 30.666 2.086 0.672 0.524 0.878 0.561 CB 1.527 42 residues pruned to eliminate duplicates Z: 29 21.154 2.068 0.615 0.398 0.857 0.500 CA 1.555 29 residues pruned to eliminate duplicates Z: 44 28.048 2.030 0.567 0.509 0.884 0.581 CA 1.508 44 residues pruned to eliminate duplicates Z: 47 32.376 2.045 0.631 0.523 0.935 0.522 CA 1.497 45 residues pruned to eliminate duplicates Z: 9 17.050 1.942 0.876 0.852 1.000 0.875 CA 1.223 9 residues pruned to eliminate duplicates Z: 32 27.534 2.113 0.714 0.452 0.935 0.516 CB 1.534 32 residues pruned to eliminate duplicates Z: 21 20.936 2.049 0.613 0.521 0.900 0.600 CA 1.541 21 residues pruned to eliminate duplicates Z: 42 28.721 2.047 0.663 0.509 0.854 0.439 CA 1.529 42 residues pruned to eliminate duplicates Z: 42 32.241 2.079 0.580 0.594 0.927 0.561 CA 1.512 42 residues pruned to eliminate duplicates Z: 14 14.570 1.879 0.453 0.646 0.923 0.385 CB 1.399 14 residues pruned to eliminate duplicates Z: 13 12.631 1.888 0.553 0.664 0.833 0.500 CB 1.282 13 residues pruned to eliminate duplicates Z: 53 37.414 2.160 0.560 0.539 0.923 0.654 CA 1.605 53 residues pruned to eliminate duplicates Z: 61 40.943 2.092 0.603 0.582 0.917 0.667 CA 1.589 61 residues pruned to eliminate duplicates Z: 15 12.043 1.820 0.564 0.569 0.786 0.429 CB 1.346 15 residues pruned to eliminate duplicates Z: 50 38.394 2.174 0.604 0.547 0.939 0.653 CA 1.601 50 residues pruned to eliminate duplicates Z: 63 43.294 2.111 0.613 0.628 0.968 0.694 CA 1.478 63 residues pruned to eliminate duplicates Z: 62 46.895 2.137 0.741 0.592 0.934 0.705 CA 1.581 70 residues pruned to eliminate duplicates Z: 12 16.515 1.916 0.548 0.732 1.000 0.545 CB 1.363 12 residues pruned to eliminate duplicates Z: 12 16.670 1.928 0.764 0.639 0.909 0.455 CB 1.428 12 residues pruned to eliminate duplicates Z: 60 44.214 2.128 0.680 0.569 0.949 0.678 CB 1.587 60 residues pruned to eliminate duplicates Z: 31 25.669 2.138 0.683 0.459 0.867 0.533 CA 1.566 31 residues pruned to eliminate duplicates Z: 62 42.091 2.130 0.583 0.611 0.934 0.656 CA 1.540 62 residues pruned to eliminate duplicates Z: 61 41.264 2.127 0.584 0.588 0.917 0.633 CA 1.586 61 residues pruned to eliminate duplicates Z: 63 41.304 2.113 0.582 0.598 0.935 0.661 CA 1.527 63 residues pruned to eliminate duplicates Z: 53 37.773 2.164 0.632 0.549 0.923 0.712 CA 1.532 53 residues pruned to eliminate duplicates Z: 33 23.287 2.056 0.571 0.467 0.875 0.500 CA 1.507 33 residues pruned to eliminate duplicates Z: 53 30.656 2.067 0.529 0.484 0.923 0.538 CA 1.481 53 residues pruned to eliminate duplicates Z: 48 37.384 2.099 0.636 0.617 0.957 0.702 CA 1.484 48 residues pruned to eliminate duplicates Z: 31 25.885 2.147 0.623 0.456 0.900 0.500 CA 1.576 31 residues pruned to eliminate duplicates Z: 43 34.464 2.153 0.529 0.616 0.952 0.643 CA 1.521 43 residues pruned to eliminate duplicates Z: 46 37.440 2.161 0.592 0.615 0.933 0.733 CA 1.559 46 residues pruned to eliminate duplicates Z: 44 40.659 2.188 0.741 0.635 0.930 0.791 CA 1.542 44 residues pruned to eliminate duplicates Z: 6 5.566 1.397 0.951 0.454 1.000 0.600 C 0.957 6 residues pruned to eliminate duplicates Z: 55 36.779 2.076 0.796 0.540 0.889 0.611 CB 1.453 55 residues pruned to eliminate duplicates Z: 53 38.906 2.155 0.668 0.558 0.904 0.692 CA 1.570 53 residues pruned to eliminate duplicates Z: 53 41.981 2.156 0.736 0.609 0.923 0.750 CA 1.518 53 residues pruned to eliminate duplicates Z: 59 42.757 2.126 0.672 0.595 0.948 0.621 CA 1.520 59 residues pruned to eliminate duplicates Z: 62 42.251 2.118 0.748 0.561 0.918 0.639 CA 1.500 62 residues pruned to eliminate duplicates Z: 63 38.276 2.087 0.576 0.577 0.935 0.645 CA 1.467 63 residues pruned to eliminate duplicates Z: 61 46.458 2.156 0.692 0.598 0.933 0.633 CA 1.605 61 residues pruned to eliminate duplicates Z: 47 28.985 2.003 0.498 0.607 0.891 0.565 CA 1.443 47 residues pruned to eliminate duplicates Z: 33 39.801 2.145 0.661 0.760 0.969 0.844 CA 1.619 33 residues pruned to eliminate duplicates Z: 6 5.242 1.506 0.471 0.490 1.000 1.000 N 1.069 6 residues pruned to eliminate duplicates Z: 57 45.998 2.162 0.727 0.592 0.964 0.607 CA 1.563 57 residues pruned to eliminate duplicates Z: 30 28.669 2.076 0.496 0.728 0.931 0.862 CA 1.499 30 residues pruned to eliminate duplicates Z: 47 37.005 2.131 0.616 0.604 0.957 0.739 CA 1.500 47 residues pruned to eliminate duplicates Z: 54 35.309 2.135 0.526 0.503 0.925 0.547 CA 1.605 54 residues pruned to eliminate duplicates Z: 24 23.504 2.124 0.589 0.574 0.913 0.696 CA 1.481 24 residues pruned to eliminate duplicates Z: 39 27.538 2.030 0.526 0.602 0.895 0.763 CA 1.463 39 residues pruned to eliminate duplicates Z: 26 25.309 2.100 0.350 0.751 0.880 0.760 CA 1.623 26 residues pruned to eliminate duplicates Z: 35 30.811 2.074 0.498 0.681 0.941 0.824 CA 1.530 35 residues pruned to eliminate duplicates Z: 33 30.813 2.088 0.482 0.728 1.000 0.875 CA 1.434 33 residues pruned to eliminate duplicates Z: 44 38.760 2.175 0.683 0.639 0.953 0.674 CA 1.488 44 residues pruned to eliminate duplicates Z: 22 35.650 2.102 0.639 0.918 1.000 0.857 CA 1.592 22 residues pruned to eliminate duplicates Z: 59 47.013 2.177 0.704 0.600 0.931 0.603 CA 1.625 59 residues pruned to eliminate duplicates Z: 34 41.027 2.138 0.884 0.718 0.939 0.697 CA 1.550 34 residues pruned to eliminate duplicates Z: 22 44.801 2.169 0.863 0.947 1.000 0.762 CB 1.672 23 residues pruned to eliminate duplicates Z: 23 44.432 2.144 0.836 0.921 1.000 0.727 CA 1.693 23 residues pruned to eliminate duplicates Z: 44 48.570 2.206 0.840 0.652 0.953 0.651 CB 1.661 43 residues pruned to eliminate duplicates Z: 21 40.505 2.168 1.012 0.923 0.950 0.750 CB 1.535 23 residues pruned to eliminate duplicates Z: 23 42.740 2.122 0.798 0.923 1.000 0.773 CB 1.679 23 residues pruned to eliminate duplicates Z: 33 40.876 2.124 0.811 0.728 0.969 0.562 CB 1.579 33 residues pruned to eliminate duplicates Z: 47 42.402 2.124 0.924 0.607 0.891 0.522 CB 1.551 45 residues pruned to eliminate duplicates Z: 16 31.508 2.043 0.958 0.891 0.933 0.533 CA 1.567 16 residues pruned to eliminate duplicates Z: 23 45.929 2.115 0.995 0.911 1.000 0.545 CB 1.645 23 residues pruned to eliminate duplicates Z: 61 51.347 2.132 0.844 0.614 0.933 0.467 CB 1.622 61 residues pruned to eliminate duplicates Z: 35 38.142 2.071 0.864 0.706 0.941 0.412 CB 1.493 35 residues pruned to eliminate duplicates Z: 11 18.076 2.192 0.863 0.495 0.900 0.600 CB 1.563 11 residues pruned to eliminate duplicates Z: 13 13.191 2.161 0.616 0.402 0.833 0.417 CB 1.451 13 residues pruned to eliminate duplicates Z: 12 12.436 2.169 0.598 0.465 0.818 0.545 CB 1.371 12 residues pruned to eliminate duplicates Z: 12 13.333 2.168 0.764 0.506 0.818 0.545 CB 1.277 12 residues pruned to eliminate duplicates Z: 14 10.919 2.081 0.449 0.469 0.769 0.615 CB 1.347 14 residues pruned to eliminate duplicates Z: 13 10.804 2.067 0.459 0.439 0.833 0.417 CB 1.321 13 residues pruned to eliminate duplicates Z: 13 10.515 2.160 0.572 0.442 0.667 0.417 CB 1.424 13 residues pruned to eliminate duplicates Z: 11 11.234 2.193 0.556 0.438 0.800 0.400 CB 1.388 11 residues pruned to eliminate duplicates Z: 11 11.227 2.170 0.448 0.402 0.800 0.400 CB 1.566 11 residues pruned to eliminate duplicates Z: 40 24.508 2.074 0.573 0.441 0.846 0.564 CA 1.510 43 residues pruned to eliminate duplicates Z: 6 3.958 1.456 0.649 0.410 1.000 0.400 CA 0.810 6 residues pruned to eliminate duplicates Z: 46 31.543 2.041 0.637 0.543 0.911 0.644 CA 1.482 46 residues pruned to eliminate duplicates Z: 53 37.484 2.168 0.500 0.608 0.942 0.654 CA 1.531 53 residues pruned to eliminate duplicates Z: 24 28.643 2.155 0.601 0.676 0.957 0.783 CA 1.539 24 residues pruned to eliminate duplicates Z: 23 26.860 2.167 0.659 0.612 0.955 0.682 CA 1.501 23 residues pruned to eliminate duplicates Z: 23 30.839 2.168 0.721 0.669 0.955 0.727 CA 1.580 23 residues pruned to eliminate duplicates Z: 34 26.082 2.117 0.659 0.496 0.879 0.667 CB 1.477 34 residues pruned to eliminate duplicates Z: 21 36.062 2.309 0.655 0.894 0.950 0.800 CB 1.593 21 residues pruned to eliminate duplicates Z: 51 46.563 2.205 0.702 0.649 0.960 0.660 CB 1.591 51 residues pruned to eliminate duplicates Z: 23 32.659 2.229 0.757 0.665 0.955 0.682 CA 1.598 23 residues pruned to eliminate duplicates Z: 25 28.571 2.107 0.862 0.637 0.875 0.458 CA 1.494 25 residues pruned to eliminate duplicates Z: 22 24.732 2.120 0.651 0.641 0.905 0.476 CA 1.493 22 residues pruned to eliminate duplicates Z: 27 24.564 2.114 0.652 0.535 0.846 0.500 CB 1.576 27 residues pruned to eliminate duplicates Z: 53 40.099 2.189 0.547 0.624 0.942 0.577 CB 1.551 53 residues pruned to eliminate duplicates Z: 39 35.721 2.180 0.645 0.658 0.947 0.632 CA 1.474 39 residues pruned to eliminate duplicates Z: 52 46.413 2.207 0.689 0.629 1.000 0.627 CA 1.545 52 residues pruned to eliminate duplicates Z: 63 41.542 2.145 0.566 0.587 0.935 0.516 CA 1.544 63 residues pruned to eliminate duplicates Z: 47 39.136 2.158 0.643 0.682 0.935 0.652 CA 1.472 47 residues pruned to eliminate duplicates Z: 54 45.713 2.177 0.718 0.618 0.981 0.509 CB 1.531 54 residues pruned to eliminate duplicates Z: 54 43.883 2.142 0.682 0.632 0.962 0.566 CB 1.536 54 residues pruned to eliminate duplicates Z: 52 41.384 2.172 0.628 0.651 0.941 0.647 CA 1.513 52 residues pruned to eliminate duplicates Z: 44 44.292 2.213 0.752 0.697 1.000 0.605 CA 1.456 44 residues pruned to eliminate duplicates Z: 67 44.322 2.154 0.673 0.584 0.924 0.682 CB 1.512 67 residues pruned to eliminate duplicates Z: 53 42.812 2.188 0.632 0.624 1.000 0.596 CA 1.479 53 residues pruned to eliminate duplicates Z: 35 33.959 2.183 0.692 0.637 0.941 0.735 CA 1.473 35 residues pruned to eliminate duplicates Z: 51 45.566 2.203 0.749 0.672 0.960 0.640 CA 1.487 51 residues pruned to eliminate duplicates Z: 43 40.525 2.189 0.715 0.664 0.952 0.595 CA 1.502 43 residues pruned to eliminate duplicates Z: 50 43.327 2.223 0.639 0.655 0.959 0.612 CA 1.534 50 residues pruned to eliminate duplicates Z: 45 39.157 2.169 0.608 0.693 0.977 0.705 CA 1.452 45 residues pruned to eliminate duplicates Z: 54 42.420 2.169 0.715 0.625 0.943 0.585 CA 1.476 54 residues pruned to eliminate duplicates Z: 53 36.939 2.171 0.545 0.614 0.942 0.577 CA 1.455 53 residues pruned to eliminate duplicates Z: 66 48.459 2.170 0.672 0.597 0.985 0.523 CA 1.534 66 residues pruned to eliminate duplicates Z: 52 42.283 2.186 0.635 0.639 0.980 0.549 CA 1.483 52 residues pruned to eliminate duplicates Z: 53 41.112 2.170 0.681 0.608 0.942 0.538 CA 1.497 53 residues pruned to eliminate duplicates Z: 24 22.410 2.110 0.595 0.552 0.913 0.435 CB 1.447 24 residues pruned to eliminate duplicates Z: 50 45.015 2.234 0.688 0.656 0.939 0.510 CA 1.572 50 residues pruned to eliminate duplicates Z: 53 44.443 2.202 0.657 0.623 0.962 0.519 CA 1.564 53 residues pruned to eliminate duplicates Z: 53 43.757 2.192 0.638 0.629 1.000 0.596 CA 1.497 53 residues pruned to eliminate duplicates Z: 53 42.340 2.170 0.648 0.617 0.981 0.538 CA 1.499 53 residues pruned to eliminate duplicates Z: 53 44.393 2.162 0.696 0.634 0.962 0.577 CB 1.540 53 residues pruned to eliminate duplicates Z: 23 21.629 2.088 0.621 0.516 0.909 0.318 CB 1.474 23 residues pruned to eliminate duplicates Z: 10 8.927 2.047 0.454 0.358 0.889 0.333 CA 1.310 10 residues pruned to eliminate duplicates Z: 53 43.509 2.176 0.692 0.625 0.962 0.577 CB 1.514 53 residues pruned to eliminate duplicates Z: 74 46.693 2.204 0.667 0.558 0.932 0.575 CB 1.509 74 residues pruned to eliminate duplicates Z: 73 49.322 2.225 0.732 0.566 0.944 0.528 CB 1.498 73 residues pruned to eliminate duplicates Z: 74 46.671 2.206 0.726 0.516 0.932 0.589 CB 1.515 74 residues pruned to eliminate duplicates Z: 11 8.753 1.869 0.929 0.362 0.900 0.500 CB 0.989 11 residues pruned to eliminate duplicates Z: 73 46.262 2.201 0.649 0.544 0.944 0.569 CA 1.524 73 residues pruned to eliminate duplicates Z: 73 50.112 2.213 0.764 0.547 0.931 0.486 CB 1.553 73 residues pruned to eliminate duplicates Z: 30 17.196 2.033 0.668 0.265 0.862 0.379 CB 1.428 30 residues pruned to eliminate duplicates Z: 23 21.091 2.211 0.834 0.327 0.864 0.500 CB 1.553 23 residues pruned to eliminate duplicates Z: 19 20.447 2.283 0.758 0.378 0.889 0.611 CB 1.539 19 residues pruned to eliminate duplicates Z: 24 19.700 2.211 0.924 0.257 0.826 0.391 CB 1.543 24 residues pruned to eliminate duplicates Z: 26 20.759 2.166 0.927 0.312 0.840 0.480 CB 1.459 26 residues pruned to eliminate duplicates Z: 21 24.559 2.306 0.989 0.346 0.900 0.550 CB 1.572 21 residues pruned to eliminate duplicates Z: 22 21.148 2.252 0.718 0.298 0.905 0.333 CB 1.654 22 residues pruned to eliminate duplicates Z: 24 21.721 2.244 0.833 0.319 0.870 0.565 CB 1.546 24 residues pruned to eliminate duplicates Z: 22 19.818 2.278 0.755 0.325 0.810 0.476 CB 1.620 22 residues pruned to eliminate duplicates Z: 22 20.896 2.250 0.751 0.350 0.857 0.524 CB 1.588 22 residues pruned to eliminate duplicates Z: 32 24.043 2.159 0.873 0.322 0.871 0.516 CB 1.492 32 residues pruned to eliminate duplicates Z: 33 24.584 2.128 0.606 0.454 0.906 0.375 CB 1.471 33 residues pruned to eliminate duplicates Z: 74 49.170 2.235 0.701 0.545 0.918 0.548 CB 1.578 74 residues pruned to eliminate duplicates Z: 35 19.945 2.130 0.590 0.341 0.824 0.500 CB 1.458 35 residues pruned to eliminate duplicates Z: 24 17.259 2.161 0.692 0.276 0.826 0.435 CB 1.535 24 residues pruned to eliminate duplicates Z: 20 24.031 2.306 0.797 0.381 0.895 0.632 CB 1.688 20 residues pruned to eliminate duplicates Z: 26 15.366 2.113 0.593 0.263 0.880 0.440 CB 1.360 26 residues pruned to eliminate duplicates Z: 86 38.797 2.094 0.670 0.458 0.824 0.424 CA 1.525 86 residues pruned to eliminate duplicates Z: 30 10.169 1.952 0.503 0.197 0.724 0.310 CB 1.276 26 residues pruned to eliminate duplicates Z: 8 8.599 1.537 0.969 0.523 1.000 0.571 CA 1.049 8 residues pruned to eliminate duplicates Z: 18 12.264 1.945 0.463 0.415 0.824 0.471 CB 1.388 18 residues pruned to eliminate duplicates Z: 19 9.118 1.917 0.402 0.286 0.778 0.611 CB 1.308 19 residues pruned to eliminate duplicates Z: 18 7.340 1.923 0.310 0.364 0.647 0.588 CA 1.264 18 residues pruned to eliminate duplicates Z: 16 10.595 2.018 0.340 0.353 0.800 0.467 CA 1.481 16 residues pruned to eliminate duplicates Z: 22 10.466 2.055 0.306 0.266 0.762 0.381 CB 1.458 22 residues pruned to eliminate duplicates Z: 25 9.309 2.047 0.225 0.297 0.792 0.375 CB 1.202 25 residues pruned to eliminate duplicates Z: 29 9.313 1.932 0.333 0.283 0.750 0.357 CB 1.164 29 residues pruned to eliminate duplicates Z: 25 7.209 1.973 0.224 0.303 0.708 0.333 CB 1.072 25 residues pruned to eliminate duplicates Z: 11 6.339 2.061 0.356 0.295 0.800 0.100 CB 1.128 11 residues pruned to eliminate duplicates Z: 27 24.523 2.136 0.236 0.763 0.962 0.808 CB 1.499 27 residues pruned to eliminate duplicates Z: 31 28.730 2.100 0.550 0.667 0.867 0.667 CB 1.594 31 residues pruned to eliminate duplicates Z: 25 23.352 2.121 0.160 0.727 0.958 0.875 CB 1.648 25 residues pruned to eliminate duplicates Z: 32 30.042 2.084 0.446 0.653 0.935 0.645 CB 1.660 32 residues pruned to eliminate duplicates Z: 11 11.503 1.986 0.388 0.477 0.800 0.700 CA 1.688 11 residues pruned to eliminate duplicates Z: 29 27.056 2.151 0.384 0.688 0.964 0.679 CB 1.499 29 residues pruned to eliminate duplicates Z: 10 7.203 1.807 0.599 0.292 0.778 0.333 CA 1.349 10 residues pruned to eliminate duplicates Z: 12 9.303 2.015 0.265 0.385 0.818 0.636 CB 1.519 12 residues pruned to eliminate duplicates Z: 23 19.809 2.200 0.154 0.759 0.864 0.773 CB 1.530 23 residues pruned to eliminate duplicates Z: 29 26.817 2.129 0.647 0.693 0.857 0.571 CB 1.414 29 residues pruned to eliminate duplicates Z: 26 29.939 2.185 0.581 0.724 0.880 0.680 CB 1.609 26 residues pruned to eliminate duplicates Z: 26 30.614 2.148 0.742 0.709 0.880 0.560 CB 1.538 26 residues pruned to eliminate duplicates Z: 25 31.096 2.181 0.703 0.691 0.917 0.542 CB 1.566 25 residues pruned to eliminate duplicates Z: 31 25.952 2.118 0.733 0.569 0.833 0.467 CB 1.450 31 residues pruned to eliminate duplicates Z: 36 34.332 2.188 0.746 0.533 0.886 0.486 CA 1.661 36 residues pruned to eliminate duplicates Z: 31 26.260 2.127 0.656 0.606 0.867 0.567 CB 1.420 31 residues pruned to eliminate duplicates Z: 30 22.448 2.147 0.589 0.561 0.828 0.379 CB 1.391 30 residues pruned to eliminate duplicates Z: 25 31.054 2.176 0.941 0.680 0.833 0.583 CB 1.527 25 residues pruned to eliminate duplicates Z: 26 34.066 2.181 0.843 0.691 0.880 0.560 CB 1.617 26 residues pruned to eliminate duplicates Z: 26 23.937 1.997 0.764 0.644 0.880 0.480 CB 1.350 26 residues pruned to eliminate duplicates Z: 24 31.408 2.198 0.770 0.712 0.913 0.565 CB 1.521 24 residues pruned to eliminate duplicates Z: 25 34.298 2.186 0.892 0.704 0.917 0.417 CB 1.534 25 residues pruned to eliminate duplicates Z: 25 27.104 2.125 0.758 0.674 0.917 0.500 CB 1.376 25 residues pruned to eliminate duplicates Z: 26 31.070 2.178 0.759 0.684 0.920 0.440 CB 1.488 26 residues pruned to eliminate duplicates Z: 25 26.417 2.144 0.647 0.725 0.833 0.583 CB 1.496 24 residues pruned to eliminate duplicates Z: 17 33.054 2.259 0.839 0.859 0.938 0.438 CB 1.561 17 residues pruned to eliminate duplicates Z: 22 10.158 1.929 0.130 0.297 0.905 0.476 CB 1.410 22 residues pruned to eliminate duplicates Z: 35 15.796 1.969 0.209 0.362 0.912 0.559 CB 1.447 35 residues pruned to eliminate duplicates Z: 32 16.400 1.962 0.275 0.358 0.935 0.516 CB 1.467 32 residues pruned to eliminate duplicates Z: 30 9.452 1.819 0.160 0.292 0.828 0.379 CB 1.269 30 residues pruned to eliminate duplicates Z: 34 15.639 2.009 0.180 0.345 0.939 0.515 CB 1.447 34 residues pruned to eliminate duplicates Z: 35 15.012 1.949 0.287 0.345 0.882 0.441 CB 1.377 35 residues pruned to eliminate duplicates Z: 36 14.757 1.947 0.190 0.323 0.943 0.457 CB 1.386 36 residues pruned to eliminate duplicates Z: 22 14.533 1.971 0.455 0.388 0.952 0.429 CB 1.308 22 residues pruned to eliminate duplicates Z: 30 11.877 1.852 0.288 0.334 0.793 0.379 CB 1.398 30 residues pruned to eliminate duplicates Z: 18 12.763 1.968 0.362 0.388 0.882 0.529 CB 1.473 18 residues pruned to eliminate duplicates Z: 22 12.033 1.893 0.377 0.326 0.952 0.571 CB 1.280 22 residues pruned to eliminate duplicates Z: 38 14.915 1.942 0.222 0.325 0.919 0.459 CB 1.364 38 residues pruned to eliminate duplicates Z: 19 12.482 1.956 0.304 0.381 0.889 0.389 CA 1.472 19 residues pruned to eliminate duplicates Z: 21 10.957 1.939 0.209 0.354 0.800 0.450 CA 1.529 21 residues pruned to eliminate duplicates Z: 36 15.268 1.978 0.239 0.387 0.857 0.543 CA 1.384 36 residues pruned to eliminate duplicates Z: 35 15.432 1.990 0.228 0.361 0.882 0.471 CB 1.425 35 residues pruned to eliminate duplicates Z: 38 15.838 1.938 0.232 0.336 0.919 0.405 CB 1.419 38 residues pruned to eliminate duplicates Z: 29 11.275 1.940 0.226 0.283 0.857 0.429 CB 1.334 29 residues pruned to eliminate duplicates Z: 26 12.870 1.962 0.327 0.304 0.880 0.400 CB 1.398 26 residues pruned to eliminate duplicates Z: 29 13.398 1.923 0.330 0.351 0.857 0.571 CB 1.357 29 residues pruned to eliminate duplicates Z: 7 3.871 1.976 0.327 0.216 0.667 0.167 CA 1.263 7 residues pruned to eliminate duplicates Z: 32 13.709 1.951 0.296 0.369 0.839 0.484 CB 1.336 32 residues pruned to eliminate duplicates 7 1.757 1.812 -0.162 0.220 0.667 0.167 CA 0.984 ? Z: 14 6.895 1.913 0.024 0.349 0.923 0.462 CA 1.246 14 residues pruned to eliminate duplicates Z: 35 15.764 1.994 0.278 0.367 0.853 0.471 CB 1.434 35 residues pruned to eliminate duplicates Z: 18 10.898 2.000 0.151 0.398 0.882 0.529 CB 1.449 18 residues pruned to eliminate duplicates Z: 35 13.683 1.987 0.185 0.329 0.882 0.471 CB 1.363 35 residues pruned to eliminate duplicates Z: 36 15.056 1.972 0.185 0.325 0.914 0.514 CB 1.444 36 residues pruned to eliminate duplicates Z: 19 8.985 2.003 0.197 0.372 0.722 0.389 CB 1.403 19 residues pruned to eliminate duplicates Z: 15 10.109 1.993 0.140 0.485 0.857 0.500 CA 1.409 15 residues pruned to eliminate duplicates Z: 6 4.307 1.583 0.292 0.433 0.800 0.200 CA 1.262 7 residues pruned to eliminate duplicates Z: 7 3.818 1.560 0.323 0.481 0.833 0.500 N 0.924 7 residues pruned to eliminate duplicates Z: 19 10.899 1.956 0.196 0.374 0.944 0.611 CB 1.330 19 residues pruned to eliminate duplicates 603 residues left after pruning, divided into chains as follows: A: 10 B: 9 C: 6 D: 6 E: 6 F: 7 G: 6 H: 6 I: 10 J: 7 K: 9 L: 7 M: 12 N: 10 O: 20 P: 15 Q: 12 R: 6 S: 8 T: 50 U: 33 V: 10 W: 109 X: 62 Y: 21 Z: 8 Z: 103 Z: 35 CC for partial structure against native data = 22.27 % ------------------------------------------------------------------------------ Global autotracing cycle 8 = 0.300, Contrast = 0.410, Connect. = 0.685 for dens.mod. cycle 1 = 0.300, Contrast = 0.473, Connect. = 0.708 for dens.mod. cycle 2 = 0.300, Contrast = 0.550, Connect. = 0.742 for dens.mod. cycle 3 = 0.300, Contrast = 0.556, Connect. = 0.746 for dens.mod. cycle 4 = 0.300, Contrast = 0.563, Connect. = 0.750 for dens.mod. cycle 5 = 0.300, Contrast = 0.566, Connect. = 0.754 for dens.mod. cycle 6 = 0.300, Contrast = 0.570, Connect. = 0.756 for dens.mod. cycle 7 = 0.300, Contrast = 0.571, Connect. = 0.758 for dens.mod. cycle 8 = 0.300, Contrast = 0.572, Connect. = 0.760 for dens.mod. cycle 9 = 0.300, Contrast = 0.573, Connect. = 0.761 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6670 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1202 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 38.118 2.142 0.719 0.925 0.952 0.810 CB 1.664 B: 11 20.675 2.040 0.603 0.879 1.000 0.800 CB 1.449 C: 9 21.629 2.190 0.622 0.905 1.000 0.750 CB 1.532 D: 22 37.404 2.191 0.761 0.898 1.000 0.905 CB 1.513 E: 21 41.872 2.185 0.986 0.920 1.000 0.950 CB 1.520 22 residues pruned to eliminate duplicates F: 13 17.335 1.976 0.621 0.893 0.917 0.583 CB 1.223 11 residues pruned to eliminate duplicates G: 21 33.085 2.282 0.538 0.864 1.000 0.800 CB 1.546 20 residues pruned to eliminate duplicates H: 20 14.923 1.887 0.506 0.450 0.842 0.632 CB 1.505 I: 8 3.480 1.686 0.273 0.340 0.857 0.429 CB 0.851 J: 21 29.365 2.235 0.404 0.884 0.950 0.700 CB 1.591 K: 21 35.852 2.313 0.456 0.921 1.000 0.800 CA 1.676 21 residues pruned to eliminate duplicates L: 24 15.169 1.958 0.390 0.463 0.870 0.522 CB 1.388 M: 21 34.189 2.260 0.681 0.862 1.000 0.600 CB 1.477 21 residues pruned to eliminate duplicates N: 7 5.541 1.797 0.276 0.485 1.000 0.667 CB 1.001 7 residues pruned to eliminate duplicates O: 23 31.775 2.090 0.529 0.895 0.955 0.727 CA 1.593 22 residues pruned to eliminate duplicates P: 20 36.556 2.304 0.495 0.912 1.000 0.947 CA 1.724 20 residues pruned to eliminate duplicates Q: 11 18.021 2.038 0.508 0.901 1.000 0.700 CB 1.324 11 residues pruned to eliminate duplicates R: 30 21.307 2.017 0.702 0.485 0.793 0.517 CA 1.475 S: 8 3.324 1.777 0.177 0.359 1.000 0.429 CB 0.699 8 residues pruned to eliminate duplicates T: 10 18.590 2.088 0.464 0.827 1.000 0.889 CA 1.528 10 residues pruned to eliminate duplicates U: 24 15.186 1.946 0.362 0.434 0.913 0.348 CB 1.400 25 residues pruned to eliminate duplicates V: 19 23.766 2.153 0.238 0.905 1.000 0.778 CB 1.496 19 residues pruned to eliminate duplicates W: 19 23.155 2.202 0.334 0.891 0.889 0.667 CB 1.503 19 residues pruned to eliminate duplicates X: 21 35.601 2.226 0.723 0.865 1.000 0.650 CB 1.521 21 residues pruned to eliminate duplicates Y: 17 31.514 2.271 0.919 0.889 0.812 0.562 CB 1.602 17 residues pruned to eliminate duplicates Z: 21 37.523 2.298 0.661 0.901 0.950 0.450 CB 1.651 21 residues pruned to eliminate duplicates Z: 19 30.843 2.233 0.606 0.905 0.944 0.778 CB 1.527 19 residues pruned to eliminate duplicates Z: 12 17.090 2.005 0.620 0.859 0.909 0.909 CB 1.284 12 residues pruned to eliminate duplicates Z: 11 5.937 1.639 0.306 0.451 0.900 0.800 CB 1.025 11 residues pruned to eliminate duplicates Z: 21 41.999 2.231 0.868 0.890 1.000 0.700 CB 1.621 21 residues pruned to eliminate duplicates Z: 6 5.933 1.808 0.106 0.752 0.800 0.800 N 1.325 6 residues pruned to eliminate duplicates Z: 12 17.164 2.037 0.571 0.919 0.818 0.455 CB 1.393 12 residues pruned to eliminate duplicates Z: 21 35.927 2.284 0.499 0.903 1.000 0.850 CB 1.671 21 residues pruned to eliminate duplicates Z: 10 11.064 2.059 0.283 0.619 0.889 0.667 CB 1.403 Z: 6 7.403 2.071 0.099 0.719 0.800 0.600 CA 1.491 Z: 18 28.390 2.187 0.580 0.895 0.941 0.765 CB 1.517 18 residues pruned to eliminate duplicates Z: 22 36.221 2.161 0.624 0.912 0.952 0.667 CB 1.674 22 residues pruned to eliminate duplicates Z: 51 33.622 2.099 0.738 0.499 0.880 0.580 CA 1.483 42 residues pruned to eliminate duplicates Z: 6 5.019 1.742 0.366 0.679 0.600 0.600 CA 1.334 6 residues pruned to eliminate duplicates Z: 11 16.351 2.129 0.582 0.899 0.900 0.800 CB 1.219 10 residues pruned to eliminate duplicates Z: 14 10.702 1.754 0.587 0.379 0.923 0.462 CB 1.313 Z: 17 20.869 2.021 0.644 0.627 0.938 0.438 CB 1.486 17 residues pruned to eliminate duplicates Z: 8 12.000 1.886 0.919 0.601 0.857 0.857 CA 1.328 Z: 19 28.641 2.148 0.559 0.908 0.944 0.722 CB 1.516 20 residues pruned to eliminate duplicates Z: 18 30.318 2.265 0.551 0.898 1.000 0.765 CB 1.497 18 residues pruned to eliminate duplicates Z: 10 13.742 1.791 0.554 0.818 0.889 0.556 C 1.404 10 residues pruned to eliminate duplicates Z: 22 13.179 1.964 0.289 0.464 0.762 0.571 CB 1.547 22 residues pruned to eliminate duplicates Z: 22 38.752 2.128 0.695 0.931 1.000 0.667 CB 1.638 23 residues pruned to eliminate duplicates Z: 22 38.054 2.152 0.712 0.917 1.000 0.810 CB 1.590 22 residues pruned to eliminate duplicates Z: 35 21.582 1.933 0.731 0.405 0.853 0.529 CB 1.433 12 residues pruned to eliminate duplicates Z: 18 31.026 2.136 0.754 0.926 1.000 0.706 CB 1.408 18 residues pruned to eliminate duplicates Z: 54 24.142 1.991 0.526 0.443 0.830 0.472 CA 1.394 10 residues pruned to eliminate duplicates Z: 21 43.811 2.283 0.931 0.925 0.950 0.600 CB 1.642 21 residues pruned to eliminate duplicates Z: 12 8.850 1.978 0.466 0.451 0.727 0.545 CA 1.331 12 residues pruned to eliminate duplicates Z: 12 14.342 1.930 0.543 0.882 1.000 0.818 CB 1.051 12 residues pruned to eliminate duplicates Z: 9 10.276 1.770 0.564 0.562 1.000 0.750 CA 1.236 9 residues pruned to eliminate duplicates Z: 12 3.144 1.551 0.985 0.357 0.636 0.455 CB 0.564 12 residues pruned to eliminate duplicates Z: 21 41.150 2.316 0.805 0.921 0.950 0.650 CB 1.631 21 residues pruned to eliminate duplicates Z: 10 18.491 2.283 0.272 0.884 1.000 0.556 CB 1.533 10 residues pruned to eliminate duplicates Z: 15 10.321 2.046 0.305 0.433 0.786 0.429 CB 1.410 Z: 20 32.210 2.220 0.689 0.902 0.947 0.632 CB 1.483 19 residues pruned to eliminate duplicates Z: 23 38.747 2.110 0.702 0.915 1.000 0.727 CB 1.626 22 residues pruned to eliminate duplicates Z: 55 32.453 2.114 0.589 0.542 0.852 0.630 CA 1.481 55 residues pruned to eliminate duplicates Z: 12 10.629 1.684 0.759 0.433 0.909 0.455 CA 1.276 17 residues pruned to eliminate duplicates Z: 10 7.881 1.972 0.261 0.478 0.889 0.778 CB 1.215 Z: 12 13.673 1.996 0.758 0.480 0.909 0.636 CA 1.319 12 residues pruned to eliminate duplicates Z: 16 29.619 2.073 0.897 0.925 0.867 0.533 CB 1.575 16 residues pruned to eliminate duplicates Z: 16 16.501 2.003 0.361 0.502 1.000 0.467 CB 1.559 16 residues pruned to eliminate duplicates Z: 20 25.563 2.164 0.341 0.904 1.000 0.737 CB 1.440 20 residues pruned to eliminate duplicates Z: 11 19.714 2.022 0.530 0.860 1.000 0.600 CB 1.482 11 residues pruned to eliminate duplicates Z: 23 25.775 1.934 0.730 0.866 0.909 0.455 CB 1.323 23 residues pruned to eliminate duplicates Z: 18 8.602 1.849 0.318 0.359 0.706 0.412 N 1.412 18 residues pruned to eliminate duplicates Z: 15 19.408 1.952 0.577 0.798 0.857 0.643 CA 1.515 15 residues pruned to eliminate duplicates Z: 22 32.933 2.143 0.772 0.899 0.857 0.571 CB 1.578 22 residues pruned to eliminate duplicates Z: 18 21.414 2.017 0.618 0.928 1.000 0.824 CA 1.115 Z: 6 8.502 1.979 0.527 0.646 0.800 0.600 CB 1.372 Z: 32 17.521 2.112 0.637 0.332 0.806 0.452 CB 1.356 10 residues pruned to eliminate duplicates Z: 13 12.004 2.012 0.624 0.487 0.833 0.417 CB 1.289 Z: 13 17.225 1.881 0.543 0.622 1.000 0.500 N 1.528 13 residues pruned to eliminate duplicates Z: 13 14.991 1.863 0.284 0.844 0.917 0.583 CB 1.468 13 residues pruned to eliminate duplicates Z: 73 44.416 2.165 0.716 0.554 0.903 0.569 CB 1.482 54 residues pruned to eliminate duplicates Z: 19 32.271 2.146 0.803 0.923 0.944 0.611 CB 1.463 19 residues pruned to eliminate duplicates Z: 45 19.070 1.979 0.326 0.431 0.864 0.523 CA 1.362 44 residues pruned to eliminate duplicates Z: 47 22.513 1.970 0.548 0.461 0.783 0.435 CA 1.447 47 residues pruned to eliminate duplicates Z: 9 11.054 1.879 0.261 0.891 1.000 1.000 CA 1.186 Z: 12 14.735 1.958 0.761 0.661 0.818 0.636 CB 1.357 13 residues pruned to eliminate duplicates Z: 19 26.170 2.054 0.754 0.939 1.000 0.556 CA 1.190 18 residues pruned to eliminate duplicates Z: 10 8.778 1.863 0.292 0.474 0.778 0.667 CA 1.605 6 residues pruned to eliminate duplicates Z: 23 42.483 2.089 0.876 0.895 1.000 0.591 CA 1.657 23 residues pruned to eliminate duplicates Z: 11 8.803 2.044 -0.228 0.889 1.000 1.000 CA 1.270 11 residues pruned to eliminate duplicates Z: 32 23.515 2.053 0.655 0.429 0.903 0.484 CA 1.481 34 residues pruned to eliminate duplicates Z: 13 16.458 1.902 0.615 0.920 0.833 0.583 CB 1.307 13 residues pruned to eliminate duplicates Z: 11 10.456 1.756 0.746 0.404 0.800 0.600 CB 1.491 Z: 63 36.724 2.090 0.525 0.562 0.919 0.597 CA 1.499 63 residues pruned to eliminate duplicates Z: 38 27.983 2.042 0.604 0.621 0.946 0.676 CA 1.324 18 residues pruned to eliminate duplicates Z: 11 14.444 1.973 0.302 0.890 0.900 0.500 CA 1.422 11 residues pruned to eliminate duplicates Z: 57 34.224 2.056 0.707 0.468 0.929 0.607 CA 1.450 57 residues pruned to eliminate duplicates Z: 23 33.992 2.104 0.536 0.903 1.000 0.727 CA 1.597 23 residues pruned to eliminate duplicates Z: 20 12.525 1.921 0.620 0.463 0.842 0.474 CB 1.138 Z: 20 15.284 2.019 0.542 0.325 0.895 0.368 CA 1.527 20 residues pruned to eliminate duplicates Z: 10 18.489 2.059 0.787 0.580 1.000 0.778 N 1.551 10 residues pruned to eliminate duplicates Z: 19 7.265 1.767 0.486 0.348 0.778 0.389 CB 0.989 11 residues pruned to eliminate duplicates Z: 11 14.035 1.989 0.338 0.810 1.000 0.800 CB 1.273 11 residues pruned to eliminate duplicates Z: 10 19.758 2.150 0.620 0.895 0.889 0.667 CB 1.525 10 residues pruned to eliminate duplicates Z: 9 19.876 2.101 0.779 0.697 1.000 0.750 CA 1.570 9 residues pruned to eliminate duplicates Z: 15 25.972 2.062 0.807 0.718 1.000 0.714 CB 1.529 15 residues pruned to eliminate duplicates Z: 19 30.746 2.186 0.735 0.875 0.889 0.667 CB 1.564 19 residues pruned to eliminate duplicates Z: 31 22.916 2.004 0.495 0.715 0.967 0.867 CA 1.189 31 residues pruned to eliminate duplicates Z: 8 7.164 1.703 0.397 0.715 1.000 0.714 CB 0.936 Z: 25 14.623 2.051 0.354 0.411 0.875 0.625 CA 1.348 25 residues pruned to eliminate duplicates Z: 11 14.427 1.940 0.571 0.788 0.900 0.700 CB 1.292 11 residues pruned to eliminate duplicates Z: 27 19.019 2.130 0.972 0.316 0.846 0.385 CB 1.286 27 residues pruned to eliminate duplicates Z: 10 8.281 1.797 0.286 0.598 0.889 0.556 CA 1.224 8 residues pruned to eliminate duplicates Z: 6 3.870 1.802 0.140 0.461 1.000 0.800 CB 0.877 6 residues pruned to eliminate duplicates Z: 8 14.994 1.964 0.483 0.857 1.000 0.857 CA 1.434 8 residues pruned to eliminate duplicates Z: 8 7.111 1.799 0.751 0.586 0.857 0.571 CB 0.916 Z: 7 3.287 1.726 0.125 0.249 0.667 0.333 CB 1.383 Z: 18 17.295 2.044 0.410 0.559 0.882 0.647 CA 1.558 17 residues pruned to eliminate duplicates Z: 8 4.442 1.870 -0.225 0.638 0.714 0.571 CB 1.425 Z: 7 4.858 2.050 -0.097 0.670 0.833 0.667 CB 1.099 Z: 43 27.235 2.088 0.431 0.547 0.929 0.548 CA 1.447 43 residues pruned to eliminate duplicates Z: 12 15.862 2.029 0.211 0.877 0.909 0.818 CB 1.556 12 residues pruned to eliminate duplicates Z: 11 7.506 1.835 0.420 0.438 0.900 0.700 CB 1.079 11 residues pruned to eliminate duplicates Z: 21 18.323 2.130 0.564 0.500 0.850 0.550 CB 1.447 21 residues pruned to eliminate duplicates 6 0.696 1.139 0.273 0.290 0.400 0.400 CA 0.680 ? Z: 6 2.835 1.553 0.519 0.386 0.600 0.600 CB 1.010 5 residues pruned to eliminate duplicates Z: 16 24.426 2.045 0.999 0.644 0.933 0.467 CB 1.445 16 residues pruned to eliminate duplicates Z: 7 13.288 1.981 0.743 0.600 0.833 0.833 N 1.713 Z: 23 14.411 1.941 0.628 0.385 0.727 0.545 CB 1.511 23 residues pruned to eliminate duplicates Z: 7 7.041 1.790 0.328 0.690 0.667 0.333 N 1.524 7 residues pruned to eliminate duplicates Z: 10 4.351 1.540 0.068 0.375 0.778 0.667 CB 1.295 Z: 7 12.674 1.840 0.659 0.845 1.000 1.000 CA 1.260 7 residues pruned to eliminate duplicates Z: 13 16.381 2.043 0.520 0.824 0.750 0.500 CA 1.533 13 residues pruned to eliminate duplicates Z: 6 6.264 1.865 0.281 0.626 1.000 0.800 CB 1.042 Z: 7 9.583 1.861 0.623 0.734 0.833 0.833 CB 1.260 7 residues pruned to eliminate duplicates Z: 21 52.556 2.351 1.056 0.943 1.000 0.650 CB 1.685 21 residues pruned to eliminate duplicates Z: 11 7.799 1.819 0.237 0.451 0.900 0.500 CB 1.281 11 residues pruned to eliminate duplicates Z: 13 9.408 2.103 0.113 0.545 0.833 0.583 CB 1.333 13 residues pruned to eliminate duplicates Z: 10 6.784 1.787 0.073 0.564 1.000 0.667 CB 1.109 10 residues pruned to eliminate duplicates Z: 17 26.160 2.212 0.600 0.900 0.875 0.688 CB 1.509 17 residues pruned to eliminate duplicates Z: 21 42.379 2.210 0.937 0.933 1.000 0.600 CB 1.544 21 residues pruned to eliminate duplicates Z: 9 5.736 1.655 0.001 0.469 1.000 0.625 N 1.263 9 residues pruned to eliminate duplicates Z: 11 5.687 1.926 0.268 0.290 0.800 0.400 CB 1.165 Z: 27 6.604 1.882 0.169 0.262 0.692 0.385 CB 1.116 Z: 10 7.034 1.979 0.571 0.166 0.778 0.333 N 1.456 Z: 8 9.433 1.988 0.072 0.579 1.000 0.429 CA 1.552 8 residues pruned to eliminate duplicates Z: 10 5.793 1.698 0.085 0.538 0.889 0.667 CA 1.137 9 residues pruned to eliminate duplicates Z: 16 9.999 1.980 0.398 0.307 0.867 0.600 CB 1.335 16 residues pruned to eliminate duplicates Z: 20 45.149 2.327 0.872 0.941 1.000 0.895 CB 1.649 20 residues pruned to eliminate duplicates Z: 11 11.017 1.798 0.307 0.796 0.800 0.500 CB 1.429 11 residues pruned to eliminate duplicates Z: 22 32.799 2.105 0.493 0.905 1.000 0.810 CB 1.621 22 residues pruned to eliminate duplicates Z: 30 26.598 2.153 0.585 0.503 0.931 0.793 CB 1.550 32 residues pruned to eliminate duplicates Z: 10 11.487 1.957 0.737 0.561 0.778 0.667 CB 1.364 10 residues pruned to eliminate duplicates Z: 6 8.774 1.604 1.092 0.823 0.800 0.600 CA 1.105 6 residues pruned to eliminate duplicates Z: 33 12.959 1.937 0.233 0.351 0.812 0.375 CB 1.387 15 residues pruned to eliminate duplicates Z: 37 22.122 2.023 0.439 0.491 0.917 0.667 CA 1.394 36 residues pruned to eliminate duplicates Z: 14 17.776 2.135 0.082 0.881 1.000 0.846 CB 1.545 14 residues pruned to eliminate duplicates Z: 21 38.861 2.299 0.626 0.913 1.000 0.850 CB 1.645 21 residues pruned to eliminate duplicates Z: 17 17.892 1.973 0.558 0.822 0.875 0.500 CA 1.258 17 residues pruned to eliminate duplicates Z: 21 17.576 2.090 0.388 0.472 0.950 0.700 CB 1.467 22 residues pruned to eliminate duplicates Z: 31 34.397 2.141 0.620 0.703 0.967 0.800 CA 1.557 31 residues pruned to eliminate duplicates Z: 19 27.734 2.095 0.553 0.746 1.000 0.889 CA 1.614 19 residues pruned to eliminate duplicates Z: 20 38.044 2.182 0.979 0.939 0.842 0.579 CB 1.668 21 residues pruned to eliminate duplicates Z: 11 6.166 1.902 0.183 0.398 0.800 0.300 CB 1.207 11 residues pruned to eliminate duplicates Z: 7 3.197 1.561 0.383 0.469 1.000 0.333 N 0.624 Z: 73 48.125 2.183 0.670 0.566 0.931 0.597 CB 1.569 73 residues pruned to eliminate duplicates Z: 7 4.492 1.744 0.320 0.248 0.833 0.500 N 1.278 Z: 9 8.433 1.911 0.127 0.501 0.875 0.750 CB 1.579 9 residues pruned to eliminate duplicates Z: 66 39.513 2.124 0.565 0.577 0.923 0.631 CB 1.483 79 residues pruned to eliminate duplicates Z: 13 4.459 1.807 0.544 0.295 0.667 0.333 CB 0.870 13 residues pruned to eliminate duplicates Z: 21 25.218 1.997 0.728 0.903 0.900 0.750 CA 1.294 21 residues pruned to eliminate duplicates Z: 14 26.707 2.143 0.707 0.850 0.923 0.462 CB 1.625 14 residues pruned to eliminate duplicates Z: 8 5.832 1.713 0.195 0.415 1.000 0.571 CA 1.176 Z: 16 7.831 1.943 0.220 0.323 0.733 0.533 CA 1.413 16 residues pruned to eliminate duplicates Z: 11 11.163 1.930 0.331 0.496 0.900 0.500 CB 1.533 11 residues pruned to eliminate duplicates Z: 31 26.252 2.130 0.553 0.512 0.933 0.700 CA 1.534 31 residues pruned to eliminate duplicates Z: 16 21.770 1.987 0.861 0.888 0.867 0.333 CA 1.263 16 residues pruned to eliminate duplicates Z: 14 9.774 1.794 0.303 0.541 0.923 0.692 N 1.206 14 residues pruned to eliminate duplicates Z: 14 9.998 2.001 0.332 0.411 0.769 0.538 CB 1.486 12 residues pruned to eliminate duplicates Z: 8 7.061 1.771 0.228 0.763 0.857 0.714 CA 1.133 8 residues pruned to eliminate duplicates Z: 13 5.266 1.555 0.582 0.338 0.833 0.750 CA 0.885 13 residues pruned to eliminate duplicates Z: 15 8.598 1.931 0.152 0.423 0.857 0.643 CB 1.305 14 residues pruned to eliminate duplicates Z: 8 12.280 1.865 0.676 0.655 0.857 0.714 N 1.499 Z: 6 6.497 1.651 0.433 0.757 1.000 1.000 CA 0.977 6 residues pruned to eliminate duplicates Z: 11 16.520 2.004 0.551 0.497 1.000 0.500 CA 1.686 11 residues pruned to eliminate duplicates Z: 20 40.058 2.315 0.742 0.926 1.000 0.789 CB 1.598 20 residues pruned to eliminate duplicates Z: 8 13.242 2.022 0.806 0.831 0.714 0.571 CA 1.442 8 residues pruned to eliminate duplicates Z: 8 5.938 1.853 0.326 0.474 0.714 0.429 CB 1.314 7 residues pruned to eliminate duplicates Z: 12 9.399 1.733 0.579 0.423 1.000 0.636 CB 1.122 12 residues pruned to eliminate duplicates Z: 7 5.236 1.870 0.676 0.372 0.833 0.167 CB 0.939 7 residues pruned to eliminate duplicates Z: 6 5.013 1.395 0.889 0.516 0.800 0.600 CA 1.047 Z: 8 3.737 1.635 -0.225 0.607 1.000 0.714 CB 1.007 7 residues pruned to eliminate duplicates Z: 49 46.589 2.194 0.746 0.673 0.958 0.583 CA 1.561 54 residues pruned to eliminate duplicates Z: 40 36.779 2.209 0.660 0.624 0.923 0.744 CA 1.549 40 residues pruned to eliminate duplicates Z: 34 18.932 2.007 0.880 0.300 0.788 0.515 CB 1.386 34 residues pruned to eliminate duplicates Z: 11 4.889 1.730 0.098 0.531 0.900 0.600 CB 0.878 8 residues pruned to eliminate duplicates Z: 14 8.198 1.885 0.402 0.355 0.769 0.385 CB 1.308 Z: 18 9.566 1.965 0.268 0.271 0.824 0.529 CA 1.467 18 residues pruned to eliminate duplicates Z: 10 3.224 1.643 0.547 0.253 0.667 0.222 CB 0.842 Z: 8 10.735 2.080 0.161 0.573 0.857 0.714 CB 1.827 8 residues pruned to eliminate duplicates Z: 23 19.083 2.069 0.620 0.514 0.818 0.636 CA 1.463 23 residues pruned to eliminate duplicates Z: 8 8.970 1.777 0.537 0.473 1.000 0.714 CB 1.275 8 residues pruned to eliminate duplicates Z: 9 3.398 1.899 0.459 0.187 0.625 0.375 CB 1.010 9 residues pruned to eliminate duplicates Z: 17 9.400 1.943 0.241 0.359 0.875 0.562 CB 1.297 15 residues pruned to eliminate duplicates Z: 6 2.719 1.774 0.387 0.424 0.600 0.400 CA 0.891 Z: 17 11.533 2.085 0.478 0.372 0.750 0.500 CB 1.431 18 residues pruned to eliminate duplicates Z: 13 4.221 1.979 0.064 0.407 0.583 0.417 CB 1.094 13 residues pruned to eliminate duplicates Z: 12 14.433 1.936 0.826 0.486 0.909 0.727 CA 1.373 12 residues pruned to eliminate duplicates Z: 9 12.384 2.047 0.502 0.601 0.875 0.750 CB 1.478 9 residues pruned to eliminate duplicates Z: 10 12.847 1.873 0.273 0.820 1.000 0.667 CB 1.361 10 residues pruned to eliminate duplicates Z: 41 20.821 1.973 0.507 0.431 0.850 0.675 CB 1.399 41 residues pruned to eliminate duplicates Z: 8 8.753 1.814 0.532 0.633 0.857 0.714 CB 1.226 Z: 6 12.158 2.065 0.118 0.805 1.000 0.800 C 1.804 Z: 13 24.169 2.240 0.554 0.852 1.000 0.833 CB 1.483 13 residues pruned to eliminate duplicates Z: 19 29.458 2.144 0.648 0.858 1.000 0.722 CB 1.447 19 residues pruned to eliminate duplicates Z: 12 13.581 1.887 0.225 0.845 0.909 0.909 CB 1.449 12 residues pruned to eliminate duplicates Z: 8 5.174 1.428 0.799 0.382 0.857 0.714 CA 1.007 Z: 12 15.750 2.026 0.560 0.833 0.909 0.545 CB 1.239 12 residues pruned to eliminate duplicates Z: 18 8.566 1.780 0.408 0.314 0.824 0.471 CA 1.235 18 residues pruned to eliminate duplicates Z: 23 16.689 2.179 0.620 0.273 0.864 0.545 CB 1.509 23 residues pruned to eliminate duplicates Z: 12 9.170 1.851 0.217 0.811 0.909 0.818 CB 1.030 12 residues pruned to eliminate duplicates Z: 28 37.027 2.196 0.736 0.677 0.963 0.667 CA 1.650 28 residues pruned to eliminate duplicates Z: 27 17.472 1.908 0.295 0.595 0.885 0.538 CA 1.432 27 residues pruned to eliminate duplicates Z: 7 6.780 1.536 0.726 0.862 1.000 0.833 CA 0.767 7 residues pruned to eliminate duplicates Z: 7 3.523 1.745 0.485 0.250 0.667 0.500 CA 1.110 4 residues pruned to eliminate duplicates Z: 9 11.377 1.878 0.702 0.661 1.000 0.875 CB 1.084 8 residues pruned to eliminate duplicates Z: 23 38.019 2.081 0.867 0.901 0.909 0.318 CB 1.638 23 residues pruned to eliminate duplicates Z: 20 40.844 2.306 0.771 0.914 1.000 0.526 CB 1.622 20 residues pruned to eliminate duplicates Z: 14 10.019 1.869 0.368 0.555 0.769 0.538 CA 1.339 14 residues pruned to eliminate duplicates Z: 10 12.973 1.936 0.660 0.750 0.889 0.556 CB 1.211 10 residues pruned to eliminate duplicates Z: 20 8.706 1.777 0.319 0.348 0.947 0.474 CB 1.061 21 residues pruned to eliminate duplicates Z: 18 9.805 2.065 0.195 0.301 0.824 0.471 CA 1.460 18 residues pruned to eliminate duplicates Z: 9 14.188 2.121 0.334 0.830 1.000 0.500 CA 1.333 9 residues pruned to eliminate duplicates Z: 19 28.624 2.133 0.777 0.891 0.944 0.889 CB 1.356 19 residues pruned to eliminate duplicates Z: 62 44.952 2.156 0.704 0.606 0.951 0.574 CB 1.490 62 residues pruned to eliminate duplicates Z: 8 13.951 1.886 0.961 0.835 0.857 0.429 CA 1.245 15 residues pruned to eliminate duplicates Z: 9 20.578 1.824 1.210 0.901 1.000 0.875 CA 1.288 8 residues pruned to eliminate duplicates Z: 7 3.616 1.750 -0.031 0.458 0.833 0.500 CB 1.090 Z: 8 4.121 1.809 0.912 0.236 0.571 0.286 N 1.071 8 residues pruned to eliminate duplicates Z: 8 13.095 1.898 0.563 0.611 1.000 0.571 CB 1.501 14 residues pruned to eliminate duplicates Z: 37 19.663 1.990 0.361 0.451 0.889 0.583 CA 1.431 37 residues pruned to eliminate duplicates Z: 83 46.727 2.172 0.699 0.504 0.927 0.537 CB 1.503 86 residues pruned to eliminate duplicates Z: 8 3.405 1.502 0.276 0.409 0.714 0.571 CB 1.034 Z: 7 5.125 1.877 -0.033 0.450 1.000 0.667 CB 1.214 7 residues pruned to eliminate duplicates Z: 12 10.520 1.909 0.560 0.505 0.909 0.636 CB 1.166 12 residues pruned to eliminate duplicates Z: 11 5.515 1.776 0.093 0.438 0.700 0.400 N 1.369 5 residues pruned to eliminate duplicates Z: 12 20.998 2.051 0.616 0.871 1.000 0.727 CB 1.393 12 residues pruned to eliminate duplicates Z: 6 3.436 1.486 0.648 0.299 0.800 0.800 CB 0.982 Z: 12 11.599 1.961 0.417 0.573 0.818 0.636 N 1.434 12 residues pruned to eliminate duplicates Z: 13 7.517 1.674 0.275 0.420 1.000 0.667 CB 1.105 13 residues pruned to eliminate duplicates Z: 25 17.743 2.020 0.542 0.362 0.917 0.625 CB 1.472 25 residues pruned to eliminate duplicates Z: 20 11.838 1.924 0.621 0.479 0.842 0.316 CB 1.056 20 residues pruned to eliminate duplicates Z: 11 10.240 2.072 0.238 0.852 1.000 0.700 CB 0.934 11 residues pruned to eliminate duplicates Z: 22 39.751 2.152 0.721 0.930 1.000 0.619 CB 1.638 22 residues pruned to eliminate duplicates Z: 20 35.077 2.204 0.783 0.908 1.000 0.684 CB 1.455 21 residues pruned to eliminate duplicates Z: 7 4.331 1.470 0.966 0.351 0.667 0.333 CA 1.078 Z: 6 7.867 1.624 0.530 0.551 1.000 0.800 CB 1.347 Z: 21 17.848 1.995 0.423 0.466 0.900 0.400 CA 1.618 22 residues pruned to eliminate duplicates Z: 14 23.503 2.182 0.622 0.831 0.846 0.538 CB 1.636 14 residues pruned to eliminate duplicates Z: 6 3.076 1.767 -0.115 0.740 0.800 0.600 CB 0.886 Z: 29 14.431 1.901 0.479 0.397 0.821 0.536 CB 1.316 22 residues pruned to eliminate duplicates Z: 10 6.020 1.675 0.320 0.425 0.778 0.333 CB 1.261 Z: 36 15.777 1.915 0.214 0.367 0.914 0.457 CB 1.447 36 residues pruned to eliminate duplicates Z: 13 8.755 1.889 0.662 0.368 0.750 0.500 CB 1.236 14 residues pruned to eliminate duplicates Z: 13 9.424 1.695 0.442 0.425 0.917 0.750 CB 1.313 13 residues pruned to eliminate duplicates Z: 9 2.895 1.468 0.231 0.338 0.875 0.375 CB 0.773 Z: 16 7.981 1.821 0.275 0.492 0.733 0.467 CB 1.221 16 residues pruned to eliminate duplicates Z: 14 9.147 1.629 0.402 0.353 0.923 0.615 CB 1.411 Z: 27 16.423 2.127 0.646 0.278 0.769 0.500 CA 1.537 27 residues pruned to eliminate duplicates Z: 12 14.191 2.026 0.576 0.464 1.000 0.545 CB 1.390 12 residues pruned to eliminate duplicates Z: 25 14.080 1.945 0.449 0.418 0.792 0.417 CB 1.403 25 residues pruned to eliminate duplicates Z: 15 8.714 1.706 0.576 0.459 0.786 0.500 CA 1.149 15 residues pruned to eliminate duplicates Z: 25 25.994 2.096 0.715 0.624 0.917 0.792 CA 1.433 25 residues pruned to eliminate duplicates Z: 9 4.264 1.485 0.476 0.440 0.625 0.500 CA 1.170 9 residues pruned to eliminate duplicates Z: 6 3.724 1.678 0.004 0.424 1.000 0.400 CA 1.070 6 residues pruned to eliminate duplicates Z: 26 9.866 1.640 0.545 0.255 0.760 0.520 CB 1.357 26 residues pruned to eliminate duplicates Z: 10 14.697 2.082 0.306 0.862 1.000 0.778 CB 1.323 10 residues pruned to eliminate duplicates 6 1.333 1.549 0.577 0.332 0.600 0.400 CB 0.489 ? Z: 42 20.456 1.985 0.416 0.446 0.854 0.659 CA 1.407 42 residues pruned to eliminate duplicates Z: 63 40.523 2.091 0.612 0.577 0.935 0.597 CA 1.515 63 residues pruned to eliminate duplicates Z: 8 3.989 1.678 0.179 0.452 0.714 0.429 CB 1.121 8 residues pruned to eliminate duplicates Z: 8 7.564 1.694 0.342 0.722 0.857 0.857 CA 1.201 Z: 13 15.451 1.847 0.530 0.854 0.917 0.667 CB 1.272 13 residues pruned to eliminate duplicates Z: 10 6.205 1.516 0.612 0.552 0.889 0.667 CB 0.905 9 residues pruned to eliminate duplicates Z: 6 9.360 1.654 0.652 0.766 1.000 0.400 CA 1.210 Z: 18 10.942 1.703 0.471 0.434 0.765 0.471 CA 1.483 18 residues pruned to eliminate duplicates Z: 10 7.043 1.709 0.589 0.364 0.889 0.667 CB 1.126 10 residues pruned to eliminate duplicates Z: 15 17.320 1.991 0.544 0.493 0.929 0.643 N 1.633 15 residues pruned to eliminate duplicates Z: 11 16.645 2.038 0.608 0.758 1.000 0.400 CB 1.277 11 residues pruned to eliminate duplicates Z: 18 12.166 1.966 0.276 0.443 0.882 0.647 CB 1.414 18 residues pruned to eliminate duplicates Z: 14 25.987 2.204 0.629 0.895 0.923 0.923 CB 1.559 14 residues pruned to eliminate duplicates Z: 7 5.544 2.120 0.052 0.532 0.667 0.500 CB 1.475 6 residues pruned to eliminate duplicates Z: 13 11.457 1.724 0.515 0.492 0.917 0.667 CA 1.393 14 residues pruned to eliminate duplicates Z: 20 11.526 1.716 0.455 0.497 0.842 0.526 CB 1.261 28 residues pruned to eliminate duplicates Z: 38 19.389 2.000 0.353 0.469 0.892 0.676 CA 1.363 38 residues pruned to eliminate duplicates Z: 15 15.453 1.998 0.526 0.900 1.000 0.714 CA 0.968 15 residues pruned to eliminate duplicates Z: 8 3.679 1.571 0.019 0.469 0.857 0.571 CB 1.046 Z: 62 36.520 2.068 0.630 0.544 0.902 0.574 CA 1.474 62 residues pruned to eliminate duplicates Z: 39 35.966 2.121 0.652 0.653 0.974 0.789 CA 1.484 39 residues pruned to eliminate duplicates Z: 8 3.626 1.653 -0.084 0.283 0.857 0.286 CA 1.349 6 residues pruned to eliminate duplicates Z: 7 4.743 1.380 0.567 0.410 0.833 0.667 CA 1.180 Z: 9 11.653 1.859 0.505 0.830 0.875 0.375 CA 1.265 9 residues pruned to eliminate duplicates Z: 7 5.644 1.806 0.493 0.360 0.833 0.500 CB 1.192 7 residues pruned to eliminate duplicates Z: 11 6.367 1.741 0.494 0.359 0.800 0.400 CA 1.126 8 residues pruned to eliminate duplicates Z: 10 2.473 1.151 0.368 0.224 0.889 0.333 CB 0.814 Z: 31 25.841 2.098 0.742 0.451 0.867 0.400 CB 1.565 30 residues pruned to eliminate duplicates Z: 59 40.784 2.138 0.612 0.581 0.931 0.707 CA 1.544 59 residues pruned to eliminate duplicates Z: 9 11.675 1.870 0.449 0.598 1.000 0.625 CB 1.387 10 residues pruned to eliminate duplicates Z: 16 24.884 2.103 0.677 0.879 0.933 0.533 CB 1.415 16 residues pruned to eliminate duplicates Z: 15 11.175 1.832 0.445 0.517 0.929 0.500 CB 1.195 15 residues pruned to eliminate duplicates Z: 41 19.686 2.077 0.432 0.316 0.850 0.525 CB 1.508 37 residues pruned to eliminate duplicates Z: 13 7.690 1.867 0.054 0.369 0.833 0.500 CA 1.557 13 residues pruned to eliminate duplicates Z: 10 11.235 2.095 0.330 0.504 1.000 0.778 CB 1.339 10 residues pruned to eliminate duplicates Z: 6 3.876 1.630 0.064 0.416 0.800 0.400 CA 1.363 6 residues pruned to eliminate duplicates Z: 10 7.453 1.761 0.563 0.475 0.778 0.667 CA 1.191 10 residues pruned to eliminate duplicates Z: 9 11.354 1.942 0.502 0.551 0.875 0.750 N 1.497 9 residues pruned to eliminate duplicates Z: 9 7.718 1.892 -0.119 0.885 1.000 0.875 CA 1.183 9 residues pruned to eliminate duplicates Z: 60 47.801 2.197 0.753 0.581 0.949 0.542 CB 1.575 60 residues pruned to eliminate duplicates Z: 8 3.496 1.454 -0.006 0.369 1.000 0.571 C 1.052 Z: 7 10.285 1.865 0.675 0.709 0.833 0.833 CA 1.334 7 residues pruned to eliminate duplicates Z: 7 3.637 1.482 0.354 0.251 0.833 0.500 CA 1.182 7 residues pruned to eliminate duplicates Z: 11 4.108 1.564 0.074 0.380 0.800 0.400 CB 1.099 10 residues pruned to eliminate duplicates Z: 15 10.702 1.990 0.590 0.319 0.857 0.500 CA 1.289 15 residues pruned to eliminate duplicates Z: 19 12.493 2.017 0.541 0.260 0.944 0.500 CB 1.320 19 residues pruned to eliminate duplicates Z: 7 6.547 1.971 0.631 0.248 0.833 0.500 CA 1.333 5 residues pruned to eliminate duplicates Z: 21 14.979 2.166 0.296 0.451 0.900 0.500 CB 1.394 21 residues pruned to eliminate duplicates Z: 17 29.650 2.166 0.717 0.881 1.000 0.688 CB 1.443 19 residues pruned to eliminate duplicates Z: 11 17.317 1.987 0.617 0.900 0.900 0.900 CB 1.353 11 residues pruned to eliminate duplicates Z: 7 8.183 1.609 0.482 0.573 1.000 0.333 CB 1.306 Z: 8 10.930 1.906 0.493 0.647 1.000 0.857 CB 1.265 8 residues pruned to eliminate duplicates Z: 9 3.604 1.632 0.459 0.234 0.875 0.375 CB 0.833 8 residues pruned to eliminate duplicates Z: 9 5.950 1.614 0.327 0.535 0.750 0.750 N 1.264 Z: 28 19.961 1.893 0.456 0.398 0.963 0.556 CB 1.611 28 residues pruned to eliminate duplicates Z: 7 5.311 1.577 0.500 0.708 0.833 0.667 CB 0.911 Z: 62 38.038 2.081 0.598 0.608 0.918 0.656 CA 1.440 62 residues pruned to eliminate duplicates Z: 10 7.829 1.908 0.380 0.576 0.778 0.667 CB 1.185 10 residues pruned to eliminate duplicates Z: 8 4.543 1.564 0.203 0.560 1.000 0.714 CB 0.861 8 residues pruned to eliminate duplicates Z: 9 6.885 1.679 0.208 0.537 1.000 0.625 CB 1.157 9 residues pruned to eliminate duplicates Z: 9 10.942 1.835 0.547 0.589 1.000 0.875 N 1.251 9 residues pruned to eliminate duplicates Z: 6 2.343 1.800 0.166 0.414 0.800 0.600 CB 0.683 Z: 6 5.930 1.452 0.427 0.699 1.000 0.800 CA 1.067 6 residues pruned to eliminate duplicates Z: 6 3.521 1.700 0.018 0.463 0.800 0.600 N 1.181 Z: 8 8.640 1.795 0.437 0.575 0.857 0.429 CB 1.375 8 residues pruned to eliminate duplicates Z: 7 11.019 1.984 0.826 0.694 0.833 0.833 CB 1.248 7 residues pruned to eliminate duplicates Z: 6 4.512 1.716 0.249 0.680 0.800 0.600 CB 0.997 6 residues pruned to eliminate duplicates Z: 19 35.714 2.193 0.824 0.908 1.000 0.389 CB 1.496 19 residues pruned to eliminate duplicates Z: 7 8.381 2.004 0.127 0.624 1.000 0.667 CA 1.348 8 residues pruned to eliminate duplicates Z: 7 6.494 1.892 0.256 0.627 0.833 0.833 N 1.188 7 residues pruned to eliminate duplicates Z: 6 9.403 2.086 0.515 0.546 1.000 0.400 CB 1.272 6 residues pruned to eliminate duplicates Z: 50 34.777 2.178 0.452 0.623 0.939 0.653 CA 1.490 50 residues pruned to eliminate duplicates Z: 11 5.807 1.585 0.488 0.453 0.900 0.600 CB 0.907 11 residues pruned to eliminate duplicates Z: 7 3.545 1.949 0.041 0.313 0.833 0.500 CB 1.053 7 residues pruned to eliminate duplicates Z: 10 2.157 1.469 0.047 0.300 0.778 0.444 CB 0.752 Z: 14 9.031 1.651 0.369 0.428 0.923 0.385 CA 1.294 14 residues pruned to eliminate duplicates Z: 39 30.216 2.053 0.595 0.610 0.868 0.658 CA 1.552 39 residues pruned to eliminate duplicates Z: 7 8.870 1.741 0.745 0.533 1.000 0.667 CB 1.154 Z: 17 12.884 1.842 0.431 0.575 0.812 0.375 CA 1.398 17 residues pruned to eliminate duplicates Z: 6 4.158 1.714 -0.046 0.681 0.800 0.800 CB 1.203 Z: 9 14.025 2.016 0.733 0.633 0.875 0.750 CB 1.431 9 residues pruned to eliminate duplicates Z: 6 3.105 1.682 0.262 0.410 0.600 0.400 CB 1.199 Z: 15 7.918 1.717 0.486 0.301 0.857 0.429 CA 1.208 15 residues pruned to eliminate duplicates Z: 13 9.436 1.786 0.401 0.520 0.833 0.667 CA 1.281 13 residues pruned to eliminate duplicates Z: 7 6.138 1.776 0.155 0.474 1.000 0.500 CB 1.254 7 residues pruned to eliminate duplicates 6 1.720 1.476 0.584 0.300 0.400 0.400 CB 1.028 ? Z: 9 5.564 1.901 0.313 0.331 0.875 0.500 CB 1.085 7 residues pruned to eliminate duplicates 6 0.664 1.324 -0.121 0.397 0.800 0.600 CB 0.356 ? Z: 6 3.148 1.462 0.939 0.295 0.600 0.400 N 1.041 7 1.714 1.334 0.426 0.250 0.667 0.667 CA 0.736 ? Z: 8 2.655 1.487 0.168 0.310 0.714 0.571 CB 0.998 8 residues pruned to eliminate duplicates Z: 6 4.440 1.350 0.456 0.595 0.800 0.800 O 1.153 Z: 16 8.060 1.796 0.322 0.389 0.867 0.467 CB 1.138 16 residues pruned to eliminate duplicates Z: 9 5.032 1.509 0.408 0.438 0.750 0.625 C 1.190 8 residues pruned to eliminate duplicates Z: 15 6.597 1.637 0.539 0.433 0.857 0.643 CB 0.875 6 residues pruned to eliminate duplicates Z: 12 4.717 1.607 0.171 0.410 0.818 0.455 CB 1.015 9 residues pruned to eliminate duplicates Z: 6 2.389 1.297 0.210 0.300 0.800 0.600 CB 1.064 Z: 9 8.206 1.858 0.040 0.719 1.000 0.750 CA 1.232 9 residues pruned to eliminate duplicates Z: 8 8.880 1.748 0.377 0.639 1.000 0.571 CB 1.224 8 residues pruned to eliminate duplicates Z: 9 9.434 1.792 0.721 0.570 0.875 0.500 CB 1.155 8 residues pruned to eliminate duplicates Z: 23 10.613 1.851 0.229 0.354 0.955 0.591 CA 1.220 23 residues pruned to eliminate duplicates Z: 68 50.503 2.201 0.807 0.600 0.925 0.537 CB 1.524 79 residues pruned to eliminate duplicates Z: 16 11.557 1.809 0.647 0.385 0.800 0.533 CA 1.413 16 residues pruned to eliminate duplicates Z: 11 12.673 1.842 0.761 0.601 1.000 0.700 CB 1.122 19 residues pruned to eliminate duplicates Z: 15 10.739 1.868 0.183 0.402 1.000 0.571 CB 1.440 15 residues pruned to eliminate duplicates Z: 7 5.739 1.882 0.398 0.244 1.000 0.833 CA 1.197 7 residues pruned to eliminate duplicates Z: 11 2.644 1.270 0.404 0.257 0.700 0.300 CB 0.885 Z: 19 22.619 1.989 0.900 0.560 0.889 0.389 CB 1.497 20 residues pruned to eliminate duplicates Z: 11 4.153 1.504 0.448 0.222 0.900 0.400 N 0.928 8 residues pruned to eliminate duplicates Z: 35 18.366 1.949 0.591 0.384 0.824 0.500 CA 1.395 35 residues pruned to eliminate duplicates Z: 36 18.473 2.020 0.325 0.456 0.829 0.486 CA 1.473 36 residues pruned to eliminate duplicates Z: 6 2.372 1.542 0.395 0.294 0.800 0.600 CA 0.776 Z: 14 4.342 1.550 -0.066 0.345 1.000 0.462 CB 0.985 14 residues pruned to eliminate duplicates Z: 16 9.581 1.914 0.170 0.366 0.933 0.533 CB 1.367 17 residues pruned to eliminate duplicates Z: 23 48.433 2.161 1.066 0.931 1.000 0.727 CB 1.616 23 residues pruned to eliminate duplicates 6 1.889 1.604 0.268 0.100 0.800 0.600 CB 0.865 ? Z: 10 12.649 1.870 0.677 0.534 0.889 0.778 N 1.463 10 residues pruned to eliminate duplicates Z: 10 10.531 1.730 0.634 0.672 0.889 0.667 CA 1.192 10 residues pruned to eliminate duplicates Z: 25 12.183 1.942 0.435 0.359 0.750 0.417 CB 1.386 25 residues pruned to eliminate duplicates Z: 6 2.364 1.559 0.125 0.221 0.800 0.200 C 1.045 Z: 14 7.763 1.790 0.309 0.300 0.769 0.462 CA 1.494 14 residues pruned to eliminate duplicates Z: 29 15.154 1.860 0.460 0.568 0.929 0.500 CB 1.063 29 residues pruned to eliminate duplicates Z: 8 2.001 1.364 -0.012 0.166 1.000 0.429 C 0.843 8 residues pruned to eliminate duplicates Z: 36 21.303 2.021 0.521 0.429 0.857 0.600 CB 1.471 36 residues pruned to eliminate duplicates Z: 53 42.832 2.136 0.637 0.668 0.962 0.615 CA 1.513 53 residues pruned to eliminate duplicates Z: 7 3.048 1.556 0.499 0.478 0.833 0.833 CB 0.654 6 residues pruned to eliminate duplicates Z: 6 3.761 1.320 0.614 0.462 0.800 0.800 CB 1.025 6 1.659 1.367 1.009 0.295 0.600 0.400 CB 0.566 ? Z: 6 3.948 1.537 0.787 0.761 0.800 0.600 CB 0.638 Z: 7 4.784 1.580 0.678 0.545 0.833 0.667 CB 0.846 Z: 25 15.600 1.978 0.421 0.388 0.875 0.417 CB 1.458 25 residues pruned to eliminate duplicates Z: 9 14.060 1.969 0.337 0.864 1.000 1.000 CB 1.384 9 residues pruned to eliminate duplicates Z: 6 7.286 1.482 0.806 0.690 1.000 0.800 N 1.023 6 residues pruned to eliminate duplicates Z: 6 4.892 1.508 0.452 0.568 1.000 0.400 O 0.936 Z: 11 10.754 1.812 0.222 0.619 1.000 0.800 CA 1.373 11 residues pruned to eliminate duplicates Z: 15 15.978 2.066 0.709 0.492 0.929 0.714 CB 1.313 15 residues pruned to eliminate duplicates Z: 6 6.115 1.565 0.493 0.427 1.000 0.800 N 1.262 Z: 7 6.874 1.576 0.467 0.733 1.000 0.667 CA 0.984 15 residues pruned to eliminate duplicates Z: 9 10.650 1.721 0.595 0.731 0.875 0.750 CA 1.274 9 residues pruned to eliminate duplicates Z: 10 4.071 1.548 0.197 0.310 0.778 0.222 N 1.162 10 residues pruned to eliminate duplicates Z: 12 10.307 1.705 0.538 0.509 1.000 0.636 CB 1.175 11 residues pruned to eliminate duplicates Z: 6 2.306 1.498 0.179 0.463 0.800 0.400 CB 0.758 Z: 10 12.242 1.778 0.966 0.753 0.889 0.667 CA 1.048 10 residues pruned to eliminate duplicates Z: 12 8.385 2.024 0.345 0.365 0.727 0.636 CA 1.477 12 residues pruned to eliminate duplicates Z: 7 2.344 1.487 0.079 0.357 0.667 0.500 CB 1.043 Z: 16 7.120 1.695 0.219 0.398 0.800 0.600 CB 1.239 16 residues pruned to eliminate duplicates Z: 13 6.197 1.652 0.302 0.374 0.917 0.500 CB 1.038 14 residues pruned to eliminate duplicates Z: 9 5.559 1.646 0.471 0.416 0.875 0.375 CB 1.013 9 residues pruned to eliminate duplicates Z: 16 9.383 1.761 0.675 0.231 0.800 0.467 CA 1.405 16 residues pruned to eliminate duplicates Z: 7 3.603 1.349 0.511 0.327 1.000 0.333 CB 0.873 Z: 9 4.204 1.564 0.346 0.359 0.750 0.500 CB 1.096 Z: 20 28.100 2.191 0.433 0.912 1.000 0.842 CA 1.453 20 residues pruned to eliminate duplicates Z: 27 21.975 1.925 0.367 0.640 1.000 0.692 CA 1.436 27 residues pruned to eliminate duplicates Z: 7 2.345 1.346 0.266 0.654 0.667 0.500 CA 0.730 Z: 8 5.444 1.606 0.434 0.633 0.857 0.571 CB 0.921 6 residues pruned to eliminate duplicates Z: 9 5.169 1.697 0.189 0.480 0.875 0.500 CB 1.056 9 residues pruned to eliminate duplicates Z: 11 8.033 1.527 0.890 0.797 1.000 0.700 CA 0.678 11 residues pruned to eliminate duplicates Z: 9 5.176 1.729 0.037 0.523 0.875 0.875 CB 1.140 9 residues pruned to eliminate duplicates Z: 19 20.525 2.030 0.699 0.509 1.000 0.500 CA 1.390 19 residues pruned to eliminate duplicates Z: 6 3.072 1.578 -0.152 0.624 1.000 0.800 CB 0.913 Z: 13 14.941 1.985 0.416 0.653 0.917 0.667 CB 1.452 13 residues pruned to eliminate duplicates Z: 22 35.546 2.117 0.797 0.889 1.000 0.667 CB 1.468 22 residues pruned to eliminate duplicates Z: 8 8.047 1.589 0.624 0.634 0.857 0.571 CB 1.213 Z: 29 11.317 1.776 0.334 0.342 0.893 0.536 CB 1.201 36 residues pruned to eliminate duplicates Z: 14 9.807 1.870 0.194 0.426 0.923 0.615 CA 1.424 13 residues pruned to eliminate duplicates Z: 7 5.207 1.638 0.350 0.522 0.833 0.667 N 1.128 7 residues pruned to eliminate duplicates Z: 20 23.242 1.988 0.752 0.900 0.842 0.579 CA 1.299 20 residues pruned to eliminate duplicates 7 1.912 1.347 0.378 0.204 0.833 0.500 CB 0.716 ? Z: 7 10.030 2.130 0.525 0.327 1.000 0.167 CB 1.524 7 residues pruned to eliminate duplicates Z: 10 9.222 1.566 0.745 0.636 1.000 0.889 CB 0.990 10 residues pruned to eliminate duplicates Z: 15 9.122 1.900 0.264 0.390 0.929 0.571 CB 1.229 15 residues pruned to eliminate duplicates Z: 7 4.936 1.638 0.250 0.654 1.000 0.833 CB 0.853 7 residues pruned to eliminate duplicates Z: 9 4.500 1.668 0.310 0.266 0.750 0.375 CB 1.268 7 residues pruned to eliminate duplicates Z: 7 2.419 1.449 -0.052 0.358 1.000 0.500 CA 0.838 7 residues pruned to eliminate duplicates Z: 6 3.630 1.607 0.674 0.297 0.800 0.600 CA 0.947 Z: 11 3.175 1.341 0.348 0.262 0.800 0.400 N 0.911 Z: 7 9.386 1.552 0.607 0.807 1.000 0.833 CB 1.175 Z: 9 6.560 1.399 0.844 0.369 1.000 0.500 CA 1.035 Z: 8 3.439 1.452 0.254 0.316 0.714 0.429 CB 1.223 Z: 19 11.000 1.665 0.455 0.395 0.889 0.444 CB 1.346 19 residues pruned to eliminate duplicates Z: 12 4.376 1.615 0.100 0.276 0.909 0.455 CB 1.053 12 residues pruned to eliminate duplicates Z: 6 3.047 1.552 0.400 0.299 0.800 0.600 CB 0.982 Z: 33 19.517 1.935 0.607 0.472 0.875 0.625 CA 1.304 31 residues pruned to eliminate duplicates Z: 44 32.266 2.072 0.714 0.548 0.884 0.465 CA 1.496 44 residues pruned to eliminate duplicates Z: 14 8.394 1.857 0.568 0.352 0.846 0.538 CA 1.108 14 residues pruned to eliminate duplicates Z: 7 5.719 1.895 -0.111 0.788 1.000 0.667 CB 1.076 7 residues pruned to eliminate duplicates Z: 17 21.317 2.078 0.702 0.698 0.938 0.688 CA 1.342 17 residues pruned to eliminate duplicates Z: 21 30.706 2.214 0.403 0.902 1.000 0.850 CA 1.577 21 residues pruned to eliminate duplicates Z: 8 2.197 1.163 0.433 0.278 0.714 0.571 CA 0.896 Z: 11 7.028 1.705 0.813 0.434 0.800 0.400 CB 0.963 8 residues pruned to eliminate duplicates Z: 35 12.686 1.915 0.127 0.340 0.853 0.471 CB 1.407 35 residues pruned to eliminate duplicates Z: 16 9.459 1.807 0.377 0.461 0.733 0.733 N 1.392 16 residues pruned to eliminate duplicates Z: 9 8.041 1.755 0.232 0.633 1.000 0.750 CA 1.160 9 residues pruned to eliminate duplicates Z: 7 4.316 1.499 0.849 0.389 0.667 0.500 CB 1.074 6 1.765 1.604 0.099 0.309 0.600 0.400 CB 0.922 ? Z: 11 5.229 1.966 0.225 0.197 0.800 0.300 CB 1.232 11 residues pruned to eliminate duplicates Z: 17 6.572 1.710 0.251 0.325 0.875 0.438 CB 1.064 17 residues pruned to eliminate duplicates Z: 19 12.610 2.045 0.783 0.212 0.778 0.556 CA 1.473 19 residues pruned to eliminate duplicates Z: 8 16.433 2.015 0.864 0.737 0.857 0.857 CA 1.560 8 residues pruned to eliminate duplicates Z: 8 3.971 1.590 0.160 0.344 0.857 0.571 CB 1.125 Z: 8 3.508 1.560 -0.097 0.565 1.000 0.571 N 0.884 Z: 24 19.069 1.945 0.416 0.446 1.000 0.478 CA 1.525 24 residues pruned to eliminate duplicates Z: 27 12.235 1.762 0.528 0.326 0.769 0.462 CB 1.404 27 residues pruned to eliminate duplicates Z: 6 2.945 1.156 0.602 0.456 1.000 0.800 O 0.744 Z: 10 3.681 1.672 0.312 0.269 0.778 0.778 CB 0.935 6 0.932 1.335 0.254 0.353 0.600 0.600 CB 0.487 ? Z: 14 10.486 1.752 0.401 0.588 0.769 0.615 CA 1.415 14 residues pruned to eliminate duplicates Z: 13 10.403 1.888 0.613 0.528 0.917 0.667 CA 1.046 13 residues pruned to eliminate duplicates Z: 9 11.413 1.823 0.677 0.499 0.875 0.625 CB 1.510 11 residues pruned to eliminate duplicates 6 1.971 1.560 0.598 0.100 0.600 0.600 N 0.982 ? Z: 8 2.633 1.389 0.322 0.211 0.857 0.571 CB 0.890 5 residues pruned to eliminate duplicates Z: 27 28.809 2.134 0.492 0.741 0.923 0.769 CB 1.549 27 residues pruned to eliminate duplicates Z: 6 3.066 1.487 0.241 0.558 0.800 0.400 CB 0.878 Z: 31 39.870 2.204 0.742 0.740 1.000 0.600 CA 1.529 31 residues pruned to eliminate duplicates Z: 13 7.899 1.663 0.230 0.463 0.917 0.500 CB 1.263 13 residues pruned to eliminate duplicates Z: 10 3.487 1.517 0.096 0.263 1.000 0.556 N 0.917 10 residues pruned to eliminate duplicates Z: 19 14.614 1.967 0.499 0.439 0.944 0.667 CA 1.317 19 residues pruned to eliminate duplicates Z: 13 9.860 1.980 0.469 0.408 0.917 0.667 CB 1.175 Z: 8 5.098 1.856 0.618 0.373 0.857 0.714 CB 0.857 8 residues pruned to eliminate duplicates Z: 12 4.029 1.485 0.310 0.369 0.818 0.636 CB 0.878 12 residues pruned to eliminate duplicates Z: 16 26.744 2.047 0.676 0.822 0.933 0.533 CB 1.631 16 residues pruned to eliminate duplicates Z: 12 4.453 1.618 0.249 0.288 0.727 0.455 CA 1.158 12 residues pruned to eliminate duplicates Z: 18 8.142 2.022 0.476 0.294 0.647 0.471 CB 1.288 18 residues pruned to eliminate duplicates Z: 9 12.083 1.825 1.010 0.850 0.875 0.750 CA 0.986 9 residues pruned to eliminate duplicates Z: 33 14.242 1.900 0.242 0.348 0.906 0.531 CB 1.389 33 residues pruned to eliminate duplicates Z: 7 5.535 1.705 0.578 0.507 0.833 0.667 CB 1.001 6 residues pruned to eliminate duplicates Z: 10 2.250 1.333 0.533 0.318 0.667 0.667 CA 0.673 Z: 6 3.739 1.443 0.993 0.639 0.800 0.600 CB 0.638 Z: 44 31.318 2.165 0.624 0.458 0.953 0.605 CA 1.486 44 residues pruned to eliminate duplicates Z: 11 4.597 1.670 0.550 0.312 0.700 0.400 CB 0.988 Z: 22 16.586 1.994 0.305 0.540 0.905 0.571 CB 1.478 22 residues pruned to eliminate duplicates Z: 6 3.903 1.808 0.535 0.345 0.800 0.600 CB 0.931 6 residues pruned to eliminate duplicates Z: 9 6.465 1.628 0.314 0.526 1.000 0.375 CB 1.041 9 residues pruned to eliminate duplicates Z: 7 2.371 1.432 0.002 0.417 0.833 0.500 CB 0.884 Z: 25 15.641 2.015 0.644 0.344 0.833 0.417 CB 1.371 25 residues pruned to eliminate duplicates Z: 16 6.803 1.652 0.320 0.387 0.733 0.400 C 1.238 10 residues pruned to eliminate duplicates Z: 7 2.674 1.321 0.428 0.427 0.667 0.500 CB 0.936 Z: 13 21.306 2.101 0.487 0.867 0.917 0.917 CA 1.571 13 residues pruned to eliminate duplicates Z: 6 7.191 1.513 0.442 0.832 1.000 0.800 CA 1.107 10 residues pruned to eliminate duplicates Z: 7 2.196 1.239 0.671 0.248 0.667 0.333 CB 0.868 Z: 10 7.664 1.529 0.624 0.522 0.889 0.889 CA 1.132 Z: 7 7.606 1.898 0.210 0.560 1.000 1.000 CA 1.276 7 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 4.131 1.537 0.357 0.395 1.000 0.800 CA 0.989 6 residues pruned to eliminate duplicates Z: 14 11.216 1.818 0.679 0.405 0.846 0.615 CB 1.330 14 residues pruned to eliminate duplicates Z: 7 4.872 1.904 0.222 0.306 0.833 0.500 CB 1.272 7 residues pruned to eliminate duplicates Z: 6 4.285 2.033 -0.090 0.370 0.800 0.400 CB 1.488 6 residues pruned to eliminate duplicates Z: 8 8.353 1.807 0.278 0.534 1.000 0.571 CB 1.323 8 residues pruned to eliminate duplicates Z: 12 4.641 1.580 0.269 0.370 0.727 0.545 CB 1.103 12 residues pruned to eliminate duplicates Z: 10 4.104 1.759 0.089 0.475 0.778 0.667 CB 0.942 9 residues pruned to eliminate duplicates Z: 6 3.939 1.645 0.175 0.318 1.000 0.600 CA 1.114 7 residues pruned to eliminate duplicates Z: 6 3.361 1.514 0.401 0.400 0.800 0.600 CA 0.984 Z: 6 2.189 1.419 0.549 0.280 0.600 0.000 CB 0.952 4 residues pruned to eliminate duplicates Z: 6 2.607 1.368 0.527 0.405 0.800 0.800 CA 0.771 Z: 7 5.411 1.639 0.783 0.528 0.833 0.667 CA 0.882 6 residues pruned to eliminate duplicates Z: 6 3.619 1.249 0.468 0.606 0.800 0.400 CA 0.997 5 residues pruned to eliminate duplicates Z: 9 14.534 1.912 0.843 0.521 1.000 0.375 CB 1.428 6 residues pruned to eliminate duplicates Z: 6 6.031 1.846 0.672 0.375 1.000 0.600 CB 0.999 Z: 6 5.269 1.669 0.447 0.398 1.000 0.600 CB 1.087 6 residues pruned to eliminate duplicates Z: 8 7.093 1.829 0.576 0.443 1.000 0.571 CB 0.986 14 residues pruned to eliminate duplicates Z: 6 14.081 2.139 1.063 0.612 1.000 0.800 CB 1.284 6 residues pruned to eliminate duplicates Z: 8 7.852 1.564 0.636 0.583 0.857 0.571 N 1.249 8 residues pruned to eliminate duplicates Z: 10 9.666 1.905 0.496 0.391 0.778 0.333 C 1.632 8 residues pruned to eliminate duplicates Z: 7 4.154 1.741 0.444 0.358 0.667 0.333 N 1.180 7 residues pruned to eliminate duplicates Z: 8 11.182 2.047 0.373 0.503 1.000 0.571 CA 1.499 8 residues pruned to eliminate duplicates Z: 11 17.358 2.141 0.315 0.885 0.900 0.600 CA 1.564 15 residues pruned to eliminate duplicates Z: 13 17.295 1.896 0.483 0.844 1.000 0.750 CB 1.321 11 residues pruned to eliminate duplicates Z: 11 17.100 1.998 0.557 0.879 0.900 0.600 CB 1.401 11 residues pruned to eliminate duplicates Z: 12 18.021 2.119 0.505 0.738 0.909 0.455 CB 1.514 12 residues pruned to eliminate duplicates Z: 13 16.810 1.969 0.604 0.725 0.917 0.417 CB 1.368 12 residues pruned to eliminate duplicates Z: 10 16.874 2.050 0.626 0.789 0.889 0.444 CB 1.472 10 residues pruned to eliminate duplicates Z: 12 23.246 2.028 0.876 0.879 1.000 0.364 CB 1.336 12 residues pruned to eliminate duplicates Z: 10 18.425 2.041 0.982 0.901 0.889 0.556 CB 1.219 10 residues pruned to eliminate duplicates Z: 11 9.064 1.894 0.664 0.701 0.700 0.300 CB 1.082 11 residues pruned to eliminate duplicates Z: 28 26.780 2.044 0.689 0.705 0.889 0.333 CB 1.393 32 residues pruned to eliminate duplicates Z: 6 2.094 1.576 -0.188 0.298 0.800 0.600 CA 1.146 6 residues pruned to eliminate duplicates Z: 11 5.561 1.623 0.112 0.604 0.800 0.700 CA 1.103 11 residues pruned to eliminate duplicates Z: 10 10.044 1.904 0.275 0.683 1.000 0.667 CA 1.165 10 residues pruned to eliminate duplicates Z: 10 7.710 1.798 0.175 0.680 0.889 0.667 CA 1.159 10 residues pruned to eliminate duplicates Z: 10 8.699 1.818 0.248 0.678 0.889 0.667 CB 1.221 10 residues pruned to eliminate duplicates Z: 10 9.045 1.740 0.281 0.685 1.000 0.889 CA 1.142 10 residues pruned to eliminate duplicates Z: 10 10.899 1.831 0.261 0.784 1.000 0.778 CA 1.225 10 residues pruned to eliminate duplicates Z: 20 13.089 1.993 0.586 0.484 0.842 0.421 CB 1.147 21 residues pruned to eliminate duplicates Z: 7 2.839 1.588 0.789 0.628 0.833 0.667 CB 0.434 7 residues pruned to eliminate duplicates Z: 9 4.835 1.799 0.575 0.265 0.875 0.375 CB 0.901 9 residues pruned to eliminate duplicates Z: 18 11.132 1.964 0.533 0.427 0.824 0.412 CB 1.175 18 residues pruned to eliminate duplicates Z: 19 12.062 2.026 0.557 0.475 0.833 0.444 CB 1.110 19 residues pruned to eliminate duplicates Z: 24 10.535 1.857 0.290 0.333 0.826 0.391 CB 1.333 24 residues pruned to eliminate duplicates Z: 21 12.911 1.960 0.611 0.444 0.850 0.450 CB 1.139 20 residues pruned to eliminate duplicates Z: 6 4.889 1.749 0.292 0.407 1.000 0.400 CA 1.067 6 residues pruned to eliminate duplicates Z: 19 10.734 2.023 0.414 0.326 0.778 0.444 CB 1.377 22 residues pruned to eliminate duplicates Z: 9 5.789 1.479 0.673 0.675 0.750 0.125 N 0.939 6 residues pruned to eliminate duplicates Z: 9 6.307 1.743 0.243 0.716 0.875 0.500 CA 0.968 9 residues pruned to eliminate duplicates Z: 13 7.684 1.752 0.214 0.596 1.000 0.500 CB 0.952 21 residues pruned to eliminate duplicates Z: 7 3.335 1.871 0.377 0.609 0.667 0.333 CB 0.715 7 residues pruned to eliminate duplicates Z: 14 7.206 1.738 0.300 0.535 0.846 0.538 CB 1.010 12 residues pruned to eliminate duplicates Z: 7 5.037 1.847 0.453 0.675 0.833 0.333 CB 0.783 7 residues pruned to eliminate duplicates Z: 9 3.931 1.710 0.314 0.375 0.875 0.250 CB 0.808 9 residues pruned to eliminate duplicates Z: 10 9.380 1.907 0.323 0.648 1.000 0.556 CB 1.079 12 residues pruned to eliminate duplicates Z: 8 5.228 1.705 0.386 0.442 0.857 0.429 CA 1.036 8 residues pruned to eliminate duplicates Z: 8 8.605 1.892 0.609 0.476 1.000 0.857 CB 1.094 7 residues pruned to eliminate duplicates Z: 7 6.017 1.659 0.514 0.415 0.833 0.500 CB 1.282 6 residues pruned to eliminate duplicates Z: 6 4.579 1.603 0.857 0.296 0.800 0.400 N 1.079 6 residues pruned to eliminate duplicates Z: 12 8.805 1.941 0.620 0.179 0.909 0.727 N 1.368 10 residues pruned to eliminate duplicates Z: 6 2.675 1.616 0.047 0.772 0.600 0.600 CA 0.926 6 residues pruned to eliminate duplicates Z: 38 23.616 2.041 0.459 0.469 0.919 0.649 CA 1.464 38 residues pruned to eliminate duplicates Z: 33 25.625 2.125 0.537 0.478 0.938 0.594 CB 1.514 33 residues pruned to eliminate duplicates Z: 37 22.631 2.082 0.446 0.469 0.889 0.611 CA 1.454 37 residues pruned to eliminate duplicates Z: 37 21.759 2.068 0.422 0.465 0.889 0.528 CA 1.438 37 residues pruned to eliminate duplicates Z: 36 23.170 2.077 0.429 0.453 0.943 0.543 CA 1.469 36 residues pruned to eliminate duplicates Z: 33 25.274 2.079 0.566 0.484 0.938 0.562 CA 1.487 33 residues pruned to eliminate duplicates Z: 36 22.155 2.091 0.401 0.467 0.914 0.600 CA 1.447 36 residues pruned to eliminate duplicates Z: 48 23.357 2.033 0.436 0.448 0.872 0.511 CB 1.412 48 residues pruned to eliminate duplicates Z: 50 23.872 2.022 0.430 0.433 0.878 0.531 CA 1.441 50 residues pruned to eliminate duplicates Z: 38 25.593 2.057 0.527 0.483 0.919 0.703 CA 1.483 38 residues pruned to eliminate duplicates Z: 37 22.814 2.035 0.500 0.459 0.944 0.611 CA 1.375 37 residues pruned to eliminate duplicates Z: 32 26.057 2.113 0.511 0.498 0.968 0.710 CA 1.518 32 residues pruned to eliminate duplicates Z: 36 21.174 2.041 0.471 0.357 0.886 0.571 CB 1.572 36 residues pruned to eliminate duplicates Z: 42 21.720 2.015 0.438 0.441 0.854 0.561 CA 1.457 42 residues pruned to eliminate duplicates Z: 35 24.573 2.075 0.544 0.482 0.912 0.676 CA 1.469 35 residues pruned to eliminate duplicates Z: 53 23.598 1.958 0.480 0.431 0.865 0.635 CA 1.402 53 residues pruned to eliminate duplicates Z: 38 24.446 2.037 0.517 0.474 0.919 0.622 CA 1.453 38 residues pruned to eliminate duplicates Z: 36 23.090 2.092 0.393 0.470 0.943 0.714 CA 1.464 36 residues pruned to eliminate duplicates Z: 38 21.460 2.018 0.414 0.437 0.919 0.541 CA 1.436 38 residues pruned to eliminate duplicates Z: 38 19.572 1.999 0.402 0.413 0.865 0.622 CA 1.454 38 residues pruned to eliminate duplicates Z: 38 23.689 2.027 0.514 0.459 0.919 0.676 CA 1.440 38 residues pruned to eliminate duplicates Z: 33 21.965 2.049 0.432 0.445 0.938 0.656 CB 1.493 33 residues pruned to eliminate duplicates Z: 51 25.005 1.974 0.477 0.449 0.900 0.580 CA 1.420 51 residues pruned to eliminate duplicates Z: 43 21.924 1.950 0.599 0.449 0.857 0.571 CA 1.335 43 residues pruned to eliminate duplicates Z: 38 23.510 2.014 0.548 0.468 0.946 0.649 CA 1.355 38 residues pruned to eliminate duplicates Z: 20 16.251 2.004 0.457 0.477 0.842 0.474 CA 1.552 20 residues pruned to eliminate duplicates Z: 35 24.105 2.084 0.492 0.476 0.912 0.618 CA 1.494 35 residues pruned to eliminate duplicates Z: 38 20.581 2.025 0.472 0.440 0.865 0.568 CA 1.396 38 residues pruned to eliminate duplicates Z: 8 5.036 1.761 0.100 0.539 0.857 0.286 CA 1.103 8 residues pruned to eliminate duplicates Z: 38 23.767 1.991 0.542 0.492 0.946 0.649 CA 1.357 38 residues pruned to eliminate duplicates Z: 47 19.422 1.924 0.546 0.392 0.804 0.457 CA 1.343 47 residues pruned to eliminate duplicates Z: 42 20.389 2.012 0.435 0.416 0.829 0.561 CA 1.453 42 residues pruned to eliminate duplicates Z: 50 23.237 2.009 0.418 0.430 0.857 0.571 CA 1.462 50 residues pruned to eliminate duplicates Z: 6 2.489 1.773 -0.043 0.462 0.600 0.600 CA 1.137 6 residues pruned to eliminate duplicates Z: 7 4.175 1.967 0.104 0.465 0.667 0.667 CB 1.221 7 residues pruned to eliminate duplicates Z: 12 6.835 1.773 0.092 0.629 0.818 0.455 CB 1.153 12 residues pruned to eliminate duplicates Z: 15 7.226 1.705 0.514 0.371 0.714 0.429 CB 1.203 15 residues pruned to eliminate duplicates Z: 17 11.152 1.856 0.287 0.481 0.875 0.625 CB 1.359 17 residues pruned to eliminate duplicates Z: 17 9.656 1.768 0.611 0.408 0.750 0.375 CB 1.245 17 residues pruned to eliminate duplicates Z: 18 10.990 1.776 0.483 0.470 0.882 0.647 CB 1.183 18 residues pruned to eliminate duplicates Z: 17 12.736 1.896 0.561 0.506 0.750 0.500 CB 1.426 17 residues pruned to eliminate duplicates Z: 17 12.444 1.891 0.295 0.553 0.875 0.688 CB 1.378 17 residues pruned to eliminate duplicates Z: 16 13.940 1.953 0.341 0.489 0.933 0.533 CB 1.489 16 residues pruned to eliminate duplicates Z: 26 15.706 1.885 0.459 0.418 0.840 0.520 CA 1.481 92 residues pruned to eliminate duplicates Z: 31 13.424 1.889 0.474 0.338 0.800 0.367 CB 1.314 50 residues pruned to eliminate duplicates Z: 17 12.622 1.843 0.462 0.590 0.875 0.625 CA 1.227 6 residues pruned to eliminate duplicates Z: 7 7.758 1.846 0.657 0.367 1.000 0.833 CA 1.195 6 residues pruned to eliminate duplicates Z: 6 8.425 1.795 0.827 0.440 1.000 0.400 CA 1.223 6 residues pruned to eliminate duplicates Z: 6 2.796 1.593 0.716 0.207 0.600 0.400 CA 1.078 Z: 6 8.383 1.620 0.642 0.508 1.000 0.600 CB 1.398 6 residues pruned to eliminate duplicates Z: 12 5.408 1.788 0.738 0.211 0.545 0.182 CA 1.353 18 residues pruned to eliminate duplicates Z: 22 16.400 1.966 0.589 0.422 0.810 0.524 N 1.535 23 residues pruned to eliminate duplicates Z: 35 17.007 1.982 0.446 0.294 0.824 0.471 CA 1.555 32 residues pruned to eliminate duplicates Z: 20 12.473 1.917 0.505 0.424 0.789 0.474 CB 1.360 20 residues pruned to eliminate duplicates Z: 18 17.196 1.993 0.510 0.462 0.882 0.647 CA 1.633 18 residues pruned to eliminate duplicates Z: 35 18.247 1.988 0.493 0.328 0.912 0.500 CB 1.396 45 residues pruned to eliminate duplicates Z: 6 2.888 1.617 0.628 0.219 0.600 0.200 N 1.137 6 residues pruned to eliminate duplicates Z: 24 14.689 1.951 0.546 0.375 0.783 0.522 CB 1.483 24 residues pruned to eliminate duplicates Z: 22 13.854 1.950 0.481 0.397 0.810 0.333 CA 1.441 23 residues pruned to eliminate duplicates Z: 11 14.107 1.972 0.633 0.518 0.900 0.600 N 1.513 11 residues pruned to eliminate duplicates Z: 11 10.744 1.950 0.389 0.479 0.900 0.500 N 1.423 11 residues pruned to eliminate duplicates Z: 22 17.154 1.983 0.635 0.413 0.857 0.571 CA 1.476 22 residues pruned to eliminate duplicates Z: 11 12.074 2.008 0.534 0.416 0.800 0.400 CA 1.691 20 residues pruned to eliminate duplicates Z: 7 10.289 2.050 0.344 0.566 1.000 0.833 CA 1.431 7 residues pruned to eliminate duplicates Z: 11 9.441 2.012 0.294 0.367 0.800 0.600 CA 1.654 12 residues pruned to eliminate duplicates Z: 8 10.500 1.791 0.250 0.630 1.000 0.714 CA 1.570 8 residues pruned to eliminate duplicates Z: 13 7.058 1.730 0.389 0.316 0.750 0.333 CA 1.386 9 residues pruned to eliminate duplicates Z: 7 10.541 2.061 0.187 0.485 1.000 0.833 N 1.785 7 residues pruned to eliminate duplicates Z: 11 10.785 1.982 0.487 0.443 0.800 0.400 CB 1.534 11 residues pruned to eliminate duplicates Z: 10 7.163 1.883 0.476 0.342 0.667 0.444 CB 1.531 10 residues pruned to eliminate duplicates Z: 8 8.422 2.010 0.162 0.493 0.857 0.286 CA 1.600 6 residues pruned to eliminate duplicates Z: 24 15.593 1.963 0.347 0.445 0.870 0.478 CB 1.497 24 residues pruned to eliminate duplicates Z: 25 15.789 1.888 0.451 0.429 0.875 0.458 CB 1.446 26 residues pruned to eliminate duplicates Z: 24 15.128 1.929 0.370 0.405 0.870 0.348 CA 1.516 24 residues pruned to eliminate duplicates Z: 17 17.174 2.041 0.307 0.504 0.938 0.625 CB 1.709 17 residues pruned to eliminate duplicates Z: 22 16.337 2.003 0.360 0.475 0.810 0.524 CB 1.659 22 residues pruned to eliminate duplicates Z: 22 16.194 1.991 0.359 0.431 0.857 0.381 CA 1.637 22 residues pruned to eliminate duplicates Z: 16 16.408 2.023 0.465 0.482 0.933 0.400 CB 1.560 16 residues pruned to eliminate duplicates Z: 24 16.626 2.000 0.528 0.433 0.783 0.261 CB 1.553 24 residues pruned to eliminate duplicates Z: 26 16.447 1.976 0.514 0.406 0.840 0.360 CB 1.445 25 residues pruned to eliminate duplicates Z: 22 15.451 1.988 0.433 0.443 0.762 0.429 N 1.647 22 residues pruned to eliminate duplicates Z: 23 17.882 1.955 0.388 0.440 0.955 0.500 CA 1.565 23 residues pruned to eliminate duplicates Z: 24 15.184 1.950 0.366 0.426 0.870 0.435 CB 1.476 24 residues pruned to eliminate duplicates Z: 25 17.202 1.980 0.405 0.458 0.833 0.417 CB 1.581 25 residues pruned to eliminate duplicates Z: 24 15.739 1.997 0.317 0.410 0.870 0.435 CB 1.577 24 residues pruned to eliminate duplicates Z: 24 15.315 2.007 0.234 0.421 0.870 0.435 CB 1.610 24 residues pruned to eliminate duplicates Z: 23 16.893 1.991 0.358 0.443 0.864 0.409 CA 1.635 23 residues pruned to eliminate duplicates Z: 11 4.573 1.766 0.130 0.329 0.700 0.400 N 1.248 11 residues pruned to eliminate duplicates Z: 13 10.886 1.779 0.474 0.500 0.917 0.583 CA 1.307 13 residues pruned to eliminate duplicates Z: 10 12.091 1.952 0.484 0.667 0.889 0.667 CA 1.341 10 residues pruned to eliminate duplicates Z: 15 12.510 1.794 0.629 0.501 0.857 0.500 CA 1.334 15 residues pruned to eliminate duplicates Z: 17 9.562 1.771 0.463 0.418 0.875 0.438 CB 1.148 17 residues pruned to eliminate duplicates Z: 11 11.495 1.960 0.387 0.557 0.900 0.500 CA 1.406 11 residues pruned to eliminate duplicates Z: 16 9.456 1.794 0.420 0.465 0.867 0.400 CB 1.146 16 residues pruned to eliminate duplicates Z: 23 17.764 2.132 0.513 0.425 0.909 0.455 CB 1.396 23 residues pruned to eliminate duplicates Z: 23 18.619 2.153 0.474 0.412 0.955 0.500 CA 1.438 23 residues pruned to eliminate duplicates Z: 24 15.021 2.115 0.469 0.415 0.826 0.478 CA 1.334 24 residues pruned to eliminate duplicates Z: 37 18.047 1.961 0.540 0.361 0.861 0.361 CB 1.343 37 residues pruned to eliminate duplicates Z: 22 15.483 2.110 0.422 0.406 0.952 0.524 CA 1.305 22 residues pruned to eliminate duplicates Z: 14 7.721 2.003 0.475 0.281 0.692 0.308 CB 1.342 14 residues pruned to eliminate duplicates Z: 10 8.558 2.252 0.462 0.323 0.667 0.444 CB 1.580 10 residues pruned to eliminate duplicates Z: 40 26.771 2.092 0.508 0.651 0.923 0.667 CA 1.279 40 residues pruned to eliminate duplicates Z: 39 30.114 2.074 0.601 0.636 0.921 0.579 CA 1.406 39 residues pruned to eliminate duplicates Z: 26 17.239 2.102 0.514 0.385 0.840 0.360 CA 1.457 26 residues pruned to eliminate duplicates Z: 22 18.858 2.160 0.479 0.392 0.952 0.571 CA 1.516 22 residues pruned to eliminate duplicates Z: 21 15.634 2.118 0.368 0.445 0.900 0.650 CA 1.418 21 residues pruned to eliminate duplicates Z: 41 28.181 2.055 0.562 0.642 0.925 0.775 CA 1.314 41 residues pruned to eliminate duplicates Z: 21 21.090 2.203 0.704 0.448 0.900 0.500 CA 1.473 21 residues pruned to eliminate duplicates Z: 26 19.330 2.027 0.525 0.417 0.960 0.560 CB 1.421 26 residues pruned to eliminate duplicates Z: 22 22.810 2.140 0.711 0.402 1.000 0.476 CB 1.507 22 residues pruned to eliminate duplicates Z: 24 16.907 2.039 0.610 0.401 0.870 0.522 CA 1.370 24 residues pruned to eliminate duplicates Z: 27 16.782 2.035 0.537 0.376 0.846 0.346 CB 1.420 27 residues pruned to eliminate duplicates Z: 35 26.466 2.054 0.682 0.597 0.941 0.588 CA 1.272 35 residues pruned to eliminate duplicates Z: 12 10.139 2.093 0.177 0.487 0.909 0.727 CB 1.382 12 residues pruned to eliminate duplicates Z: 14 15.862 2.105 0.479 0.904 1.000 0.923 CA 1.006 14 residues pruned to eliminate duplicates Z: 23 23.352 1.988 0.615 0.809 0.955 0.636 CA 1.241 23 residues pruned to eliminate duplicates Z: 19 24.405 2.093 0.728 0.920 1.000 0.722 CA 1.120 19 residues pruned to eliminate duplicates Z: 21 22.215 2.049 0.737 0.864 0.900 0.650 CA 1.138 21 residues pruned to eliminate duplicates Z: 23 23.565 1.955 0.607 0.832 0.955 0.727 CA 1.257 23 residues pruned to eliminate duplicates Z: 22 24.126 2.032 0.671 0.853 0.905 0.571 CA 1.267 22 residues pruned to eliminate duplicates Z: 13 15.428 2.127 0.642 0.830 0.750 0.250 CA 1.278 13 residues pruned to eliminate duplicates Z: 17 18.395 1.961 0.732 0.773 0.938 0.625 CA 1.135 17 residues pruned to eliminate duplicates Z: 16 21.781 2.027 0.854 0.838 0.933 0.600 CA 1.199 16 residues pruned to eliminate duplicates Z: 17 19.873 1.927 0.737 0.899 1.000 0.750 CA 1.060 17 residues pruned to eliminate duplicates Z: 34 28.845 1.939 0.780 0.702 0.909 0.697 CA 1.332 34 residues pruned to eliminate duplicates Z: 18 21.598 1.885 0.822 0.815 1.000 0.647 CA 1.160 18 residues pruned to eliminate duplicates Z: 15 23.303 2.026 0.906 0.891 0.929 0.500 CA 1.248 15 residues pruned to eliminate duplicates Z: 19 19.487 1.928 0.851 0.811 0.889 0.500 CA 1.105 19 residues pruned to eliminate duplicates Z: 54 40.788 2.066 0.750 0.578 0.943 0.472 CA 1.524 54 residues pruned to eliminate duplicates Z: 29 30.077 2.034 0.864 0.740 0.893 0.393 CB 1.354 29 residues pruned to eliminate duplicates Z: 25 25.632 1.948 0.847 0.784 0.875 0.458 CA 1.295 25 residues pruned to eliminate duplicates Z: 23 24.309 1.963 0.675 0.816 0.864 0.545 CA 1.387 23 residues pruned to eliminate duplicates Z: 37 33.003 2.007 0.807 0.718 0.944 0.750 CA 1.319 37 residues pruned to eliminate duplicates Z: 16 17.373 2.103 0.438 0.627 0.933 0.400 CB 1.410 16 residues pruned to eliminate duplicates Z: 23 24.633 2.055 0.795 0.623 0.955 0.591 CB 1.328 23 residues pruned to eliminate duplicates Z: 22 16.432 1.958 0.638 0.550 0.857 0.571 CB 1.243 22 residues pruned to eliminate duplicates Z: 63 35.010 2.041 0.541 0.548 0.935 0.613 CB 1.442 81 residues pruned to eliminate duplicates Z: 12 20.150 2.027 0.894 0.859 1.000 0.818 CB 1.165 12 residues pruned to eliminate duplicates Z: 18 18.215 1.971 0.637 0.597 0.941 0.412 CB 1.327 18 residues pruned to eliminate duplicates Z: 34 33.325 2.069 0.774 0.731 0.939 0.485 CB 1.366 34 residues pruned to eliminate duplicates Z: 27 24.112 2.021 0.844 0.641 0.885 0.462 CB 1.257 27 residues pruned to eliminate duplicates Z: 48 33.667 2.073 0.593 0.487 0.957 0.404 CA 1.573 48 residues pruned to eliminate duplicates Z: 13 21.158 2.113 0.757 0.793 1.000 0.417 CB 1.272 13 residues pruned to eliminate duplicates Z: 44 31.435 2.102 0.592 0.504 0.907 0.628 CA 1.573 44 residues pruned to eliminate duplicates Z: 41 27.472 2.065 0.601 0.468 0.925 0.475 CB 1.467 41 residues pruned to eliminate duplicates Z: 19 18.704 1.985 0.610 0.702 0.944 0.778 CB 1.215 19 residues pruned to eliminate duplicates Z: 36 30.071 2.133 0.494 0.525 0.971 0.657 CB 1.602 36 residues pruned to eliminate duplicates Z: 67 42.183 2.053 0.651 0.578 0.970 0.545 CB 1.465 67 residues pruned to eliminate duplicates Z: 26 19.988 1.939 0.711 0.517 0.880 0.520 CB 1.346 26 residues pruned to eliminate duplicates Z: 48 32.130 2.098 0.543 0.498 0.957 0.553 CA 1.516 48 residues pruned to eliminate duplicates Z: 25 20.431 2.107 0.617 0.390 0.875 0.583 CA 1.571 25 residues pruned to eliminate duplicates Z: 50 32.558 2.040 0.611 0.515 0.959 0.531 CB 1.453 50 residues pruned to eliminate duplicates Z: 25 23.210 2.077 0.641 0.406 0.958 0.667 CA 1.600 25 residues pruned to eliminate duplicates Z: 49 26.571 2.037 0.547 0.490 0.875 0.583 CB 1.405 49 residues pruned to eliminate duplicates Z: 44 30.651 2.099 0.601 0.537 0.884 0.512 CA 1.518 44 residues pruned to eliminate duplicates Z: 31 23.616 2.116 0.506 0.444 0.933 0.600 CA 1.535 31 residues pruned to eliminate duplicates Z: 47 29.236 2.096 0.532 0.461 0.891 0.478 CB 1.568 47 residues pruned to eliminate duplicates Z: 43 34.638 2.108 0.664 0.523 0.929 0.619 CB 1.604 43 residues pruned to eliminate duplicates Z: 84 43.090 2.097 0.593 0.554 0.904 0.554 CB 1.487 84 residues pruned to eliminate duplicates Z: 41 30.148 2.093 0.681 0.473 0.900 0.600 CA 1.548 41 residues pruned to eliminate duplicates Z: 23 18.678 2.001 0.606 0.380 0.955 0.636 CA 1.475 23 residues pruned to eliminate duplicates Z: 29 25.461 2.128 0.568 0.446 0.964 0.571 CA 1.581 29 residues pruned to eliminate duplicates Z: 30 24.718 2.110 0.626 0.442 0.931 0.586 CA 1.525 39 residues pruned to eliminate duplicates Z: 7 6.696 1.453 1.020 0.532 1.000 0.500 CA 0.903 7 residues pruned to eliminate duplicates Z: 31 21.497 2.102 0.514 0.380 0.900 0.467 CA 1.557 31 residues pruned to eliminate duplicates Z: 31 25.179 2.092 0.704 0.430 0.867 0.533 CA 1.600 31 residues pruned to eliminate duplicates Z: 34 23.181 2.068 0.522 0.462 0.879 0.515 CB 1.517 34 residues pruned to eliminate duplicates Z: 51 27.171 2.045 0.529 0.451 0.860 0.520 CB 1.502 51 residues pruned to eliminate duplicates Z: 63 32.180 2.057 0.554 0.521 0.855 0.484 CB 1.465 63 residues pruned to eliminate duplicates Z: 31 23.465 2.094 0.705 0.425 0.867 0.500 CA 1.498 31 residues pruned to eliminate duplicates Z: 44 29.864 2.051 0.691 0.481 0.884 0.488 CA 1.514 44 residues pruned to eliminate duplicates Z: 46 33.489 2.074 0.670 0.522 0.933 0.578 CA 1.511 45 residues pruned to eliminate duplicates Z: 9 12.620 1.731 0.728 0.839 1.000 0.750 CA 1.114 9 residues pruned to eliminate duplicates Z: 18 12.727 1.902 0.556 0.518 0.824 0.647 CA 1.244 18 residues pruned to eliminate duplicates Z: 8 3.198 1.657 0.715 0.071 0.714 0.286 CB 1.042 4 residues pruned to eliminate duplicates Z: 8 6.454 1.672 0.636 0.449 0.714 0.286 CB 1.315 8 residues pruned to eliminate duplicates Z: 6 5.918 1.871 0.350 0.414 1.000 0.400 CB 1.146 6 residues pruned to eliminate duplicates Z: 14 14.486 1.809 0.631 0.673 0.923 0.538 CB 1.258 14 residues pruned to eliminate duplicates Z: 10 10.438 1.925 0.501 0.797 0.889 0.667 CB 1.045 10 residues pruned to eliminate duplicates Z: 39 26.400 2.076 0.539 0.473 0.895 0.526 CA 1.539 39 residues pruned to eliminate duplicates Z: 17 15.957 1.849 0.675 0.594 0.812 0.500 CB 1.450 17 residues pruned to eliminate duplicates Z: 32 23.521 2.078 0.554 0.466 0.871 0.452 CA 1.554 32 residues pruned to eliminate duplicates Z: 59 39.843 2.117 0.534 0.623 0.914 0.690 CA 1.570 59 residues pruned to eliminate duplicates Z: 63 43.268 2.120 0.695 0.576 0.903 0.629 CA 1.573 63 residues pruned to eliminate duplicates Z: 16 22.231 2.068 0.731 0.606 0.933 0.333 CB 1.552 16 residues pruned to eliminate duplicates Z: 61 48.827 2.173 0.659 0.601 0.983 0.700 CA 1.615 66 residues pruned to eliminate duplicates Z: 11 18.401 2.052 0.961 0.655 1.000 0.500 CB 1.253 11 residues pruned to eliminate duplicates Z: 24 17.582 2.153 0.680 0.366 0.826 0.478 CA 1.417 24 residues pruned to eliminate duplicates Z: 11 15.316 2.045 1.125 0.494 0.800 0.400 CA 1.401 11 residues pruned to eliminate duplicates Z: 30 26.122 2.144 0.665 0.465 0.897 0.517 CA 1.571 30 residues pruned to eliminate duplicates Z: 64 42.584 2.123 0.617 0.598 0.921 0.683 CA 1.545 64 residues pruned to eliminate duplicates Z: 25 19.283 2.151 0.479 0.381 0.917 0.500 CA 1.531 25 residues pruned to eliminate duplicates Z: 29 23.711 2.145 0.687 0.453 0.857 0.571 CA 1.516 29 residues pruned to eliminate duplicates Z: 31 24.096 2.090 0.652 0.477 0.867 0.467 CA 1.505 31 residues pruned to eliminate duplicates Z: 61 45.086 2.164 0.682 0.610 0.933 0.667 CA 1.544 61 residues pruned to eliminate duplicates Z: 62 37.377 2.111 0.541 0.590 0.902 0.656 CA 1.497 62 residues pruned to eliminate duplicates Z: 50 32.835 2.151 0.590 0.496 0.918 0.551 CA 1.499 50 residues pruned to eliminate duplicates Z: 33 26.849 2.194 0.648 0.465 0.938 0.562 CA 1.451 33 residues pruned to eliminate duplicates Z: 61 45.667 2.163 0.678 0.608 0.967 0.650 CA 1.517 61 residues pruned to eliminate duplicates Z: 61 45.638 2.161 0.753 0.587 0.917 0.650 CA 1.561 61 residues pruned to eliminate duplicates Z: 6 5.163 1.590 0.785 0.415 0.800 0.400 N 1.111 6 residues pruned to eliminate duplicates Z: 34 28.439 2.212 0.572 0.493 0.909 0.667 CA 1.576 34 residues pruned to eliminate duplicates Z: 35 34.093 2.218 0.792 0.532 0.941 0.676 CA 1.515 35 residues pruned to eliminate duplicates Z: 63 42.370 2.103 0.741 0.603 0.919 0.645 CA 1.450 63 residues pruned to eliminate duplicates Z: 61 41.162 2.142 0.608 0.578 0.950 0.683 CA 1.508 61 residues pruned to eliminate duplicates Z: 7 3.897 1.309 0.716 0.497 0.833 0.500 CB 0.852 7 residues pruned to eliminate duplicates Z: 45 40.518 2.112 0.793 0.610 0.909 0.682 CA 1.599 45 residues pruned to eliminate duplicates Z: 6 4.573 1.603 1.111 0.378 0.800 0.600 CA 0.861 6 residues pruned to eliminate duplicates Z: 60 42.285 2.139 0.597 0.573 0.932 0.475 CA 1.612 60 residues pruned to eliminate duplicates Z: 51 30.065 2.064 0.583 0.509 0.880 0.640 CA 1.466 51 residues pruned to eliminate duplicates Z: 59 47.535 2.167 0.744 0.592 0.948 0.569 CA 1.595 59 residues pruned to eliminate duplicates Z: 42 34.463 2.067 0.674 0.615 0.902 0.610 CB 1.545 42 residues pruned to eliminate duplicates Z: 62 39.765 2.128 0.640 0.560 0.918 0.574 CA 1.500 62 residues pruned to eliminate duplicates Z: 63 42.194 2.081 0.634 0.584 0.935 0.548 CA 1.555 63 residues pruned to eliminate duplicates Z: 36 33.908 2.113 0.629 0.649 0.914 0.714 CA 1.585 36 residues pruned to eliminate duplicates Z: 61 39.762 2.105 0.698 0.537 0.900 0.467 CA 1.539 61 residues pruned to eliminate duplicates Z: 40 35.138 2.068 0.846 0.590 0.897 0.538 CB 1.507 40 residues pruned to eliminate duplicates Z: 27 39.485 2.149 0.728 0.763 0.962 0.577 CB 1.716 27 residues pruned to eliminate duplicates Z: 62 45.765 2.138 0.679 0.576 0.951 0.525 CA 1.595 62 residues pruned to eliminate duplicates Z: 62 48.928 2.135 0.746 0.601 0.934 0.475 CA 1.633 62 residues pruned to eliminate duplicates Z: 34 34.928 2.060 0.725 0.712 0.939 0.606 CB 1.503 34 residues pruned to eliminate duplicates Z: 53 38.938 2.142 0.734 0.542 0.885 0.577 CA 1.577 53 residues pruned to eliminate duplicates Z: 22 42.365 2.171 0.863 0.911 0.952 0.571 CB 1.701 22 residues pruned to eliminate duplicates Z: 21 42.002 2.211 0.843 0.915 1.000 0.650 CB 1.629 21 residues pruned to eliminate duplicates Z: 44 43.211 2.168 0.762 0.625 0.930 0.605 CA 1.648 44 residues pruned to eliminate duplicates Z: 46 34.109 2.145 0.817 0.537 0.822 0.422 CB 1.531 46 residues pruned to eliminate duplicates Z: 63 45.938 2.098 0.734 0.585 0.919 0.468 CA 1.607 63 residues pruned to eliminate duplicates Z: 63 40.173 2.115 0.656 0.552 0.871 0.419 CA 1.589 63 residues pruned to eliminate duplicates Z: 61 47.639 2.150 0.801 0.585 0.917 0.550 CA 1.598 61 residues pruned to eliminate duplicates Z: 26 40.687 2.164 0.876 0.803 1.000 0.520 CB 1.539 26 residues pruned to eliminate duplicates Z: 63 45.023 2.091 0.677 0.588 0.952 0.500 CA 1.575 63 residues pruned to eliminate duplicates Z: 24 38.428 2.203 0.897 0.798 0.957 0.348 CB 1.544 24 residues pruned to eliminate duplicates Z: 18 16.081 1.846 0.713 0.566 0.824 0.235 CA 1.405 18 residues pruned to eliminate duplicates Z: 20 9.476 2.001 0.296 0.292 0.789 0.421 CB 1.341 25 residues pruned to eliminate duplicates Z: 7 4.453 1.400 0.640 0.289 1.000 0.500 O 1.003 7 residues pruned to eliminate duplicates Z: 17 8.534 2.088 0.248 0.316 0.750 0.375 CA 1.338 17 residues pruned to eliminate duplicates Z: 19 11.193 1.999 0.436 0.415 0.722 0.444 CA 1.390 22 residues pruned to eliminate duplicates Z: 7 2.886 1.638 0.371 0.383 0.667 0.667 CA 0.891 7 residues pruned to eliminate duplicates Z: 28 9.079 1.947 0.388 0.286 0.667 0.407 CB 1.234 26 residues pruned to eliminate duplicates Z: 7 6.703 1.748 0.666 0.373 1.000 0.667 CA 1.077 7 residues pruned to eliminate duplicates Z: 17 13.402 2.122 0.384 0.441 0.875 0.562 CA 1.386 26 residues pruned to eliminate duplicates Z: 9 5.505 1.540 0.202 0.517 0.875 0.625 CA 1.182 9 residues pruned to eliminate duplicates Z: 20 10.094 1.871 0.313 0.386 0.895 0.316 CB 1.190 20 residues pruned to eliminate duplicates Z: 6 2.439 1.491 0.644 0.129 0.800 0.600 CA 0.884 7 residues pruned to eliminate duplicates Z: 6 2.958 1.876 0.095 0.217 0.600 0.400 CB 1.496 Z: 6 3.355 1.424 0.757 0.255 0.800 0.200 C 0.993 Z: 23 38.260 2.219 0.732 0.819 1.000 0.682 CB 1.609 23 residues pruned to eliminate duplicates Z: 23 33.531 2.199 0.835 0.636 0.955 0.682 CA 1.635 23 residues pruned to eliminate duplicates Z: 50 41.808 2.216 0.577 0.638 0.959 0.633 CA 1.566 50 residues pruned to eliminate duplicates Z: 37 31.276 2.177 0.472 0.671 0.972 0.778 CA 1.430 37 residues pruned to eliminate duplicates Z: 15 29.202 2.224 0.940 0.770 0.929 0.714 CB 1.535 15 residues pruned to eliminate duplicates Z: 52 39.526 2.181 0.612 0.626 0.922 0.706 CA 1.516 52 residues pruned to eliminate duplicates Z: 22 30.121 2.212 0.729 0.640 1.000 0.619 CA 1.507 22 residues pruned to eliminate duplicates Z: 55 42.569 2.172 0.593 0.608 0.963 0.648 CA 1.570 55 residues pruned to eliminate duplicates Z: 41 43.078 2.242 0.640 0.720 0.975 0.650 CA 1.558 41 residues pruned to eliminate duplicates Z: 55 43.595 2.126 0.736 0.627 0.944 0.574 CB 1.510 55 residues pruned to eliminate duplicates Z: 51 44.749 2.175 0.687 0.679 0.940 0.580 CA 1.556 51 residues pruned to eliminate duplicates Z: 76 46.296 2.160 0.780 0.545 0.907 0.587 CB 1.468 76 residues pruned to eliminate duplicates Z: 50 32.221 2.072 0.592 0.538 0.898 0.571 CB 1.498 50 residues pruned to eliminate duplicates Z: 50 46.303 2.227 0.645 0.674 0.980 0.592 CA 1.570 50 residues pruned to eliminate duplicates Z: 53 42.601 2.177 0.638 0.642 0.962 0.596 CA 1.507 53 residues pruned to eliminate duplicates Z: 51 47.574 2.185 0.802 0.661 0.980 0.520 CA 1.502 51 residues pruned to eliminate duplicates Z: 44 47.733 2.214 0.844 0.700 0.977 0.628 CA 1.522 44 residues pruned to eliminate duplicates Z: 73 48.752 2.209 0.701 0.555 0.944 0.542 CB 1.534 73 residues pruned to eliminate duplicates Z: 53 42.875 2.177 0.626 0.623 0.981 0.519 CA 1.525 53 residues pruned to eliminate duplicates Z: 22 45.343 2.283 0.918 0.885 1.000 0.667 CB 1.631 22 residues pruned to eliminate duplicates Z: 52 45.871 2.192 0.735 0.630 0.980 0.569 CA 1.524 52 residues pruned to eliminate duplicates Z: 44 44.585 2.200 0.718 0.694 1.000 0.698 CA 1.507 44 residues pruned to eliminate duplicates Z: 50 43.069 2.201 0.627 0.665 0.959 0.694 CA 1.538 50 residues pruned to eliminate duplicates Z: 58 47.127 2.178 0.740 0.614 0.965 0.579 CA 1.532 60 residues pruned to eliminate duplicates Z: 15 13.923 1.859 0.615 0.639 0.929 0.571 CA 1.172 15 residues pruned to eliminate duplicates Z: 52 43.306 2.161 0.645 0.634 0.980 0.588 CA 1.534 52 residues pruned to eliminate duplicates Z: 43 42.981 2.197 0.726 0.709 0.976 0.714 CA 1.482 43 residues pruned to eliminate duplicates Z: 52 45.823 2.196 0.774 0.639 0.961 0.490 CA 1.505 52 residues pruned to eliminate duplicates Z: 44 45.579 2.204 0.720 0.730 0.977 0.651 CA 1.526 44 residues pruned to eliminate duplicates Z: 55 43.239 2.150 0.770 0.593 0.963 0.556 CB 1.469 55 residues pruned to eliminate duplicates Z: 23 13.384 1.963 0.469 0.449 0.818 0.409 CB 1.274 23 residues pruned to eliminate duplicates Z: 73 43.020 2.190 0.649 0.523 0.889 0.472 CB 1.544 73 residues pruned to eliminate duplicates Z: 42 35.714 2.149 0.685 0.616 0.902 0.415 CA 1.530 42 residues pruned to eliminate duplicates Z: 53 43.784 2.166 0.687 0.630 0.981 0.596 CA 1.500 53 residues pruned to eliminate duplicates Z: 51 47.024 2.179 0.838 0.656 0.960 0.480 CA 1.497 51 residues pruned to eliminate duplicates Z: 21 19.361 2.102 0.538 0.607 0.900 0.350 CB 1.343 21 residues pruned to eliminate duplicates Z: 53 40.202 2.131 0.670 0.606 0.942 0.500 CB 1.503 53 residues pruned to eliminate duplicates Z: 52 43.803 2.194 0.638 0.642 0.980 0.471 CA 1.525 52 residues pruned to eliminate duplicates Z: 53 44.292 2.168 0.667 0.647 1.000 0.538 CA 1.482 53 residues pruned to eliminate duplicates Z: 45 42.038 2.183 0.748 0.678 0.955 0.432 CB 1.476 45 residues pruned to eliminate duplicates Z: 31 25.902 2.223 0.857 0.348 0.933 0.467 CB 1.447 31 residues pruned to eliminate duplicates Z: 74 46.002 2.214 0.717 0.522 0.918 0.507 CB 1.510 74 residues pruned to eliminate duplicates Z: 29 21.825 2.141 0.649 0.460 0.929 0.357 CB 1.311 29 residues pruned to eliminate duplicates Z: 74 51.168 2.205 0.865 0.539 0.932 0.479 CB 1.505 74 residues pruned to eliminate duplicates Z: 31 23.465 2.229 0.762 0.344 0.900 0.433 CB 1.435 31 residues pruned to eliminate duplicates Z: 23 20.666 2.247 0.672 0.350 0.864 0.636 CB 1.597 23 residues pruned to eliminate duplicates Z: 32 17.643 2.140 0.540 0.298 0.839 0.484 CB 1.437 32 residues pruned to eliminate duplicates Z: 25 19.199 2.157 0.764 0.296 0.875 0.458 CB 1.478 25 residues pruned to eliminate duplicates Z: 84 47.965 2.153 0.753 0.526 0.916 0.566 CB 1.484 88 residues pruned to eliminate duplicates Z: 9 5.942 1.956 0.633 0.320 0.750 0.250 CA 1.069 9 residues pruned to eliminate duplicates Z: 39 26.715 2.181 0.708 0.395 0.895 0.342 CB 1.453 39 residues pruned to eliminate duplicates Z: 24 17.285 2.199 0.633 0.343 0.870 0.565 CB 1.370 24 residues pruned to eliminate duplicates Z: 25 18.974 2.136 0.732 0.306 0.875 0.500 CB 1.485 25 residues pruned to eliminate duplicates Z: 21 19.893 2.218 0.820 0.322 0.900 0.500 CB 1.490 21 residues pruned to eliminate duplicates Z: 20 19.696 2.293 0.670 0.343 0.895 0.579 CA 1.564 20 residues pruned to eliminate duplicates Z: 31 19.080 2.162 0.700 0.284 0.833 0.567 CB 1.450 31 residues pruned to eliminate duplicates Z: 16 10.065 2.028 0.463 0.339 0.733 0.467 CA 1.423 16 residues pruned to eliminate duplicates Z: 33 20.634 2.074 0.748 0.307 0.875 0.438 CB 1.425 33 residues pruned to eliminate duplicates Z: 24 18.880 2.209 0.601 0.301 0.913 0.522 CB 1.522 24 residues pruned to eliminate duplicates Z: 31 22.791 2.233 0.744 0.293 0.900 0.467 CB 1.496 31 residues pruned to eliminate duplicates Z: 75 44.709 2.148 0.704 0.525 0.946 0.541 CB 1.464 75 residues pruned to eliminate duplicates Z: 42 30.317 2.103 0.642 0.402 0.927 0.585 CB 1.641 42 residues pruned to eliminate duplicates Z: 20 18.527 2.222 0.801 0.316 0.842 0.684 CA 1.546 20 residues pruned to eliminate duplicates Z: 17 10.206 1.896 0.217 0.430 0.812 0.438 C 1.464 17 residues pruned to eliminate duplicates Z: 45 22.845 1.987 0.629 0.369 0.795 0.568 CB 1.540 45 residues pruned to eliminate duplicates Z: 36 24.459 2.140 0.630 0.319 0.886 0.571 CB 1.633 36 residues pruned to eliminate duplicates Z: 29 21.413 2.083 0.390 0.671 0.893 0.643 CB 1.337 29 residues pruned to eliminate duplicates Z: 11 11.764 2.054 0.465 0.312 0.900 0.500 CB 1.692 11 residues pruned to eliminate duplicates Z: 12 10.031 2.035 0.213 0.319 0.909 0.545 CA 1.646 12 residues pruned to eliminate duplicates Z: 22 20.012 2.188 0.299 0.656 0.952 0.762 CB 1.395 22 residues pruned to eliminate duplicates Z: 14 15.160 2.147 0.361 0.587 0.923 0.692 CB 1.434 14 residues pruned to eliminate duplicates Z: 8 4.702 1.900 0.425 0.201 0.857 0.571 CB 1.092 8 residues pruned to eliminate duplicates Z: 23 19.671 2.195 0.318 0.645 0.864 0.773 CB 1.466 23 residues pruned to eliminate duplicates Z: 18 31.575 2.268 0.728 0.910 0.941 0.765 CB 1.472 18 residues pruned to eliminate duplicates Z: 24 30.600 2.225 0.584 0.732 0.913 0.739 CB 1.609 24 residues pruned to eliminate duplicates Z: 25 26.597 2.166 0.668 0.681 0.792 0.583 CB 1.607 25 residues pruned to eliminate duplicates Z: 18 28.453 2.282 0.468 0.863 0.941 0.706 CB 1.606 18 residues pruned to eliminate duplicates Z: 26 26.425 2.148 0.629 0.700 0.840 0.480 CB 1.498 26 residues pruned to eliminate duplicates Z: 16 29.204 2.239 0.778 0.825 0.867 0.600 CB 1.650 16 residues pruned to eliminate duplicates Z: 24 31.388 2.210 0.583 0.776 0.957 0.478 CB 1.533 24 residues pruned to eliminate duplicates Z: 25 27.877 2.159 0.668 0.716 0.875 0.375 CB 1.485 25 residues pruned to eliminate duplicates Z: 18 25.643 2.102 0.966 0.746 0.824 0.588 CB 1.466 18 residues pruned to eliminate duplicates Z: 27 31.552 2.155 0.827 0.643 0.885 0.500 CB 1.554 27 residues pruned to eliminate duplicates Z: 24 22.343 2.191 0.548 0.757 0.739 0.478 CB 1.478 24 residues pruned to eliminate duplicates Z: 38 27.379 2.164 0.709 0.508 0.811 0.378 CB 1.489 38 residues pruned to eliminate duplicates Z: 25 28.347 2.175 0.688 0.707 0.833 0.292 CB 1.567 25 residues pruned to eliminate duplicates Z: 27 31.455 2.155 0.727 0.695 0.962 0.538 CB 1.443 27 residues pruned to eliminate duplicates Z: 25 31.099 2.176 0.820 0.729 0.833 0.542 CB 1.564 25 residues pruned to eliminate duplicates Z: 25 29.473 2.180 0.689 0.728 0.875 0.458 CB 1.520 25 residues pruned to eliminate duplicates Z: 20 37.212 2.229 0.885 0.890 1.000 0.368 CB 1.462 20 residues pruned to eliminate duplicates Z: 26 33.279 2.175 0.712 0.720 0.960 0.400 CB 1.526 26 residues pruned to eliminate duplicates Z: 15 8.963 1.921 0.196 0.401 0.786 0.429 CB 1.473 15 residues pruned to eliminate duplicates Z: 13 9.624 1.956 0.180 0.347 0.917 0.417 CA 1.550 13 residues pruned to eliminate duplicates Z: 21 9.457 1.789 0.344 0.262 0.900 0.400 CA 1.282 21 residues pruned to eliminate duplicates Z: 36 14.460 1.938 0.187 0.304 0.943 0.371 CB 1.402 36 residues pruned to eliminate duplicates Z: 20 10.491 1.947 0.236 0.314 0.895 0.526 CB 1.372 20 residues pruned to eliminate duplicates Z: 21 10.565 1.889 0.279 0.297 0.900 0.450 CA 1.363 21 residues pruned to eliminate duplicates Z: 25 8.299 1.883 0.200 0.273 0.792 0.458 CB 1.224 25 residues pruned to eliminate duplicates Z: 36 11.629 1.884 0.230 0.316 0.771 0.514 CB 1.347 36 residues pruned to eliminate duplicates Z: 18 12.118 1.908 0.395 0.370 0.941 0.529 CB 1.349 18 residues pruned to eliminate duplicates Z: 35 14.669 1.976 0.142 0.351 0.912 0.382 CB 1.437 35 residues pruned to eliminate duplicates Z: 20 10.751 1.923 0.389 0.338 0.842 0.474 CB 1.308 20 residues pruned to eliminate duplicates Z: 31 12.927 1.951 0.120 0.361 0.900 0.600 CB 1.394 31 residues pruned to eliminate duplicates Z: 20 11.772 1.922 0.261 0.379 0.947 0.526 CB 1.338 20 residues pruned to eliminate duplicates Z: 35 13.409 1.861 0.234 0.357 0.912 0.529 CB 1.281 35 residues pruned to eliminate duplicates Z: 36 13.175 1.932 0.192 0.350 0.857 0.457 CB 1.327 36 residues pruned to eliminate duplicates Z: 40 13.255 1.899 0.185 0.281 0.923 0.359 CB 1.308 40 residues pruned to eliminate duplicates Z: 19 11.263 1.938 0.269 0.344 0.944 0.444 CB 1.354 19 residues pruned to eliminate duplicates Z: 33 14.703 1.917 0.215 0.371 0.938 0.531 CB 1.366 33 residues pruned to eliminate duplicates Z: 26 9.863 1.895 0.168 0.314 0.840 0.480 CB 1.303 26 residues pruned to eliminate duplicates Z: 16 9.048 1.991 0.067 0.370 0.867 0.400 CB 1.459 16 residues pruned to eliminate duplicates Z: 17 7.560 1.901 0.169 0.303 0.875 0.375 CB 1.211 17 residues pruned to eliminate duplicates Z: 16 10.480 1.977 0.129 0.438 0.933 0.400 CA 1.385 16 residues pruned to eliminate duplicates Z: 15 9.540 1.992 0.140 0.371 0.857 0.429 CA 1.504 15 residues pruned to eliminate duplicates Z: 16 10.032 1.942 0.178 0.390 0.867 0.400 CB 1.468 16 residues pruned to eliminate duplicates Z: 38 13.921 1.929 0.211 0.312 0.838 0.405 CB 1.441 38 residues pruned to eliminate duplicates Z: 13 10.720 2.003 0.252 0.410 0.833 0.333 CB 1.627 13 residues pruned to eliminate duplicates Z: 15 10.779 1.882 0.064 0.385 1.000 0.357 CB 1.626 14 residues pruned to eliminate duplicates Z: 6 4.823 1.984 -0.210 0.398 1.000 0.200 CA 1.533 6 residues pruned to eliminate duplicates Z: 15 8.349 1.821 -0.021 0.394 0.929 0.571 CB 1.507 15 residues pruned to eliminate duplicates Z: 14 10.041 1.864 0.122 0.496 0.846 0.462 CA 1.581 14 residues pruned to eliminate duplicates Z: 12 9.601 2.071 0.002 0.486 0.818 0.545 CA 1.729 12 residues pruned to eliminate duplicates 557 residues left after pruning, divided into chains as follows: A: 7 B: 10 C: 7 D: 12 E: 7 F: 7 G: 7 H: 6 I: 8 J: 8 K: 11 L: 9 M: 20 N: 16 O: 13 P: 7 Q: 18 R: 34 S: 6 T: 107 U: 61 V: 17 W: 122 X: 37 CC for partial structure against native data = 20.99 % ------------------------------------------------------------------------------ Global autotracing cycle 9 = 0.300, Contrast = 0.413, Connect. = 0.681 for dens.mod. cycle 1 = 0.300, Contrast = 0.478, Connect. = 0.705 for dens.mod. cycle 2 = 0.300, Contrast = 0.554, Connect. = 0.740 for dens.mod. cycle 3 = 0.300, Contrast = 0.560, Connect. = 0.745 for dens.mod. cycle 4 = 0.300, Contrast = 0.566, Connect. = 0.750 for dens.mod. cycle 5 = 0.300, Contrast = 0.570, Connect. = 0.753 for dens.mod. cycle 6 = 0.300, Contrast = 0.573, Connect. = 0.756 for dens.mod. cycle 7 = 0.300, Contrast = 0.574, Connect. = 0.758 for dens.mod. cycle 8 = 0.300, Contrast = 0.575, Connect. = 0.760 for dens.mod. cycle 9 = 0.300, Contrast = 0.576, Connect. = 0.761 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6739 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1221 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 14.240 1.948 0.562 0.812 0.800 0.400 CB 1.411 B: 11 18.913 2.157 0.637 0.912 0.900 0.900 CB 1.334 C: 21 45.631 2.335 0.768 0.932 1.000 0.750 CA 1.726 D: 7 6.462 2.001 0.230 0.447 1.000 0.833 CB 1.131 E: 23 34.047 2.126 0.448 0.899 1.000 0.773 CA 1.686 F: 22 34.041 2.116 0.427 0.912 1.000 0.857 CA 1.742 24 residues pruned to eliminate duplicates G: 17 35.605 2.268 0.819 0.905 0.938 0.875 CA 1.638 17 residues pruned to eliminate duplicates H: 23 41.093 2.175 0.627 0.908 1.000 0.727 CA 1.759 21 residues pruned to eliminate duplicates I: 22 37.291 2.210 0.682 0.893 1.000 0.810 CB 1.571 22 residues pruned to eliminate duplicates J: 21 25.859 2.086 0.528 0.877 0.950 0.800 CB 1.387 K: 12 15.522 1.984 0.486 0.548 1.000 0.818 N 1.515 L: 12 15.068 2.047 0.274 0.893 1.000 0.909 CB 1.251 12 residues pruned to eliminate duplicates M: 23 14.932 1.987 0.267 0.397 0.864 0.409 CA 1.632 N: 23 40.777 2.183 0.618 0.900 1.000 0.773 CA 1.758 23 residues pruned to eliminate duplicates O: 18 23.956 2.141 0.376 0.892 1.000 0.824 CB 1.417 18 residues pruned to eliminate duplicates P: 22 29.372 2.177 0.276 0.925 0.952 0.810 CB 1.700 22 residues pruned to eliminate duplicates Q: 21 38.796 2.330 0.686 0.909 0.950 0.700 CB 1.650 21 residues pruned to eliminate duplicates R: 22 37.677 2.232 0.842 0.880 0.905 0.524 CB 1.601 22 residues pruned to eliminate duplicates S: 23 16.119 1.995 0.336 0.472 0.818 0.455 CB 1.621 21 residues pruned to eliminate duplicates T: 16 24.013 2.213 0.304 0.885 1.000 0.867 CB 1.551 16 residues pruned to eliminate duplicates U: 21 53.041 2.367 1.009 0.950 1.000 0.750 CB 1.720 21 residues pruned to eliminate duplicates V: 8 21.939 2.295 0.701 0.888 0.857 0.714 CA 1.785 10 residues pruned to eliminate duplicates W: 17 39.658 2.370 0.774 0.923 1.000 0.562 CA 1.657 17 residues pruned to eliminate duplicates X: 16 26.117 2.316 0.506 0.893 0.933 0.800 CB 1.488 19 residues pruned to eliminate duplicates Y: 9 9.759 2.032 0.402 0.431 1.000 0.625 CB 1.301 Z: 22 42.812 2.197 0.743 0.933 1.000 0.571 CB 1.702 23 residues pruned to eliminate duplicates Z: 21 43.972 2.326 0.737 0.920 1.000 0.650 CA 1.713 21 residues pruned to eliminate duplicates Z: 22 33.647 2.174 0.570 0.899 1.000 0.905 CA 1.538 22 residues pruned to eliminate duplicates Z: 12 20.923 1.983 0.508 0.857 1.000 0.818 CA 1.555 9 residues pruned to eliminate duplicates Z: 16 29.870 2.278 0.594 0.874 1.000 0.600 CB 1.546 18 residues pruned to eliminate duplicates Z: 26 12.455 1.849 0.295 0.435 0.800 0.520 CB 1.390 17 residues pruned to eliminate duplicates Z: 21 16.723 2.038 0.294 0.477 0.900 0.450 CA 1.613 22 residues pruned to eliminate duplicates Z: 16 22.922 2.234 0.235 0.907 1.000 0.867 CB 1.526 16 residues pruned to eliminate duplicates Z: 12 22.310 2.024 0.806 0.876 1.000 0.818 CB 1.338 12 residues pruned to eliminate duplicates Z: 21 45.795 2.357 0.874 0.937 0.950 0.700 CB 1.699 21 residues pruned to eliminate duplicates Z: 23 39.538 2.161 0.707 0.923 0.955 0.864 CA 1.682 22 residues pruned to eliminate duplicates Z: 11 13.735 2.162 0.176 0.877 0.900 0.900 CB 1.378 11 residues pruned to eliminate duplicates Z: 58 39.546 2.183 0.538 0.595 0.912 0.649 CA 1.562 23 residues pruned to eliminate duplicates Z: 17 23.139 2.255 0.335 0.894 0.938 0.750 CB 1.470 17 residues pruned to eliminate duplicates Z: 11 14.542 2.021 0.330 0.698 0.900 0.700 CB 1.587 11 residues pruned to eliminate duplicates Z: 13 14.426 2.065 0.723 0.414 0.917 0.667 CA 1.397 13 residues pruned to eliminate duplicates Z: 21 36.701 2.310 0.519 0.882 1.000 0.750 CA 1.692 21 residues pruned to eliminate duplicates Z: 23 37.096 2.173 0.661 0.904 0.955 0.727 CA 1.634 23 residues pruned to eliminate duplicates Z: 20 50.961 2.331 1.070 0.919 1.000 0.895 CA 1.707 20 residues pruned to eliminate duplicates Z: 16 11.978 2.134 0.252 0.385 0.867 0.400 CB 1.509 Z: 7 6.977 1.970 0.435 0.440 1.000 0.667 CB 1.072 7 residues pruned to eliminate duplicates Z: 20 48.443 2.364 0.948 0.936 1.000 0.632 CB 1.681 20 residues pruned to eliminate duplicates Z: 47 30.867 2.123 0.625 0.475 0.848 0.587 CA 1.595 47 residues pruned to eliminate duplicates Z: 23 14.432 1.976 0.444 0.415 0.864 0.636 CA 1.366 12 residues pruned to eliminate duplicates Z: 7 12.245 1.844 0.925 0.618 1.000 0.833 CA 1.259 Z: 15 10.169 1.971 0.558 0.420 0.786 0.429 CB 1.225 9 residues pruned to eliminate duplicates Z: 9 4.792 1.602 0.287 0.433 0.750 0.625 CB 1.173 6 residues pruned to eliminate duplicates Z: 20 52.848 2.350 1.133 0.936 1.000 0.632 CB 1.684 20 residues pruned to eliminate duplicates Z: 6 5.825 2.130 0.224 0.478 0.800 0.800 CB 1.276 Z: 21 45.314 2.329 0.788 0.939 1.000 0.600 CA 1.691 21 residues pruned to eliminate duplicates Z: 9 24.217 2.210 0.798 0.917 1.000 0.875 CB 1.521 9 residues pruned to eliminate duplicates Z: 25 19.801 2.099 0.405 0.398 0.958 0.625 CA 1.593 Z: 18 26.334 2.203 0.595 0.902 1.000 0.647 CB 1.297 16 residues pruned to eliminate duplicates Z: 24 18.862 2.074 0.458 0.456 0.913 0.435 CA 1.491 20 residues pruned to eliminate duplicates Z: 20 43.384 2.304 0.852 0.925 1.000 0.842 CB 1.636 20 residues pruned to eliminate duplicates Z: 19 33.541 2.154 0.890 0.882 0.944 0.722 CB 1.488 19 residues pruned to eliminate duplicates Z: 11 12.017 1.738 0.621 0.811 0.900 0.500 CB 1.143 7 residues pruned to eliminate duplicates Z: 26 19.132 2.084 0.579 0.402 0.960 0.560 CB 1.343 Z: 23 34.837 2.069 0.533 0.915 0.955 0.773 CA 1.733 23 residues pruned to eliminate duplicates Z: 43 30.613 2.129 0.488 0.548 0.881 0.643 CB 1.615 41 residues pruned to eliminate duplicates Z: 37 24.335 2.078 0.402 0.494 0.917 0.556 CB 1.527 40 residues pruned to eliminate duplicates Z: 11 13.462 1.947 0.637 0.779 1.000 0.700 CB 1.044 Z: 10 5.144 1.878 0.106 0.444 0.667 0.333 CB 1.312 10 residues pruned to eliminate duplicates Z: 9 8.555 1.863 0.655 0.427 0.750 0.625 CB 1.411 Z: 17 15.558 2.083 0.464 0.308 0.938 0.500 CA 1.684 17 residues pruned to eliminate duplicates Z: 12 15.227 1.999 0.432 0.801 0.909 0.455 CB 1.356 12 residues pruned to eliminate duplicates Z: 24 9.352 1.937 0.271 0.290 0.739 0.304 CB 1.355 19 residues pruned to eliminate duplicates Z: 61 39.002 2.138 0.587 0.563 0.883 0.583 CA 1.581 61 residues pruned to eliminate duplicates Z: 76 48.275 2.169 0.741 0.535 0.933 0.533 CB 1.528 27 residues pruned to eliminate duplicates Z: 12 10.538 1.843 0.486 0.415 0.909 0.727 CB 1.394 12 residues pruned to eliminate duplicates Z: 23 39.496 2.164 0.603 0.913 1.000 0.591 CA 1.719 23 residues pruned to eliminate duplicates Z: 23 35.353 2.160 0.426 0.918 1.000 0.818 CA 1.726 23 residues pruned to eliminate duplicates Z: 6 2.247 1.575 0.487 0.469 0.600 0.600 CB 0.738 Z: 16 16.643 2.012 0.574 0.546 0.800 0.400 CA 1.621 16 residues pruned to eliminate duplicates Z: 22 38.436 2.197 0.513 0.921 1.000 0.857 CB 1.775 23 residues pruned to eliminate duplicates Z: 6 7.590 1.771 0.563 0.478 0.800 0.600 CB 1.567 Z: 17 25.701 2.110 0.894 0.910 0.875 0.375 CB 1.304 17 residues pruned to eliminate duplicates Z: 29 21.713 2.055 0.709 0.428 0.857 0.464 CB 1.468 29 residues pruned to eliminate duplicates Z: 15 11.839 1.751 0.750 0.412 0.857 0.286 CB 1.321 15 residues pruned to eliminate duplicates Z: 9 16.686 2.207 0.586 0.601 1.000 0.750 CA 1.530 9 residues pruned to eliminate duplicates Z: 11 16.500 1.854 0.784 0.880 1.000 1.000 CA 1.143 14 residues pruned to eliminate duplicates Z: 7 11.561 1.922 0.887 0.529 1.000 0.667 CB 1.265 Z: 32 17.877 2.134 0.533 0.293 0.839 0.484 CB 1.475 32 residues pruned to eliminate duplicates Z: 17 12.320 1.948 0.253 0.554 0.875 0.688 CA 1.369 12 residues pruned to eliminate duplicates Z: 22 43.726 2.286 0.874 0.911 0.952 0.714 CB 1.657 22 residues pruned to eliminate duplicates Z: 23 41.800 2.146 0.738 0.892 0.955 0.455 CB 1.798 22 residues pruned to eliminate duplicates Z: 31 20.221 2.099 0.337 0.542 0.900 0.633 CA 1.403 26 residues pruned to eliminate duplicates Z: 20 48.505 2.336 1.143 0.912 0.947 0.474 CB 1.662 20 residues pruned to eliminate duplicates Z: 16 28.193 2.318 0.546 0.903 0.933 0.733 CB 1.552 16 residues pruned to eliminate duplicates Z: 6 3.365 1.522 0.510 0.826 1.000 0.400 CA 0.494 Z: 20 32.325 2.150 0.721 0.918 0.947 0.579 CB 1.493 20 residues pruned to eliminate duplicates Z: 22 31.366 2.140 0.310 0.933 1.000 0.952 CA 1.704 22 residues pruned to eliminate duplicates Z: 31 14.187 1.988 0.237 0.365 0.867 0.433 CB 1.405 Z: 31 34.347 2.171 0.532 0.722 0.900 0.733 CA 1.715 31 residues pruned to eliminate duplicates Z: 23 18.831 1.961 0.565 0.413 0.955 0.591 CA 1.501 23 residues pruned to eliminate duplicates Z: 26 21.429 2.156 0.770 0.280 0.920 0.440 CB 1.566 27 residues pruned to eliminate duplicates Z: 10 20.583 2.107 0.744 0.817 0.889 0.778 CB 1.595 10 residues pruned to eliminate duplicates Z: 28 21.573 2.038 0.760 0.345 0.889 0.481 CA 1.540 28 residues pruned to eliminate duplicates Z: 18 15.442 1.961 0.344 0.495 0.882 0.529 CA 1.618 18 residues pruned to eliminate duplicates Z: 14 11.761 1.929 0.146 0.878 0.769 0.385 CA 1.392 12 residues pruned to eliminate duplicates Z: 7 6.682 1.608 0.890 0.401 0.833 0.333 CB 1.195 7 residues pruned to eliminate duplicates Z: 19 10.520 2.038 0.464 0.280 0.778 0.500 CA 1.371 8 residues pruned to eliminate duplicates Z: 18 26.151 2.139 0.613 0.873 0.882 0.647 CB 1.517 18 residues pruned to eliminate duplicates Z: 17 21.551 2.006 0.552 0.886 0.812 0.375 CB 1.537 17 residues pruned to eliminate duplicates Z: 23 16.942 2.056 0.467 0.460 0.955 0.545 CB 1.308 23 residues pruned to eliminate duplicates Z: 18 35.027 2.222 0.770 0.928 1.000 0.706 CB 1.512 18 residues pruned to eliminate duplicates Z: 13 9.798 1.990 0.081 0.470 0.917 0.583 CB 1.478 9 residues pruned to eliminate duplicates Z: 12 15.899 1.963 0.577 0.780 0.909 0.545 CB 1.331 12 residues pruned to eliminate duplicates Z: 9 14.826 1.929 0.707 0.861 1.000 0.750 CA 1.169 9 residues pruned to eliminate duplicates Z: 11 14.697 1.773 0.672 0.868 1.000 0.900 CA 1.146 11 residues pruned to eliminate duplicates Z: 12 8.822 1.737 0.237 0.644 0.909 0.545 CA 1.191 12 residues pruned to eliminate duplicates Z: 20 41.549 2.331 0.823 0.910 0.947 0.579 CB 1.680 20 residues pruned to eliminate duplicates Z: 7 10.946 1.892 0.556 0.655 1.000 0.833 CB 1.314 7 residues pruned to eliminate duplicates Z: 10 17.439 2.071 0.632 0.699 1.000 0.556 CB 1.434 Z: 18 28.793 2.214 0.571 0.894 0.941 0.647 CB 1.530 18 residues pruned to eliminate duplicates Z: 13 8.673 1.850 0.618 0.294 0.833 0.333 CA 1.263 13 residues pruned to eliminate duplicates Z: 19 13.194 1.812 0.597 0.540 0.833 0.611 CB 1.241 11 residues pruned to eliminate duplicates Z: 18 18.472 2.120 0.150 0.871 1.000 0.765 CB 1.340 18 residues pruned to eliminate duplicates Z: 25 16.242 2.079 0.492 0.391 0.833 0.542 CB 1.440 25 residues pruned to eliminate duplicates Z: 13 9.678 1.973 0.176 0.492 0.833 0.667 CA 1.456 Z: 12 23.026 2.048 0.876 0.890 1.000 0.909 CB 1.301 12 residues pruned to eliminate duplicates Z: 20 45.597 2.316 1.032 0.927 0.947 0.421 CB 1.644 20 residues pruned to eliminate duplicates Z: 21 38.548 2.302 0.589 0.894 1.000 0.650 CB 1.690 21 residues pruned to eliminate duplicates Z: 10 11.040 1.875 0.245 0.779 0.889 0.444 CB 1.387 10 residues pruned to eliminate duplicates Z: 20 37.263 2.291 0.762 0.902 1.000 0.684 CB 1.511 20 residues pruned to eliminate duplicates Z: 21 51.482 2.347 1.007 0.949 1.000 0.700 CB 1.686 21 residues pruned to eliminate duplicates Z: 17 11.014 2.156 0.358 0.363 0.750 0.562 CB 1.453 13 residues pruned to eliminate duplicates Z: 18 11.509 2.008 0.481 0.315 0.882 0.647 CA 1.305 18 residues pruned to eliminate duplicates Z: 36 19.937 2.039 0.225 0.530 0.943 0.657 CB 1.390 36 residues pruned to eliminate duplicates Z: 6 6.933 1.903 0.869 0.571 0.800 0.600 CB 1.017 6 residues pruned to eliminate duplicates Z: 20 16.511 2.092 0.245 0.556 0.895 0.474 CB 1.540 20 residues pruned to eliminate duplicates Z: 14 7.150 1.939 0.144 0.440 0.769 0.462 CB 1.237 14 residues pruned to eliminate duplicates Z: 23 38.991 2.144 0.548 0.923 1.000 0.682 CA 1.760 23 residues pruned to eliminate duplicates Z: 6 7.702 1.770 0.601 0.684 0.800 0.600 CA 1.283 6 residues pruned to eliminate duplicates Z: 21 38.723 2.203 0.825 0.927 0.950 0.600 CB 1.588 21 residues pruned to eliminate duplicates Z: 22 30.496 2.038 0.648 0.885 0.857 0.810 CA 1.670 22 residues pruned to eliminate duplicates Z: 19 21.048 2.122 0.360 0.860 1.000 0.556 CB 1.264 19 residues pruned to eliminate duplicates Z: 11 12.432 2.102 0.092 0.882 1.000 0.700 CB 1.240 11 residues pruned to eliminate duplicates Z: 19 33.086 2.210 0.759 0.875 1.000 0.389 CB 1.460 19 residues pruned to eliminate duplicates Z: 33 26.707 2.092 0.601 0.472 0.906 0.500 CA 1.600 34 residues pruned to eliminate duplicates Z: 6 10.719 1.858 1.259 0.668 0.800 0.800 CB 1.223 6 residues pruned to eliminate duplicates Z: 31 29.782 2.116 0.352 0.724 0.933 0.767 CA 1.665 31 residues pruned to eliminate duplicates Z: 22 34.554 2.186 0.387 0.899 1.000 0.667 CA 1.777 22 residues pruned to eliminate duplicates Z: 6 2.531 1.432 0.511 0.340 0.600 0.400 C 1.039 Z: 14 17.554 2.007 0.869 0.599 0.923 0.615 CA 1.279 14 residues pruned to eliminate duplicates Z: 22 11.532 1.906 0.211 0.345 0.905 0.524 CB 1.426 20 residues pruned to eliminate duplicates Z: 7 4.397 1.391 0.400 0.775 0.833 0.667 CB 0.868 7 residues pruned to eliminate duplicates Z: 62 43.481 2.098 0.631 0.598 0.934 0.705 CA 1.585 62 residues pruned to eliminate duplicates Z: 28 19.883 2.048 0.548 0.532 0.926 0.593 CA 1.263 28 residues pruned to eliminate duplicates Z: 18 13.737 1.952 0.289 0.568 0.824 0.412 CB 1.506 18 residues pruned to eliminate duplicates Z: 21 16.245 2.031 0.398 0.426 0.900 0.550 CA 1.535 21 residues pruned to eliminate duplicates Z: 23 16.507 2.139 0.535 0.346 0.818 0.455 CB 1.548 23 residues pruned to eliminate duplicates Z: 19 7.235 1.838 0.131 0.364 0.944 0.500 CB 1.005 19 residues pruned to eliminate duplicates Z: 23 35.681 2.138 0.468 0.923 1.000 0.909 CA 1.703 23 residues pruned to eliminate duplicates Z: 25 18.338 2.094 0.615 0.365 0.833 0.500 CB 1.535 25 residues pruned to eliminate duplicates Z: 24 18.086 2.098 0.504 0.532 0.826 0.478 CB 1.402 24 residues pruned to eliminate duplicates Z: 16 18.779 1.851 0.812 0.816 0.933 0.333 CA 1.177 9 residues pruned to eliminate duplicates Z: 15 15.739 2.122 0.699 0.409 0.857 0.429 CB 1.499 16 residues pruned to eliminate duplicates Z: 13 8.726 1.907 0.400 0.490 0.750 0.583 CB 1.271 13 residues pruned to eliminate duplicates Z: 7 4.076 1.654 -0.108 0.523 0.833 0.500 CA 1.322 7 residues pruned to eliminate duplicates Z: 8 7.351 1.427 0.297 0.823 1.000 0.714 O 1.134 8 residues pruned to eliminate duplicates Z: 7 3.513 1.627 -0.035 0.423 0.833 0.667 CB 1.187 Z: 10 5.649 1.776 0.187 0.444 0.889 0.556 CA 1.065 10 residues pruned to eliminate duplicates Z: 10 4.694 1.479 0.213 0.444 0.778 0.444 O 1.188 9 residues pruned to eliminate duplicates Z: 11 13.971 2.058 0.317 0.521 1.000 0.700 N 1.596 Z: 17 12.151 1.963 0.219 0.553 0.875 0.500 CB 1.378 17 residues pruned to eliminate duplicates Z: 66 44.396 2.106 0.774 0.577 0.923 0.431 CB 1.483 67 residues pruned to eliminate duplicates Z: 22 41.985 2.239 0.804 0.903 1.000 0.571 CA 1.617 22 residues pruned to eliminate duplicates Z: 18 9.526 2.030 0.236 0.379 0.765 0.529 CA 1.370 18 residues pruned to eliminate duplicates Z: 13 5.919 1.962 0.565 0.356 0.833 0.583 CB 0.780 13 residues pruned to eliminate duplicates Z: 19 12.975 1.867 0.500 0.327 0.944 0.556 CA 1.397 19 residues pruned to eliminate duplicates Z: 9 13.046 1.964 0.504 0.663 0.875 0.625 CA 1.534 9 residues pruned to eliminate duplicates Z: 34 38.728 2.205 0.538 0.698 1.000 0.818 CA 1.659 34 residues pruned to eliminate duplicates Z: 18 5.607 1.744 0.325 0.262 0.765 0.529 CA 1.009 18 residues pruned to eliminate duplicates Z: 13 15.290 1.975 0.377 0.836 0.917 0.500 CA 1.326 13 residues pruned to eliminate duplicates Z: 6 12.391 2.028 0.646 0.866 1.000 0.600 CA 1.215 6 residues pruned to eliminate duplicates Z: 46 28.738 2.093 0.481 0.512 0.911 0.511 CA 1.499 46 residues pruned to eliminate duplicates Z: 22 39.166 2.198 0.686 0.922 0.952 0.667 CB 1.703 22 residues pruned to eliminate duplicates Z: 13 21.981 2.022 0.649 0.915 0.917 0.750 CB 1.467 13 residues pruned to eliminate duplicates Z: 9 3.715 1.786 0.355 0.341 0.750 0.375 CB 0.860 9 residues pruned to eliminate duplicates Z: 15 10.493 1.776 0.575 0.372 0.857 0.429 CA 1.341 15 residues pruned to eliminate duplicates Z: 25 28.115 2.103 0.619 0.592 0.958 0.708 CA 1.610 25 residues pruned to eliminate duplicates Z: 10 14.943 1.848 0.736 0.786 0.889 0.333 CA 1.358 10 residues pruned to eliminate duplicates Z: 11 17.385 2.050 0.403 0.839 1.000 0.800 CB 1.428 11 residues pruned to eliminate duplicates Z: 33 17.612 1.941 0.542 0.386 0.812 0.469 CB 1.445 33 residues pruned to eliminate duplicates Z: 8 4.142 1.472 0.206 0.515 0.857 0.714 CB 1.014 Z: 39 23.919 2.023 0.530 0.467 0.842 0.474 CA 1.540 38 residues pruned to eliminate duplicates Z: 7 5.187 1.739 0.216 0.685 1.000 0.833 CB 0.845 Z: 19 7.128 2.009 -0.018 0.336 0.722 0.500 CB 1.410 19 residues pruned to eliminate duplicates Z: 17 10.544 2.012 0.375 0.411 0.875 0.750 CB 1.195 11 residues pruned to eliminate duplicates Z: 21 9.669 1.748 0.463 0.391 0.800 0.600 CA 1.186 22 residues pruned to eliminate duplicates Z: 9 10.530 1.994 0.308 0.591 1.000 0.750 CB 1.308 Z: 18 11.243 2.053 0.187 0.376 0.941 0.647 CB 1.358 18 residues pruned to eliminate duplicates Z: 18 23.199 2.130 0.755 0.905 0.824 0.353 CB 1.302 18 residues pruned to eliminate duplicates Z: 14 10.870 1.803 0.524 0.357 0.923 0.538 CB 1.388 14 residues pruned to eliminate duplicates Z: 20 46.180 2.223 1.090 0.891 1.000 0.474 CB 1.639 20 residues pruned to eliminate duplicates Z: 22 17.938 2.214 0.587 0.287 0.905 0.429 CB 1.565 22 residues pruned to eliminate duplicates Z: 11 7.289 2.050 0.088 0.331 0.900 0.300 CB 1.382 13 residues pruned to eliminate duplicates Z: 8 3.498 1.702 0.652 0.208 0.714 0.286 CB 0.930 8 residues pruned to eliminate duplicates Z: 7 3.659 1.658 0.226 0.402 0.833 0.333 CA 0.977 4 residues pruned to eliminate duplicates Z: 8 8.064 2.011 0.701 0.517 0.714 0.714 CB 1.226 10 residues pruned to eliminate duplicates Z: 38 15.035 1.982 0.220 0.346 0.865 0.459 CB 1.396 37 residues pruned to eliminate duplicates Z: 14 9.864 1.777 0.413 0.531 0.846 0.538 CA 1.249 11 residues pruned to eliminate duplicates Z: 7 4.327 1.808 0.418 0.296 0.833 0.500 N 1.038 Z: 16 14.695 2.046 0.348 0.412 0.933 0.467 CA 1.616 16 residues pruned to eliminate duplicates Z: 6 6.390 1.551 0.752 0.581 1.000 0.800 CB 0.973 6 residues pruned to eliminate duplicates Z: 22 28.715 2.047 0.364 0.920 1.000 0.952 CB 1.580 22 residues pruned to eliminate duplicates Z: 17 12.036 1.902 0.433 0.442 0.938 0.625 CA 1.250 17 residues pruned to eliminate duplicates Z: 6 3.268 1.776 0.005 0.476 1.000 1.000 CB 0.839 6 residues pruned to eliminate duplicates Z: 54 39.119 2.153 0.551 0.619 0.962 0.660 CA 1.495 54 residues pruned to eliminate duplicates Z: 16 9.939 1.904 0.330 0.389 0.867 0.600 CA 1.315 16 residues pruned to eliminate duplicates Z: 19 14.783 1.930 0.527 0.420 0.944 0.611 CA 1.361 19 residues pruned to eliminate duplicates Z: 7 3.164 1.569 0.086 0.244 0.833 0.667 CA 1.223 7 residues pruned to eliminate duplicates Z: 11 15.409 2.137 0.784 0.599 0.900 0.600 CB 1.292 11 residues pruned to eliminate duplicates Z: 14 8.409 1.964 0.409 0.450 0.769 0.385 CA 1.153 14 residues pruned to eliminate duplicates Z: 10 15.212 1.859 0.403 0.837 1.000 0.889 CB 1.454 9 residues pruned to eliminate duplicates Z: 10 14.229 1.942 0.376 0.656 1.000 0.889 N 1.535 10 residues pruned to eliminate duplicates Z: 12 4.298 1.706 0.283 0.228 0.727 0.182 CA 1.118 12 residues pruned to eliminate duplicates Z: 18 12.961 2.043 0.652 0.469 0.824 0.471 CB 1.168 17 residues pruned to eliminate duplicates Z: 9 10.869 1.954 0.563 0.827 1.000 0.750 CB 0.948 9 residues pruned to eliminate duplicates Z: 6 5.551 1.746 0.213 0.402 1.000 0.600 CB 1.301 Z: 18 13.374 1.859 0.304 0.445 0.941 0.706 CB 1.504 14 residues pruned to eliminate duplicates Z: 11 10.659 1.928 0.273 0.870 1.000 0.800 CB 1.002 11 residues pruned to eliminate duplicates Z: 12 8.813 1.640 0.424 0.643 0.909 0.727 CA 1.095 12 residues pruned to eliminate duplicates Z: 16 11.399 2.009 0.436 0.501 0.800 0.600 CA 1.274 16 residues pruned to eliminate duplicates Z: 34 15.099 1.996 0.138 0.372 0.909 0.636 CB 1.459 34 residues pruned to eliminate duplicates Z: 41 45.769 2.240 0.616 0.690 0.975 0.775 CA 1.723 41 residues pruned to eliminate duplicates Z: 18 12.145 1.900 0.476 0.490 0.765 0.412 CB 1.388 18 residues pruned to eliminate duplicates Z: 44 35.624 2.187 0.463 0.693 0.953 0.744 CA 1.492 44 residues pruned to eliminate duplicates Z: 31 20.194 2.222 0.656 0.302 0.833 0.567 CB 1.499 31 residues pruned to eliminate duplicates Z: 6 5.495 1.883 0.655 0.404 0.800 0.600 CA 1.090 6 residues pruned to eliminate duplicates Z: 7 4.644 1.598 1.278 0.411 0.500 0.500 CB 1.144 Z: 6 7.474 1.714 0.668 0.591 1.000 1.000 CB 1.072 4 residues pruned to eliminate duplicates Z: 8 2.436 1.379 0.148 0.399 0.857 0.714 CB 0.755 Z: 14 13.005 1.905 0.129 0.884 1.000 0.692 CA 1.212 14 residues pruned to eliminate duplicates Z: 17 8.332 1.894 0.538 0.370 0.750 0.562 CB 1.096 17 residues pruned to eliminate duplicates Z: 8 8.023 1.854 0.121 0.763 1.000 0.429 CB 1.155 Z: 13 8.019 1.596 0.428 0.454 0.833 0.750 CB 1.278 Z: 9 5.176 1.698 0.274 0.579 0.875 0.625 CB 0.896 9 residues pruned to eliminate duplicates Z: 11 6.730 1.720 0.195 0.451 0.900 0.400 CA 1.210 11 residues pruned to eliminate duplicates Z: 9 4.761 1.678 0.088 0.588 0.875 0.750 CB 0.968 Z: 7 9.089 1.931 0.495 0.568 1.000 0.833 CA 1.204 7 residues pruned to eliminate duplicates Z: 6 4.507 1.644 0.103 0.760 1.000 0.800 CB 0.882 6 residues pruned to eliminate duplicates Z: 21 33.173 2.286 0.489 0.888 0.950 0.900 CA 1.652 21 residues pruned to eliminate duplicates Z: 6 5.815 1.565 0.460 0.689 0.800 0.800 N 1.197 6 residues pruned to eliminate duplicates Z: 29 19.837 2.026 0.481 0.538 0.964 0.607 CA 1.248 29 residues pruned to eliminate duplicates Z: 13 11.239 1.928 0.660 0.473 0.833 0.583 CB 1.250 Z: 20 18.075 2.017 0.479 0.499 0.842 0.474 N 1.652 23 residues pruned to eliminate duplicates Z: 6 2.425 1.435 0.072 0.300 0.800 0.400 CB 1.102 Z: 9 11.288 2.019 0.683 0.861 0.750 0.500 CA 1.151 9 residues pruned to eliminate duplicates Z: 14 8.538 1.855 0.258 0.359 0.923 0.538 CB 1.280 14 residues pruned to eliminate duplicates Z: 28 32.626 2.158 0.674 0.700 0.963 0.741 CA 1.503 28 residues pruned to eliminate duplicates Z: 19 30.705 2.096 0.767 0.900 0.944 0.667 CB 1.478 19 residues pruned to eliminate duplicates Z: 18 11.935 1.929 0.172 0.519 0.882 0.647 CB 1.425 18 residues pruned to eliminate duplicates Z: 6 4.792 1.602 -0.011 0.646 1.000 0.800 C 1.180 3 residues pruned to eliminate duplicates Z: 8 4.346 1.593 0.001 0.564 0.857 0.714 CB 1.129 8 residues pruned to eliminate duplicates Z: 26 17.450 2.010 0.732 0.446 0.720 0.440 CA 1.472 26 residues pruned to eliminate duplicates Z: 22 37.828 2.211 0.481 0.905 1.000 0.810 CA 1.795 22 residues pruned to eliminate duplicates Z: 10 15.365 2.029 0.769 0.845 0.889 0.444 CB 1.193 10 residues pruned to eliminate duplicates Z: 11 3.334 1.505 0.262 0.238 0.700 0.400 CB 1.074 11 residues pruned to eliminate duplicates Z: 31 41.621 2.247 0.790 0.723 1.000 0.533 CA 1.545 32 residues pruned to eliminate duplicates Z: 13 5.532 1.633 0.477 0.460 0.750 0.417 CB 0.920 13 residues pruned to eliminate duplicates Z: 8 4.559 1.617 0.283 0.227 0.857 0.571 O 1.332 8 residues pruned to eliminate duplicates Z: 22 23.286 2.150 0.718 0.394 0.905 0.524 CA 1.701 22 residues pruned to eliminate duplicates Z: 9 8.316 1.958 0.402 0.400 0.875 0.375 CB 1.360 9 residues pruned to eliminate duplicates Z: 7 9.620 1.605 0.558 0.835 1.000 1.000 CB 1.176 Z: 23 17.226 2.111 0.625 0.289 0.909 0.409 CB 1.492 23 residues pruned to eliminate duplicates Z: 20 10.400 1.866 0.520 0.328 0.842 0.684 CB 1.206 33 residues pruned to eliminate duplicates Z: 6 14.420 1.943 1.076 0.634 1.000 0.800 CB 1.411 7 residues pruned to eliminate duplicates Z: 8 7.910 1.984 -0.002 0.706 1.000 0.714 CB 1.253 8 residues pruned to eliminate duplicates Z: 10 7.332 1.570 0.502 0.433 0.889 0.667 CA 1.249 Z: 18 17.138 2.088 0.750 0.346 0.941 0.412 CB 1.429 14 residues pruned to eliminate duplicates Z: 21 18.504 2.204 0.638 0.364 0.900 0.700 CB 1.473 22 residues pruned to eliminate duplicates Z: 9 4.841 1.865 -0.031 0.576 0.875 0.625 CB 1.006 9 residues pruned to eliminate duplicates Z: 30 21.911 2.061 0.454 0.435 0.931 0.586 CB 1.560 30 residues pruned to eliminate duplicates Z: 8 9.782 1.707 0.790 0.438 1.000 0.571 N 1.290 10 residues pruned to eliminate duplicates Z: 14 5.112 1.557 0.703 0.392 0.692 0.462 CB 0.866 7 residues pruned to eliminate duplicates Z: 23 14.651 2.020 0.643 0.317 0.909 0.500 CA 1.266 23 residues pruned to eliminate duplicates Z: 11 5.847 1.854 0.519 0.248 0.700 0.300 CB 1.254 11 residues pruned to eliminate duplicates Z: 23 9.095 1.769 0.178 0.446 0.818 0.545 CB 1.202 23 residues pruned to eliminate duplicates Z: 20 15.043 1.936 0.378 0.399 0.895 0.474 CB 1.608 20 residues pruned to eliminate duplicates Z: 13 9.261 1.711 0.238 0.477 0.917 0.750 CB 1.410 Z: 10 6.982 1.930 0.335 0.490 0.778 0.556 CA 1.173 10 residues pruned to eliminate duplicates Z: 21 47.379 2.305 0.913 0.950 1.000 0.650 CA 1.657 21 residues pruned to eliminate duplicates Z: 30 19.392 2.046 0.610 0.374 0.897 0.517 CA 1.395 30 residues pruned to eliminate duplicates Z: 16 8.687 1.910 0.075 0.360 0.933 0.467 CB 1.361 16 residues pruned to eliminate duplicates Z: 9 5.293 1.871 0.230 0.261 0.875 0.625 CB 1.221 Z: 18 12.671 1.927 0.294 0.408 0.941 0.471 CB 1.442 18 residues pruned to eliminate duplicates Z: 11 14.100 1.906 0.435 0.770 0.900 0.500 CB 1.425 13 residues pruned to eliminate duplicates Z: 49 27.516 2.079 0.503 0.489 0.875 0.583 CA 1.468 48 residues pruned to eliminate duplicates Z: 15 15.038 2.116 0.460 0.447 0.929 0.643 CA 1.480 15 residues pruned to eliminate duplicates Z: 18 18.473 1.707 0.809 0.905 1.000 0.588 CA 1.033 18 residues pruned to eliminate duplicates Z: 13 8.900 1.716 0.357 0.468 0.917 0.667 CA 1.243 13 residues pruned to eliminate duplicates Z: 13 9.300 1.798 0.479 0.372 0.917 0.500 CB 1.262 13 residues pruned to eliminate duplicates 6 1.093 1.252 -0.068 0.460 0.800 0.400 CB 0.545 ? Z: 10 13.541 2.125 0.426 0.869 1.000 0.667 CB 1.088 10 residues pruned to eliminate duplicates Z: 7 4.104 1.748 0.127 0.666 1.000 1.000 CB 0.730 7 residues pruned to eliminate duplicates Z: 22 40.442 2.209 0.584 0.947 1.000 0.905 CB 1.743 22 residues pruned to eliminate duplicates Z: 17 16.903 1.999 0.545 0.444 0.938 0.625 CA 1.546 17 residues pruned to eliminate duplicates Z: 15 7.690 1.718 0.352 0.576 0.786 0.429 CB 1.046 15 residues pruned to eliminate duplicates Z: 16 8.141 1.631 0.571 0.452 0.867 0.533 CA 0.994 18 residues pruned to eliminate duplicates Z: 8 2.604 1.589 0.402 0.283 0.714 0.571 CB 0.790 Z: 11 4.093 1.790 -0.098 0.377 0.900 0.500 CB 1.015 6 residues pruned to eliminate duplicates Z: 17 11.327 1.848 0.291 0.477 0.938 0.438 CB 1.296 22 residues pruned to eliminate duplicates Z: 37 22.999 1.996 0.620 0.417 0.861 0.500 CB 1.501 79 residues pruned to eliminate duplicates Z: 11 22.695 2.032 0.475 0.890 1.000 0.600 CB 1.723 11 residues pruned to eliminate duplicates Z: 8 6.674 1.699 0.586 0.534 0.714 0.429 N 1.269 8 residues pruned to eliminate duplicates Z: 6 2.318 1.471 0.256 0.515 0.600 0.600 C 0.922 6 residues pruned to eliminate duplicates Z: 6 2.881 1.279 0.529 0.562 1.000 0.400 CB 0.620 Z: 6 7.420 1.779 0.608 0.487 0.800 0.600 CA 1.469 6 residues pruned to eliminate duplicates Z: 24 38.537 2.085 0.780 0.914 0.957 0.609 CB 1.601 24 residues pruned to eliminate duplicates Z: 7 6.798 1.918 0.076 0.364 1.000 0.667 CA 1.556 Z: 6 6.582 1.724 0.371 0.536 0.800 0.400 CB 1.502 Z: 23 13.799 1.992 0.279 0.449 0.773 0.409 CA 1.573 21 residues pruned to eliminate duplicates Z: 17 17.885 1.898 0.725 0.900 0.875 0.625 CA 1.115 17 residues pruned to eliminate duplicates 6 1.878 1.279 0.095 0.286 0.800 0.600 CB 0.954 ? Z: 24 12.210 1.850 0.256 0.569 0.826 0.652 CA 1.240 24 residues pruned to eliminate duplicates Z: 12 5.498 1.632 0.363 0.437 0.727 0.273 CA 1.094 Z: 55 22.714 2.016 0.379 0.394 0.852 0.444 CB 1.459 55 residues pruned to eliminate duplicates Z: 6 3.424 1.556 0.089 0.500 0.800 0.600 CB 1.130 Z: 37 16.961 1.906 0.548 0.355 0.833 0.472 CB 1.344 37 residues pruned to eliminate duplicates Z: 11 5.019 1.673 0.572 0.317 0.700 0.400 CB 1.056 11 residues pruned to eliminate duplicates Z: 9 9.986 2.092 0.387 0.531 1.000 0.625 CB 1.180 9 residues pruned to eliminate duplicates Z: 30 41.749 2.214 0.794 0.729 1.000 0.483 CA 1.589 30 residues pruned to eliminate duplicates Z: 45 36.381 2.182 0.561 0.610 0.909 0.773 CA 1.595 45 residues pruned to eliminate duplicates Z: 33 37.547 2.184 0.744 0.676 1.000 0.594 CA 1.482 33 residues pruned to eliminate duplicates Z: 7 8.147 1.812 0.207 0.667 1.000 0.667 CA 1.304 6 residues pruned to eliminate duplicates Z: 10 14.925 1.994 0.146 0.876 1.000 0.889 CA 1.583 10 residues pruned to eliminate duplicates Z: 14 8.485 2.064 0.340 0.325 0.846 0.538 CA 1.218 14 residues pruned to eliminate duplicates Z: 9 3.178 1.823 0.584 0.218 0.500 0.250 CB 1.083 9 residues pruned to eliminate duplicates Z: 9 11.598 1.806 0.612 0.838 0.875 0.500 CA 1.203 9 residues pruned to eliminate duplicates Z: 19 24.091 2.053 0.662 0.893 0.944 0.722 CB 1.265 19 residues pruned to eliminate duplicates Z: 13 15.547 1.874 0.478 0.808 0.917 0.833 CA 1.351 13 residues pruned to eliminate duplicates Z: 20 14.787 1.909 0.384 0.912 0.895 0.684 CA 1.016 20 residues pruned to eliminate duplicates Z: 6 3.734 1.607 0.308 0.600 0.800 0.400 CB 0.903 Z: 6 2.777 1.507 0.690 0.398 0.800 0.400 CB 0.679 Z: 51 45.644 2.186 0.791 0.655 0.980 0.520 CB 1.457 51 residues pruned to eliminate duplicates Z: 13 10.129 1.983 0.442 0.470 0.917 0.667 CB 1.150 Z: 8 2.578 1.413 0.202 0.419 0.714 0.429 CA 0.875 Z: 14 9.060 1.951 0.078 0.439 0.923 0.615 CA 1.380 6 residues pruned to eliminate duplicates Z: 8 5.535 1.605 0.154 0.561 0.857 0.714 CA 1.242 9 residues pruned to eliminate duplicates Z: 6 3.939 1.719 0.014 0.485 0.800 0.600 CB 1.283 Z: 8 7.398 1.765 0.267 0.545 0.857 0.714 CB 1.395 8 residues pruned to eliminate duplicates Z: 9 3.817 1.644 0.238 0.366 0.750 0.500 CB 1.021 Z: 11 4.841 1.574 0.063 0.541 0.800 0.700 CB 1.099 Z: 8 7.366 1.957 0.449 0.553 1.000 0.714 CB 0.932 8 residues pruned to eliminate duplicates Z: 10 13.035 1.867 0.506 0.886 1.000 0.889 CB 1.115 10 residues pruned to eliminate duplicates Z: 19 22.632 2.138 0.579 0.851 0.944 0.667 CB 1.239 19 residues pruned to eliminate duplicates Z: 17 11.848 1.910 0.377 0.402 0.812 0.438 CA 1.537 16 residues pruned to eliminate duplicates Z: 6 4.323 1.781 0.405 0.330 0.600 0.400 CA 1.551 6 residues pruned to eliminate duplicates Z: 23 30.361 2.024 0.745 0.675 1.000 0.818 CA 1.561 23 residues pruned to eliminate duplicates Z: 20 18.462 2.137 0.356 0.572 0.895 0.632 CA 1.523 20 residues pruned to eliminate duplicates Z: 7 3.386 1.740 0.692 0.747 0.833 0.667 CB 0.452 7 residues pruned to eliminate duplicates Z: 9 7.530 1.851 0.002 0.858 0.875 0.750 CA 1.208 9 residues pruned to eliminate duplicates Z: 7 4.599 1.694 0.331 0.493 0.667 0.500 CB 1.258 7 residues pruned to eliminate duplicates Z: 21 13.425 2.106 0.511 0.350 0.800 0.500 CA 1.387 21 residues pruned to eliminate duplicates Z: 11 6.199 1.568 0.094 0.590 0.900 0.400 CA 1.164 11 residues pruned to eliminate duplicates Z: 11 6.414 1.881 0.080 0.489 0.900 0.500 CB 1.122 9 residues pruned to eliminate duplicates Z: 6 4.184 1.656 0.301 0.432 0.800 0.600 CA 1.165 Z: 14 5.922 1.847 0.293 0.163 0.846 0.462 CB 1.227 14 residues pruned to eliminate duplicates Z: 14 7.961 1.930 0.073 0.471 0.846 0.385 CB 1.298 14 residues pruned to eliminate duplicates Z: 12 4.905 1.685 0.450 0.302 0.909 0.364 CB 0.831 12 residues pruned to eliminate duplicates Z: 13 6.876 1.671 0.210 0.405 0.833 0.500 CA 1.301 13 residues pruned to eliminate duplicates Z: 10 4.717 1.456 0.467 0.414 0.889 0.778 CA 0.906 10 residues pruned to eliminate duplicates Z: 6 2.650 1.393 0.337 0.360 1.000 0.600 CB 0.740 Z: 7 5.740 1.776 0.355 0.591 0.833 0.667 CB 1.071 5 residues pruned to eliminate duplicates Z: 6 3.051 1.334 0.730 0.426 0.800 0.800 CB 0.799 Z: 6 5.782 1.921 0.075 0.579 0.800 0.800 N 1.450 6 residues pruned to eliminate duplicates Z: 11 15.322 2.097 0.396 0.800 0.900 0.500 CB 1.415 11 residues pruned to eliminate duplicates Z: 20 13.561 1.988 0.566 0.356 0.842 0.526 CB 1.387 33 residues pruned to eliminate duplicates Z: 16 5.445 1.509 0.357 0.375 1.000 0.400 CB 0.785 12 residues pruned to eliminate duplicates Z: 20 11.903 1.876 0.249 0.353 0.842 0.421 N 1.623 20 residues pruned to eliminate duplicates Z: 8 6.645 1.735 0.790 0.736 0.857 0.714 N 0.763 Z: 10 3.818 1.686 0.070 0.459 0.778 0.556 CB 0.946 10 residues pruned to eliminate duplicates Z: 10 5.110 1.667 0.414 0.219 0.778 0.333 CB 1.291 10 residues pruned to eliminate duplicates Z: 9 12.279 1.987 0.523 0.722 1.000 1.000 CA 1.174 9 residues pruned to eliminate duplicates Z: 6 4.751 1.483 0.285 0.626 1.000 0.800 CB 0.990 Z: 9 4.914 1.533 0.117 0.538 0.875 0.500 N 1.118 9 residues pruned to eliminate duplicates Z: 6 2.528 1.394 0.213 0.290 0.800 0.400 N 1.057 Z: 8 14.330 2.234 0.565 0.854 0.857 0.857 CB 1.335 8 residues pruned to eliminate duplicates Z: 6 4.141 1.087 0.772 0.832 1.000 0.800 N 0.722 Z: 7 3.188 1.415 0.305 0.466 0.667 0.500 CA 1.095 7 residues pruned to eliminate duplicates Z: 6 2.179 1.272 0.234 0.299 0.800 0.600 O 0.971 Z: 9 9.196 1.872 0.678 0.504 0.875 0.750 CB 1.178 Z: 12 10.590 1.755 0.652 0.515 0.909 0.545 CB 1.194 12 residues pruned to eliminate duplicates Z: 20 7.744 1.794 0.410 0.350 0.789 0.368 CB 1.047 19 residues pruned to eliminate duplicates Z: 10 10.447 2.084 0.141 0.891 1.000 0.889 CB 1.053 10 residues pruned to eliminate duplicates Z: 11 18.341 2.078 0.620 0.836 1.000 0.700 CB 1.290 11 residues pruned to eliminate duplicates Z: 6 2.947 1.626 0.515 0.349 0.600 0.400 N 1.051 6 residues pruned to eliminate duplicates Z: 15 10.965 1.866 0.549 0.433 0.857 0.714 CB 1.267 15 residues pruned to eliminate duplicates Z: 6 6.245 1.674 0.382 0.790 1.000 0.600 CB 0.935 6 residues pruned to eliminate duplicates Z: 21 19.714 2.094 0.569 0.647 0.950 0.600 CB 1.231 21 residues pruned to eliminate duplicates Z: 7 2.207 1.395 0.235 0.455 0.667 0.333 N 0.821 Z: 6 10.167 1.883 0.901 0.348 1.000 0.800 N 1.498 6 residues pruned to eliminate duplicates Z: 10 4.540 1.519 0.117 0.442 0.889 0.333 CB 1.065 Z: 6 3.631 1.308 0.305 0.568 1.000 0.400 N 0.891 Z: 23 11.738 1.869 0.342 0.423 0.727 0.364 CB 1.487 26 residues pruned to eliminate duplicates Z: 14 6.619 1.633 0.316 0.443 0.923 0.538 CB 0.981 13 residues pruned to eliminate duplicates Z: 9 6.974 1.556 0.981 0.413 0.750 0.500 CB 1.169 Z: 9 3.590 1.734 0.210 0.300 0.750 0.500 CB 1.008 18 residues pruned to eliminate duplicates Z: 9 6.043 1.493 0.510 0.554 0.875 0.500 CB 1.028 9 residues pruned to eliminate duplicates Z: 14 4.397 1.806 0.355 0.236 0.769 0.538 CB 0.880 Z: 20 21.113 2.136 0.537 0.625 0.895 0.632 CB 1.466 20 residues pruned to eliminate duplicates Z: 55 38.757 2.195 0.573 0.532 0.907 0.481 CA 1.632 56 residues pruned to eliminate duplicates Z: 21 18.330 1.917 0.506 0.906 0.900 0.700 CA 1.121 21 residues pruned to eliminate duplicates 6 0.924 1.104 0.267 0.374 0.600 0.600 CA 0.563 ? Z: 6 4.031 1.701 -0.025 0.665 1.000 0.800 CB 0.933 Z: 8 3.709 1.431 0.443 0.222 0.857 0.429 CB 1.097 Z: 9 10.287 1.889 0.247 0.517 1.000 0.750 CA 1.518 9 residues pruned to eliminate duplicates Z: 7 8.814 1.689 0.775 0.707 1.000 0.833 CB 0.995 14 residues pruned to eliminate duplicates Z: 20 14.495 1.830 0.541 0.399 0.895 0.474 CA 1.466 20 residues pruned to eliminate duplicates Z: 23 44.542 2.184 0.769 0.910 1.000 0.545 CA 1.744 23 residues pruned to eliminate duplicates Z: 6 3.856 1.627 0.404 0.431 0.800 0.600 CB 1.014 6 residues pruned to eliminate duplicates Z: 10 4.032 1.353 0.180 0.483 0.889 0.444 CB 0.963 Z: 8 2.903 1.710 0.393 0.211 0.714 0.429 CB 0.907 Z: 11 11.403 1.852 0.688 0.481 1.000 0.700 CB 1.175 11 residues pruned to eliminate duplicates Z: 16 9.633 1.925 0.191 0.355 0.933 0.400 CB 1.360 Z: 7 8.100 1.673 0.317 0.609 1.000 0.833 CA 1.353 7 residues pruned to eliminate duplicates Z: 43 30.704 2.129 0.527 0.570 0.905 0.714 CA 1.505 43 residues pruned to eliminate duplicates Z: 17 24.213 2.130 0.540 0.769 1.000 0.750 CB 1.453 17 residues pruned to eliminate duplicates Z: 9 3.601 1.447 0.373 0.287 0.750 0.500 N 1.086 Z: 13 9.255 1.802 0.272 0.522 0.917 0.500 CB 1.244 13 residues pruned to eliminate duplicates Z: 8 11.524 1.921 0.450 0.732 1.000 0.857 CA 1.270 Z: 7 3.644 1.588 0.214 0.394 0.833 0.500 CA 1.036 Z: 17 8.829 1.912 0.495 0.359 0.750 0.188 CB 1.197 9 residues pruned to eliminate duplicates Z: 7 4.110 1.737 0.120 0.389 0.833 0.500 CB 1.164 7 residues pruned to eliminate duplicates Z: 15 8.474 1.841 0.232 0.381 0.929 0.500 CB 1.220 15 residues pruned to eliminate duplicates Z: 11 9.998 1.966 0.299 0.526 0.900 0.700 CA 1.341 11 residues pruned to eliminate duplicates Z: 14 9.361 1.919 0.368 0.504 0.846 0.615 CB 1.165 9 residues pruned to eliminate duplicates Z: 37 41.322 2.255 0.650 0.747 0.972 0.750 CB 1.526 37 residues pruned to eliminate duplicates Z: 13 13.122 1.814 0.624 0.517 1.000 0.583 CA 1.264 13 residues pruned to eliminate duplicates Z: 7 3.801 1.171 0.341 0.749 1.000 0.667 O 0.791 Z: 9 4.028 1.436 0.075 0.450 0.875 0.625 C 1.110 9 residues pruned to eliminate duplicates Z: 7 10.127 1.864 0.767 0.753 1.000 0.833 CB 1.001 11 residues pruned to eliminate duplicates Z: 9 7.212 1.814 0.268 0.834 0.875 0.625 CB 0.950 9 residues pruned to eliminate duplicates Z: 28 18.925 1.930 0.696 0.435 0.815 0.481 CA 1.460 26 residues pruned to eliminate duplicates Z: 21 8.441 1.929 0.290 0.324 0.700 0.400 CB 1.314 21 residues pruned to eliminate duplicates Z: 17 14.866 2.003 0.469 0.510 0.938 0.688 CA 1.335 18 residues pruned to eliminate duplicates Z: 22 25.189 2.078 0.928 0.578 0.952 0.524 CA 1.336 22 residues pruned to eliminate duplicates Z: 7 5.399 2.128 -0.007 0.539 0.667 0.500 CB 1.506 7 residues pruned to eliminate duplicates Z: 10 4.626 1.478 0.373 0.690 0.889 0.444 CB 0.718 11 residues pruned to eliminate duplicates Z: 32 11.630 1.613 0.456 0.354 0.871 0.516 CA 1.196 19 residues pruned to eliminate duplicates Z: 7 3.683 1.640 0.721 0.407 0.833 0.500 CB 0.705 Z: 11 4.823 1.598 0.254 0.409 0.700 0.600 N 1.197 11 residues pruned to eliminate duplicates Z: 7 3.530 1.285 0.187 0.700 0.833 0.667 O 0.945 Z: 7 3.557 1.281 0.802 0.299 0.833 0.167 O 0.945 Z: 12 10.247 1.725 0.383 0.418 0.909 0.455 CB 1.551 13 residues pruned to eliminate duplicates Z: 7 4.979 1.606 -0.212 0.705 1.000 0.667 CB 1.332 Z: 18 8.609 1.624 0.523 0.364 0.824 0.529 CA 1.187 18 residues pruned to eliminate duplicates Z: 8 4.207 1.890 0.176 0.503 0.857 0.429 CB 0.832 Z: 15 5.961 1.500 0.473 0.299 0.857 0.357 CB 1.054 15 residues pruned to eliminate duplicates Z: 9 2.365 1.439 0.500 0.079 0.750 0.375 CB 0.893 Z: 16 7.216 1.630 0.419 0.372 0.800 0.467 CB 1.155 16 residues pruned to eliminate duplicates Z: 7 2.343 1.371 0.052 0.452 0.833 0.500 CA 0.836 Z: 23 19.993 2.062 0.724 0.449 0.864 0.636 CA 1.463 23 residues pruned to eliminate duplicates Z: 19 11.734 1.715 0.688 0.709 0.833 0.333 CA 0.948 19 residues pruned to eliminate duplicates Z: 23 29.110 2.184 0.758 0.585 0.909 0.636 CB 1.639 23 residues pruned to eliminate duplicates Z: 11 8.973 1.642 0.554 0.683 0.900 0.800 CA 1.044 11 residues pruned to eliminate duplicates Z: 16 7.867 1.729 0.243 0.295 0.867 0.533 CA 1.370 16 residues pruned to eliminate duplicates Z: 8 7.484 1.760 0.345 0.614 1.000 0.714 CA 1.072 8 residues pruned to eliminate duplicates Z: 23 15.782 1.965 0.389 0.471 0.818 0.591 N 1.551 23 residues pruned to eliminate duplicates Z: 6 3.511 1.440 0.621 0.488 0.600 0.600 CA 1.134 Z: 7 4.218 1.435 0.068 0.549 1.000 0.667 N 1.070 Z: 24 13.664 1.911 0.373 0.389 0.826 0.348 CA 1.478 24 residues pruned to eliminate duplicates Z: 9 4.870 1.587 0.280 0.427 1.000 0.625 CB 0.914 9 residues pruned to eliminate duplicates Z: 6 10.313 1.869 0.650 0.722 1.000 0.800 CA 1.224 6 residues pruned to eliminate duplicates Z: 6 3.150 1.607 0.195 0.383 0.800 0.400 CB 1.038 Z: 6 2.157 1.251 0.637 0.761 0.600 0.200 N 0.623 Z: 17 9.357 1.640 0.588 0.400 0.812 0.500 CB 1.228 Z: 18 5.913 1.719 0.296 0.262 0.706 0.353 CB 1.196 35 residues pruned to eliminate duplicates Z: 36 37.541 2.124 0.609 0.686 0.971 0.771 CA 1.612 36 residues pruned to eliminate duplicates Z: 6 2.907 1.533 0.222 0.295 0.800 0.400 CB 1.090 Z: 6 3.014 1.509 -0.106 0.474 1.000 0.800 O 1.025 6 residues pruned to eliminate duplicates Z: 16 9.346 1.884 0.060 0.445 0.867 0.667 CB 1.475 16 residues pruned to eliminate duplicates Z: 7 3.184 1.557 0.660 0.281 0.667 0.333 CB 0.966 Z: 22 28.336 2.111 0.592 0.850 0.952 0.714 CB 1.431 22 residues pruned to eliminate duplicates Z: 8 8.192 1.639 0.395 0.833 1.000 1.000 CB 1.016 9 residues pruned to eliminate duplicates Z: 16 14.703 1.891 0.532 0.915 0.933 0.733 CA 0.992 16 residues pruned to eliminate duplicates Z: 6 4.177 1.205 0.658 0.463 1.000 1.000 N 0.971 Z: 7 2.156 1.459 0.487 0.423 0.833 0.500 CB 0.527 Z: 6 6.622 1.705 0.627 0.614 0.800 0.600 CB 1.199 6 residues pruned to eliminate duplicates Z: 39 17.364 1.983 0.282 0.375 0.895 0.421 CB 1.414 36 residues pruned to eliminate duplicates Z: 7 4.152 1.521 0.603 0.377 1.000 0.667 CB 0.793 Z: 14 9.921 2.038 0.046 0.399 0.846 0.462 CB 1.698 14 residues pruned to eliminate duplicates Z: 25 14.518 1.902 0.400 0.497 0.833 0.583 CB 1.340 42 residues pruned to eliminate duplicates Z: 6 2.554 1.440 0.089 0.370 0.800 0.200 CB 1.047 6 residues pruned to eliminate duplicates Z: 6 3.611 1.593 0.562 0.579 0.800 0.800 CB 0.751 Z: 21 12.045 1.934 0.282 0.366 0.900 0.550 CB 1.394 21 residues pruned to eliminate duplicates Z: 7 8.761 1.832 0.416 0.560 1.000 0.667 CB 1.301 7 residues pruned to eliminate duplicates Z: 21 23.300 2.065 0.697 0.631 0.900 0.650 CB 1.462 23 residues pruned to eliminate duplicates Z: 10 5.045 1.488 0.346 0.346 0.778 0.333 N 1.277 10 residues pruned to eliminate duplicates Z: 16 9.301 1.904 0.274 0.350 0.867 0.333 CB 1.343 16 residues pruned to eliminate duplicates Z: 11 3.900 1.530 0.268 0.353 0.700 0.600 CA 1.065 11 residues pruned to eliminate duplicates Z: 6 10.724 1.963 0.857 0.758 1.000 0.600 CB 1.046 7 residues pruned to eliminate duplicates Z: 14 7.232 1.756 0.124 0.316 0.846 0.615 CB 1.471 14 residues pruned to eliminate duplicates Z: 11 8.115 1.723 0.587 0.490 0.800 0.800 N 1.185 10 residues pruned to eliminate duplicates Z: 7 4.481 1.642 0.318 0.465 0.833 0.500 CB 1.051 7 residues pruned to eliminate duplicates Z: 10 7.301 1.721 0.164 0.731 0.889 0.667 CA 1.110 10 residues pruned to eliminate duplicates Z: 9 10.876 1.977 0.563 0.542 0.875 0.500 CA 1.365 9 residues pruned to eliminate duplicates Z: 20 18.400 2.129 0.467 0.534 0.842 0.684 CA 1.553 20 residues pruned to eliminate duplicates Z: 23 28.025 2.087 0.567 0.673 0.955 0.773 CB 1.632 23 residues pruned to eliminate duplicates Z: 10 3.732 1.526 0.544 0.297 0.556 0.333 N 1.192 Z: 6 2.515 1.460 0.215 0.355 0.800 0.400 N 0.927 Z: 6 3.904 1.559 0.104 0.871 0.800 0.800 CA 0.925 6 residues pruned to eliminate duplicates Z: 32 18.886 2.036 0.458 0.403 0.806 0.548 CA 1.568 32 residues pruned to eliminate duplicates Z: 14 19.034 1.843 0.921 0.669 0.923 0.615 CB 1.382 14 residues pruned to eliminate duplicates Z: 6 4.329 1.651 0.573 0.482 0.800 0.600 CB 0.949 6 residues pruned to eliminate duplicates Z: 6 2.361 1.404 0.185 0.557 0.800 0.600 CA 0.751 Z: 8 2.834 1.305 0.607 0.304 0.714 0.429 CA 0.890 4 residues pruned to eliminate duplicates Z: 7 4.301 1.510 0.430 0.406 0.833 0.500 C 1.077 Z: 12 9.535 1.676 0.306 0.522 0.909 0.727 CA 1.413 12 residues pruned to eliminate duplicates Z: 6 2.199 1.362 0.292 0.448 0.800 0.400 CB 0.737 Z: 15 6.635 1.580 0.929 0.379 0.643 0.500 CB 1.029 15 residues pruned to eliminate duplicates Z: 15 8.571 1.870 0.218 0.401 0.929 0.357 CB 1.203 15 residues pruned to eliminate duplicates Z: 6 7.981 1.585 0.605 0.800 1.000 0.600 CB 1.079 Z: 34 23.149 2.080 0.457 0.434 0.939 0.515 CA 1.515 34 residues pruned to eliminate duplicates Z: 7 3.895 1.439 0.646 0.349 0.833 0.333 CB 0.948 7 residues pruned to eliminate duplicates Z: 11 5.119 1.591 0.659 0.339 0.700 0.500 CB 1.043 Z: 7 4.104 1.504 0.736 0.408 0.833 0.500 CA 0.848 Z: 44 37.484 2.125 0.698 0.645 0.953 0.558 CA 1.450 44 residues pruned to eliminate duplicates Z: 6 3.014 1.488 0.107 0.457 1.000 0.600 N 0.855 Z: 6 3.407 1.310 0.353 0.375 1.000 0.600 N 0.982 Z: 7 5.526 1.615 0.378 0.583 0.833 0.667 CB 1.123 7 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 30 16.930 2.010 0.281 0.466 0.897 0.621 CB 1.409 34 residues pruned to eliminate duplicates Z: 6 5.361 1.622 0.572 0.431 1.000 1.000 CA 1.010 6 residues pruned to eliminate duplicates 7 1.950 1.406 0.362 0.352 1.000 0.500 CB 0.488 ? Z: 6 3.376 1.376 0.485 0.283 1.000 0.600 CA 0.944 6 residues pruned to eliminate duplicates Z: 13 10.309 1.787 0.600 0.474 0.833 0.583 CB 1.282 13 residues pruned to eliminate duplicates Z: 22 11.969 1.895 0.663 0.379 0.810 0.524 CB 1.164 22 residues pruned to eliminate duplicates Z: 20 12.676 1.760 0.647 0.422 0.895 0.737 CB 1.215 21 residues pruned to eliminate duplicates Z: 6 2.306 1.402 0.223 0.278 0.800 0.800 CA 0.967 Z: 6 7.553 1.902 0.700 0.437 0.800 0.600 CB 1.394 6 residues pruned to eliminate duplicates Z: 10 5.003 1.974 0.048 0.321 0.889 0.556 CB 1.104 14 residues pruned to eliminate duplicates Z: 6 5.123 1.789 0.534 0.383 0.800 0.800 CA 1.182 6 residues pruned to eliminate duplicates Z: 6 8.196 2.051 0.575 0.391 1.000 0.800 CB 1.273 7 residues pruned to eliminate duplicates Z: 6 5.276 1.627 0.489 0.419 0.800 0.400 CA 1.324 7 residues pruned to eliminate duplicates Z: 6 6.707 1.708 0.495 0.373 1.000 0.400 CB 1.345 6 residues pruned to eliminate duplicates Z: 7 9.340 2.051 0.210 0.654 1.000 0.833 CB 1.331 7 residues pruned to eliminate duplicates Z: 9 9.381 1.992 0.549 0.517 0.875 0.625 CB 1.208 9 residues pruned to eliminate duplicates Z: 11 7.231 1.937 0.164 0.447 0.900 0.700 CB 1.190 11 residues pruned to eliminate duplicates Z: 8 6.304 2.016 0.002 0.426 1.000 0.429 CB 1.275 8 residues pruned to eliminate duplicates Z: 10 5.425 1.812 0.095 0.469 0.889 0.444 CB 1.059 10 residues pruned to eliminate duplicates Z: 15 4.909 1.754 0.089 0.345 0.786 0.500 CB 1.035 15 residues pruned to eliminate duplicates Z: 9 9.141 1.989 0.100 0.609 1.000 0.625 CA 1.333 9 residues pruned to eliminate duplicates Z: 8 7.885 1.550 0.693 0.629 0.857 0.429 CB 1.174 5 residues pruned to eliminate duplicates Z: 7 9.328 1.577 0.753 0.577 1.000 0.333 O 1.280 7 residues pruned to eliminate duplicates Z: 8 9.669 1.750 0.520 0.478 1.000 0.286 CA 1.405 8 residues pruned to eliminate duplicates Z: 8 11.398 1.851 0.575 0.706 1.000 0.714 CB 1.226 6 residues pruned to eliminate duplicates Z: 6 5.797 1.906 0.812 0.533 1.000 0.400 CB 0.727 6 residues pruned to eliminate duplicates Z: 18 13.367 2.115 0.602 0.427 0.882 0.529 CB 1.171 18 residues pruned to eliminate duplicates Z: 10 5.969 1.693 0.403 0.449 0.889 0.333 CB 0.993 10 residues pruned to eliminate duplicates Z: 36 15.726 2.028 0.435 0.409 0.800 0.457 CB 1.255 33 residues pruned to eliminate duplicates Z: 6 3.990 1.597 0.705 0.434 1.000 1.000 CA 0.702 6 residues pruned to eliminate duplicates Z: 18 11.367 2.116 0.412 0.403 0.882 0.471 CB 1.158 18 residues pruned to eliminate duplicates Z: 6 3.387 1.826 0.132 0.289 0.800 0.200 CB 1.161 6 residues pruned to eliminate duplicates Z: 11 12.391 1.996 0.712 0.569 0.800 0.500 CA 1.341 11 residues pruned to eliminate duplicates Z: 17 13.664 2.110 0.583 0.431 0.938 0.562 CB 1.171 17 residues pruned to eliminate duplicates Z: 18 11.877 2.142 0.227 0.360 0.824 0.412 CB 1.547 18 residues pruned to eliminate duplicates Z: 6 6.985 2.202 0.265 0.588 0.800 0.600 CB 1.289 6 residues pruned to eliminate duplicates Z: 18 11.859 2.065 0.289 0.359 0.824 0.353 CB 1.528 18 residues pruned to eliminate duplicates Z: 15 13.192 2.046 0.371 0.400 0.929 0.429 CB 1.504 15 residues pruned to eliminate duplicates Z: 17 11.673 2.130 0.261 0.390 0.812 0.375 CB 1.503 17 residues pruned to eliminate duplicates Z: 15 9.665 2.112 0.310 0.381 0.714 0.429 CB 1.483 15 residues pruned to eliminate duplicates Z: 13 10.458 1.981 0.437 0.377 0.833 0.333 CA 1.451 17 residues pruned to eliminate duplicates Z: 6 3.059 1.729 0.288 0.355 1.000 0.200 CA 0.719 6 residues pruned to eliminate duplicates Z: 16 12.233 1.990 0.480 0.359 0.800 0.400 CB 1.561 16 residues pruned to eliminate duplicates Z: 18 12.104 2.120 0.437 0.311 0.824 0.471 CB 1.443 18 residues pruned to eliminate duplicates Z: 20 12.245 2.012 0.305 0.384 0.789 0.368 CB 1.533 18 residues pruned to eliminate duplicates Z: 11 6.260 1.764 0.330 0.617 0.800 0.600 CB 0.944 11 residues pruned to eliminate duplicates Z: 18 7.123 1.748 0.334 0.421 0.706 0.412 CB 1.139 20 residues pruned to eliminate duplicates Z: 9 11.047 1.944 0.354 0.784 1.000 0.250 CB 1.155 9 residues pruned to eliminate duplicates Z: 14 10.934 1.877 0.270 0.565 1.000 0.538 CA 1.195 17 residues pruned to eliminate duplicates Z: 9 9.171 1.797 0.352 0.767 1.000 0.875 CB 1.053 9 residues pruned to eliminate duplicates Z: 15 8.969 1.802 0.272 0.554 0.929 0.571 CB 1.069 15 residues pruned to eliminate duplicates Z: 16 10.406 1.814 0.331 0.483 1.000 0.467 CB 1.132 15 residues pruned to eliminate duplicates Z: 7 10.489 1.947 0.476 0.762 1.000 0.667 CB 1.180 7 residues pruned to eliminate duplicates Z: 15 10.198 1.785 0.172 0.551 1.000 0.500 CA 1.239 15 residues pruned to eliminate duplicates Z: 15 6.933 1.782 0.391 0.479 0.786 0.500 CA 0.972 15 residues pruned to eliminate duplicates Z: 16 10.525 1.762 0.411 0.466 1.000 0.467 CB 1.131 16 residues pruned to eliminate duplicates Z: 9 7.150 1.805 0.248 0.441 0.750 0.500 O 1.590 8 residues pruned to eliminate duplicates Z: 6 3.510 1.456 0.299 0.416 0.800 0.200 N 1.133 6 residues pruned to eliminate duplicates Z: 12 7.460 1.734 0.180 0.400 0.909 0.455 CA 1.344 12 residues pruned to eliminate duplicates Z: 7 4.665 1.709 0.321 0.351 0.667 0.667 CB 1.487 7 residues pruned to eliminate duplicates Z: 13 11.182 1.713 0.541 0.454 0.917 0.667 CA 1.398 13 residues pruned to eliminate duplicates Z: 17 12.269 1.966 0.259 0.578 0.812 0.688 CA 1.414 Z: 18 12.728 1.997 0.232 0.565 0.882 0.647 CA 1.335 24 residues pruned to eliminate duplicates Z: 7 5.511 1.485 0.554 0.381 1.000 0.667 CB 1.106 7 residues pruned to eliminate duplicates Z: 20 11.952 1.924 0.259 0.517 0.789 0.579 CA 1.410 20 residues pruned to eliminate duplicates Z: 11 11.859 2.119 0.426 0.590 0.800 0.800 CB 1.423 12 residues pruned to eliminate duplicates Z: 6 5.427 1.566 0.836 0.297 1.000 0.600 CA 1.059 6 residues pruned to eliminate duplicates Z: 20 12.834 1.872 0.458 0.479 0.842 0.632 CA 1.309 19 residues pruned to eliminate duplicates Z: 6 3.898 1.661 0.767 0.304 0.600 0.200 CA 1.230 6 residues pruned to eliminate duplicates Z: 23 14.513 1.996 0.345 0.475 0.773 0.545 CB 1.530 41 residues pruned to eliminate duplicates Z: 18 14.988 2.027 0.402 0.551 0.824 0.529 CA 1.477 Z: 7 7.485 1.893 0.623 0.396 1.000 0.667 CA 1.110 7 residues pruned to eliminate duplicates Z: 13 6.741 1.986 0.533 0.160 0.833 0.417 CA 1.162 13 residues pruned to eliminate duplicates Z: 20 9.218 2.049 0.481 0.243 0.737 0.474 CA 1.274 20 residues pruned to eliminate duplicates Z: 9 8.533 2.152 0.478 0.192 1.000 0.500 CA 1.370 9 residues pruned to eliminate duplicates Z: 13 7.468 1.914 0.540 0.215 0.833 0.500 CA 1.227 13 residues pruned to eliminate duplicates Z: 19 11.107 2.066 0.562 0.255 0.833 0.500 CA 1.290 30 residues pruned to eliminate duplicates Z: 19 11.841 2.078 0.519 0.275 0.833 0.500 CA 1.369 19 residues pruned to eliminate duplicates Z: 18 13.250 2.128 0.527 0.333 0.882 0.471 CA 1.346 18 residues pruned to eliminate duplicates Z: 9 7.641 1.862 0.266 0.580 0.875 0.625 CA 1.213 9 residues pruned to eliminate duplicates Z: 12 9.398 1.896 0.728 0.473 0.727 0.545 CA 1.222 12 residues pruned to eliminate duplicates Z: 10 7.346 1.994 0.505 0.479 0.889 0.556 CA 0.938 10 residues pruned to eliminate duplicates Z: 12 8.906 1.958 0.472 0.375 0.818 0.636 CA 1.302 12 residues pruned to eliminate duplicates Z: 12 8.222 1.936 0.568 0.354 0.818 0.455 CA 1.168 12 residues pruned to eliminate duplicates Z: 21 11.442 2.098 0.541 0.253 0.800 0.450 CA 1.313 21 residues pruned to eliminate duplicates Z: 23 11.342 2.054 0.528 0.239 0.773 0.318 CA 1.350 23 residues pruned to eliminate duplicates Z: 17 8.649 1.913 0.614 0.222 0.688 0.250 CA 1.412 17 residues pruned to eliminate duplicates Z: 22 15.643 1.950 0.517 0.358 0.857 0.429 CA 1.569 22 residues pruned to eliminate duplicates Z: 15 5.856 1.737 0.477 0.260 0.643 0.143 CA 1.249 15 residues pruned to eliminate duplicates Z: 20 16.803 1.980 0.586 0.416 0.947 0.632 CA 1.414 20 residues pruned to eliminate duplicates Z: 18 17.933 1.991 0.697 0.470 0.882 0.529 CA 1.504 19 residues pruned to eliminate duplicates Z: 19 14.490 1.973 0.596 0.427 0.889 0.611 CA 1.315 19 residues pruned to eliminate duplicates Z: 22 18.310 2.020 0.540 0.449 0.952 0.476 CA 1.421 22 residues pruned to eliminate duplicates Z: 19 17.674 1.948 0.558 0.445 1.000 0.556 CA 1.453 19 residues pruned to eliminate duplicates Z: 20 14.150 1.931 0.420 0.405 0.947 0.526 CA 1.381 20 residues pruned to eliminate duplicates Z: 10 14.565 2.015 0.472 0.553 1.000 0.556 N 1.554 10 residues pruned to eliminate duplicates Z: 17 15.458 1.972 0.594 0.372 0.938 0.500 CA 1.502 16 residues pruned to eliminate duplicates Z: 19 17.750 1.986 0.667 0.447 0.944 0.444 CA 1.413 19 residues pruned to eliminate duplicates Z: 23 17.986 2.064 0.572 0.440 0.864 0.591 CA 1.455 23 residues pruned to eliminate duplicates Z: 9 3.417 1.586 0.360 0.293 0.625 0.125 CB 1.131 Z: 6 9.804 2.014 0.317 0.462 1.000 1.000 CB 1.718 8 residues pruned to eliminate duplicates Z: 6 4.187 1.771 0.067 0.590 0.800 0.400 CA 1.136 Z: 8 6.597 1.934 0.290 0.518 0.714 0.429 CA 1.375 8 residues pruned to eliminate duplicates Z: 26 15.481 1.968 0.365 0.391 0.800 0.360 CA 1.616 27 residues pruned to eliminate duplicates Z: 16 16.860 2.062 0.330 0.461 1.000 0.333 CA 1.651 15 residues pruned to eliminate duplicates Z: 26 17.143 1.967 0.300 0.410 0.920 0.240 N 1.601 26 residues pruned to eliminate duplicates Z: 24 17.704 2.015 0.297 0.458 0.913 0.348 CB 1.615 24 residues pruned to eliminate duplicates Z: 22 17.875 2.050 0.440 0.475 0.810 0.476 N 1.675 22 residues pruned to eliminate duplicates Z: 19 18.935 2.081 0.478 0.461 0.889 0.500 N 1.697 19 residues pruned to eliminate duplicates Z: 24 15.128 1.959 0.418 0.453 0.826 0.435 CB 1.441 24 residues pruned to eliminate duplicates Z: 23 18.033 2.048 0.355 0.470 0.864 0.455 CA 1.654 23 residues pruned to eliminate duplicates Z: 24 17.013 2.020 0.310 0.439 0.870 0.478 CB 1.642 24 residues pruned to eliminate duplicates Z: 24 17.203 2.026 0.284 0.431 0.913 0.348 CA 1.623 24 residues pruned to eliminate duplicates Z: 24 19.803 2.042 0.367 0.470 0.913 0.435 CA 1.670 24 residues pruned to eliminate duplicates Z: 6 5.853 1.615 0.627 0.467 1.000 0.600 CA 1.030 6 residues pruned to eliminate duplicates Z: 24 18.304 2.042 0.430 0.435 0.826 0.435 N 1.692 24 residues pruned to eliminate duplicates Z: 22 17.309 2.035 0.340 0.471 0.857 0.333 N 1.664 22 residues pruned to eliminate duplicates Z: 24 16.795 2.007 0.263 0.470 0.870 0.435 CA 1.638 24 residues pruned to eliminate duplicates Z: 26 16.936 1.965 0.341 0.398 0.960 0.400 CB 1.490 26 residues pruned to eliminate duplicates Z: 24 17.676 2.042 0.374 0.431 0.870 0.478 CA 1.622 24 residues pruned to eliminate duplicates Z: 6 6.096 1.772 0.972 0.297 0.800 0.600 CA 1.224 6 residues pruned to eliminate duplicates Z: 32 21.646 2.087 0.523 0.569 0.903 0.548 CA 1.268 32 residues pruned to eliminate duplicates Z: 81 43.631 2.102 0.541 0.572 0.950 0.650 CA 1.479 81 residues pruned to eliminate duplicates Z: 27 18.890 2.023 0.591 0.436 0.923 0.500 CA 1.332 27 residues pruned to eliminate duplicates Z: 26 18.434 2.112 0.515 0.402 0.880 0.480 CA 1.450 26 residues pruned to eliminate duplicates Z: 27 25.011 2.100 0.627 0.528 0.923 0.615 CA 1.513 27 residues pruned to eliminate duplicates Z: 25 19.911 2.121 0.599 0.392 0.917 0.583 CA 1.465 25 residues pruned to eliminate duplicates Z: 39 28.495 2.061 0.540 0.659 0.974 0.737 CA 1.291 43 residues pruned to eliminate duplicates 6 1.827 1.322 -0.034 0.415 1.000 0.600 CA 0.699 ? Z: 6 3.050 1.650 0.906 0.330 0.800 0.800 CA 0.653 6 residues pruned to eliminate duplicates Z: 15 9.581 2.017 0.414 0.382 0.857 0.643 CA 1.187 15 residues pruned to eliminate duplicates Z: 26 23.414 2.110 0.527 0.482 1.000 0.520 CB 1.480 26 residues pruned to eliminate duplicates Z: 24 19.929 2.128 0.648 0.422 0.913 0.565 CB 1.407 24 residues pruned to eliminate duplicates Z: 18 16.504 1.954 0.744 0.419 0.824 0.529 C 1.553 18 residues pruned to eliminate duplicates Z: 28 13.222 1.986 0.422 0.339 0.852 0.519 CB 1.261 28 residues pruned to eliminate duplicates Z: 35 26.659 2.069 0.513 0.642 0.971 0.882 CA 1.318 35 residues pruned to eliminate duplicates Z: 27 17.614 1.986 0.575 0.648 0.846 0.654 CA 1.138 27 residues pruned to eliminate duplicates Z: 17 12.414 1.950 0.187 0.762 0.938 0.625 CA 1.133 17 residues pruned to eliminate duplicates Z: 30 23.904 2.131 0.426 0.616 0.966 0.690 CA 1.356 30 residues pruned to eliminate duplicates Z: 37 24.295 2.036 0.553 0.564 0.917 0.556 CA 1.312 37 residues pruned to eliminate duplicates Z: 33 25.104 2.089 0.586 0.635 0.938 0.562 CA 1.259 33 residues pruned to eliminate duplicates Z: 12 9.792 1.880 0.859 0.662 0.909 0.545 CA 0.800 12 residues pruned to eliminate duplicates Z: 33 25.582 2.072 0.596 0.621 0.875 0.531 CB 1.393 33 residues pruned to eliminate duplicates Z: 15 15.453 2.098 0.430 0.784 0.786 0.429 CA 1.364 15 residues pruned to eliminate duplicates Z: 13 16.390 1.986 0.812 0.759 0.833 0.333 CA 1.253 13 residues pruned to eliminate duplicates Z: 8 9.941 1.914 0.864 0.766 0.571 0.143 CA 1.456 8 residues pruned to eliminate duplicates Z: 27 18.232 2.009 0.507 0.553 0.769 0.654 CA 1.458 27 residues pruned to eliminate duplicates Z: 10 3.003 1.882 -0.025 0.153 0.667 0.333 CA 1.253 10 residues pruned to eliminate duplicates Z: 28 16.194 1.973 0.485 0.553 0.815 0.333 CB 1.240 28 residues pruned to eliminate duplicates Z: 46 23.830 1.957 0.493 0.522 0.911 0.422 CB 1.306 46 residues pruned to eliminate duplicates Z: 14 4.943 1.741 0.222 0.263 0.846 0.385 CB 0.998 14 residues pruned to eliminate duplicates Z: 55 33.638 2.045 0.664 0.581 0.926 0.500 CB 1.343 55 residues pruned to eliminate duplicates Z: 23 15.688 1.886 0.564 0.493 0.864 0.636 CA 1.322 23 residues pruned to eliminate duplicates Z: 18 14.489 2.036 0.353 0.529 0.941 0.529 CB 1.317 18 residues pruned to eliminate duplicates Z: 29 18.332 1.957 0.506 0.585 0.893 0.536 CB 1.213 29 residues pruned to eliminate duplicates Z: 17 17.429 2.084 0.561 0.603 0.875 0.750 CB 1.387 17 residues pruned to eliminate duplicates Z: 16 17.004 2.131 0.433 0.665 0.933 0.667 CB 1.323 16 residues pruned to eliminate duplicates Z: 62 24.697 1.931 0.548 0.449 0.836 0.475 CB 1.333 62 residues pruned to eliminate duplicates Z: 40 27.856 2.109 0.573 0.481 0.846 0.487 CB 1.620 40 residues pruned to eliminate duplicates Z: 13 20.951 2.168 0.656 0.795 0.917 0.667 CB 1.420 13 residues pruned to eliminate duplicates Z: 37 28.283 2.124 0.549 0.500 0.889 0.583 CB 1.613 37 residues pruned to eliminate duplicates Z: 20 14.893 1.969 0.425 0.540 0.895 0.632 CB 1.309 20 residues pruned to eliminate duplicates Z: 28 21.140 1.968 0.452 0.558 0.963 0.444 CB 1.397 28 residues pruned to eliminate duplicates Z: 38 33.292 2.109 0.637 0.521 0.973 0.595 CB 1.596 38 residues pruned to eliminate duplicates Z: 48 32.075 2.107 0.521 0.494 0.936 0.553 CA 1.570 48 residues pruned to eliminate duplicates Z: 48 31.443 2.117 0.485 0.486 0.936 0.511 CB 1.582 48 residues pruned to eliminate duplicates Z: 26 21.698 2.085 0.480 0.418 0.920 0.600 CA 1.664 26 residues pruned to eliminate duplicates Z: 42 28.851 2.112 0.424 0.473 0.951 0.537 CA 1.618 42 residues pruned to eliminate duplicates Z: 25 24.340 2.112 0.559 0.434 0.958 0.667 CA 1.686 25 residues pruned to eliminate duplicates Z: 26 18.801 2.003 0.548 0.533 0.880 0.520 CB 1.333 26 residues pruned to eliminate duplicates Z: 31 26.058 2.135 0.547 0.453 0.933 0.567 CA 1.620 31 residues pruned to eliminate duplicates Z: 29 25.357 2.147 0.597 0.466 0.929 0.607 CA 1.558 29 residues pruned to eliminate duplicates Z: 27 22.754 2.111 0.618 0.365 0.923 0.538 CA 1.637 27 residues pruned to eliminate duplicates Z: 32 24.527 2.132 0.498 0.440 0.903 0.548 CA 1.625 32 residues pruned to eliminate duplicates Z: 19 18.283 2.127 0.609 0.375 0.889 0.556 CA 1.619 19 residues pruned to eliminate duplicates Z: 54 26.687 2.013 0.479 0.464 0.868 0.491 CA 1.472 54 residues pruned to eliminate duplicates Z: 27 19.620 2.091 0.501 0.362 0.923 0.538 CA 1.541 27 residues pruned to eliminate duplicates Z: 46 33.924 2.117 0.590 0.502 0.933 0.511 CA 1.606 46 residues pruned to eliminate duplicates Z: 30 26.741 2.132 0.634 0.451 0.931 0.586 CA 1.610 30 residues pruned to eliminate duplicates Z: 22 20.247 2.134 0.504 0.496 0.857 0.571 CA 1.611 22 residues pruned to eliminate duplicates Z: 19 18.415 2.093 0.605 0.406 0.833 0.611 CA 1.711 19 residues pruned to eliminate duplicates Z: 23 21.315 2.071 0.702 0.371 0.909 0.636 CA 1.629 23 residues pruned to eliminate duplicates Z: 42 31.352 2.107 0.573 0.496 0.927 0.610 CB 1.600 42 residues pruned to eliminate duplicates Z: 51 31.757 2.020 0.661 0.537 0.880 0.560 CA 1.467 51 residues pruned to eliminate duplicates Z: 43 27.143 2.070 0.672 0.459 0.857 0.500 CA 1.472 43 residues pruned to eliminate duplicates Z: 50 31.642 2.038 0.623 0.486 0.918 0.673 CB 1.509 50 residues pruned to eliminate duplicates Z: 51 30.961 2.087 0.578 0.506 0.840 0.560 CA 1.574 51 residues pruned to eliminate duplicates Z: 9 15.276 1.864 0.771 0.879 1.000 0.875 CA 1.186 12 residues pruned to eliminate duplicates Z: 10 12.393 1.811 0.781 0.784 0.889 0.444 CA 1.122 10 residues pruned to eliminate duplicates Z: 23 18.811 2.056 0.511 0.473 0.818 0.500 CA 1.622 23 residues pruned to eliminate duplicates Z: 30 16.013 1.951 0.539 0.385 0.793 0.483 CA 1.410 30 residues pruned to eliminate duplicates Z: 25 22.014 2.086 0.801 0.429 0.833 0.417 CA 1.545 25 residues pruned to eliminate duplicates Z: 48 32.834 2.116 0.551 0.497 0.915 0.511 CA 1.601 48 residues pruned to eliminate duplicates Z: 35 22.489 2.060 0.518 0.428 0.853 0.559 CA 1.559 35 residues pruned to eliminate duplicates Z: 34 22.100 2.024 0.643 0.407 0.879 0.394 CA 1.451 34 residues pruned to eliminate duplicates Z: 12 17.425 2.017 0.745 0.637 0.909 0.545 CB 1.444 12 residues pruned to eliminate duplicates Z: 29 25.705 2.199 0.585 0.469 0.893 0.429 CA 1.611 29 residues pruned to eliminate duplicates Z: 16 15.158 2.018 0.547 0.616 0.800 0.600 CA 1.404 16 residues pruned to eliminate duplicates Z: 15 24.032 2.157 0.724 0.684 0.929 0.429 CB 1.570 15 residues pruned to eliminate duplicates Z: 16 23.785 2.107 0.993 0.547 0.933 0.467 CA 1.496 16 residues pruned to eliminate duplicates Z: 39 30.793 2.164 0.721 0.470 0.895 0.553 CA 1.546 39 residues pruned to eliminate duplicates Z: 14 20.536 2.055 1.077 0.552 0.846 0.462 CA 1.499 14 residues pruned to eliminate duplicates Z: 62 41.280 2.149 0.582 0.570 0.934 0.607 CA 1.555 62 residues pruned to eliminate duplicates Z: 61 45.961 2.177 0.631 0.616 0.933 0.650 CA 1.606 61 residues pruned to eliminate duplicates Z: 43 25.056 2.081 0.673 0.432 0.833 0.524 CA 1.430 43 residues pruned to eliminate duplicates Z: 28 26.142 2.175 0.625 0.502 0.963 0.519 CA 1.475 28 residues pruned to eliminate duplicates Z: 33 21.936 2.054 0.660 0.424 0.844 0.438 CA 1.459 33 residues pruned to eliminate duplicates Z: 33 23.287 2.078 0.582 0.430 0.938 0.469 CA 1.437 33 residues pruned to eliminate duplicates Z: 55 42.184 2.199 0.653 0.591 0.907 0.611 CA 1.596 55 residues pruned to eliminate duplicates Z: 30 22.515 2.088 0.598 0.448 0.897 0.517 CA 1.474 30 residues pruned to eliminate duplicates Z: 39 24.896 2.112 0.708 0.459 0.868 0.579 CA 1.345 39 residues pruned to eliminate duplicates Z: 29 20.715 2.074 0.666 0.453 0.929 0.571 CA 1.281 29 residues pruned to eliminate duplicates Z: 61 44.341 2.209 0.613 0.582 0.950 0.700 CA 1.563 61 residues pruned to eliminate duplicates Z: 31 20.631 2.096 0.754 0.393 0.867 0.500 CA 1.323 31 residues pruned to eliminate duplicates Z: 34 17.509 2.034 0.541 0.363 0.788 0.515 CA 1.430 34 residues pruned to eliminate duplicates Z: 31 19.714 2.112 0.539 0.383 0.867 0.467 CA 1.447 31 residues pruned to eliminate duplicates Z: 59 48.659 2.202 0.741 0.606 0.931 0.672 CA 1.619 60 residues pruned to eliminate duplicates Z: 7 6.140 1.584 0.801 0.540 1.000 0.833 CA 0.845 7 residues pruned to eliminate duplicates Z: 46 38.798 2.197 0.563 0.634 0.933 0.733 CA 1.592 46 residues pruned to eliminate duplicates Z: 61 46.948 2.185 0.627 0.599 0.967 0.700 CA 1.604 61 residues pruned to eliminate duplicates Z: 7 6.682 1.532 0.368 0.645 1.000 0.500 CB 1.137 7 residues pruned to eliminate duplicates Z: 29 22.637 2.148 0.625 0.438 0.893 0.571 CA 1.464 29 residues pruned to eliminate duplicates Z: 37 38.253 2.059 0.599 0.729 0.972 0.806 CA 1.621 37 residues pruned to eliminate duplicates Z: 35 39.247 2.171 0.650 0.696 0.971 0.794 CA 1.618 35 residues pruned to eliminate duplicates Z: 61 48.608 2.180 0.744 0.609 0.917 0.633 CA 1.623 61 residues pruned to eliminate duplicates Z: 37 40.008 2.206 0.542 0.683 0.972 0.694 CA 1.705 37 residues pruned to eliminate duplicates Z: 44 34.861 2.187 0.499 0.590 0.930 0.628 CA 1.599 44 residues pruned to eliminate duplicates Z: 61 39.357 2.130 0.669 0.545 0.883 0.583 CA 1.547 61 residues pruned to eliminate duplicates Z: 36 40.810 2.195 0.690 0.669 0.943 0.657 CA 1.686 36 residues pruned to eliminate duplicates Z: 37 41.084 2.164 0.725 0.666 0.944 0.778 CA 1.666 37 residues pruned to eliminate duplicates Z: 32 43.847 2.239 0.669 0.742 1.000 0.742 CA 1.697 32 residues pruned to eliminate duplicates Z: 32 45.004 2.208 0.728 0.722 0.968 0.839 CA 1.791 32 residues pruned to eliminate duplicates Z: 35 37.831 2.146 0.658 0.652 0.941 0.676 CA 1.681 35 residues pruned to eliminate duplicates Z: 28 42.038 2.200 0.677 0.771 0.963 0.741 CB 1.791 28 residues pruned to eliminate duplicates Z: 37 40.110 2.188 0.721 0.652 0.917 0.722 CA 1.682 37 residues pruned to eliminate duplicates Z: 56 34.993 2.037 0.632 0.519 0.873 0.509 CA 1.596 56 residues pruned to eliminate duplicates Z: 34 40.068 2.141 0.671 0.721 0.970 0.727 CA 1.646 34 residues pruned to eliminate duplicates Z: 32 45.542 2.170 0.950 0.744 0.935 0.710 CB 1.660 32 residues pruned to eliminate duplicates Z: 22 39.187 2.188 0.759 0.893 0.905 0.524 CB 1.763 22 residues pruned to eliminate duplicates Z: 60 43.251 2.186 0.621 0.588 0.898 0.627 CA 1.626 60 residues pruned to eliminate duplicates Z: 44 39.886 2.201 0.696 0.634 0.860 0.488 CA 1.670 44 residues pruned to eliminate duplicates Z: 33 42.219 2.191 0.726 0.738 0.906 0.688 CA 1.759 33 residues pruned to eliminate duplicates Z: 36 34.516 2.148 0.597 0.629 0.886 0.514 CB 1.700 36 residues pruned to eliminate duplicates Z: 34 48.541 2.210 0.873 0.745 0.970 0.636 CA 1.691 34 residues pruned to eliminate duplicates Z: 23 42.305 2.211 0.647 0.904 1.000 0.591 CB 1.764 23 residues pruned to eliminate duplicates Z: 33 48.890 2.174 1.016 0.753 0.906 0.594 CA 1.735 33 residues pruned to eliminate duplicates Z: 36 38.421 2.081 0.839 0.709 0.886 0.514 CA 1.584 36 residues pruned to eliminate duplicates Z: 17 14.304 2.095 0.541 0.406 0.875 0.562 CB 1.397 17 residues pruned to eliminate duplicates Z: 13 8.773 2.048 0.415 0.339 0.750 0.417 CA 1.388 13 residues pruned to eliminate duplicates Z: 19 7.893 2.028 0.305 0.321 0.667 0.444 CB 1.284 19 residues pruned to eliminate duplicates Z: 16 11.026 2.115 0.234 0.468 0.800 0.400 CA 1.408 16 residues pruned to eliminate duplicates Z: 10 6.784 2.047 0.298 0.311 0.778 0.444 CB 1.350 10 residues pruned to eliminate duplicates Z: 16 14.387 2.128 0.379 0.451 0.933 0.533 CA 1.426 16 residues pruned to eliminate duplicates Z: 16 8.680 2.071 0.479 0.315 0.667 0.333 CB 1.347 16 residues pruned to eliminate duplicates Z: 18 8.463 1.974 0.247 0.370 0.647 0.412 CA 1.482 18 residues pruned to eliminate duplicates Z: 11 13.247 2.069 0.318 0.535 0.900 0.400 CA 1.650 11 residues pruned to eliminate duplicates Z: 18 9.421 2.078 0.244 0.386 0.824 0.529 CB 1.212 18 residues pruned to eliminate duplicates Z: 17 10.606 2.068 0.464 0.372 0.812 0.438 CB 1.237 17 residues pruned to eliminate duplicates Z: 17 13.153 1.997 0.566 0.418 0.938 0.438 CA 1.222 17 residues pruned to eliminate duplicates Z: 15 13.794 2.165 0.406 0.405 0.857 0.571 CB 1.561 15 residues pruned to eliminate duplicates Z: 10 11.569 2.211 0.456 0.438 0.778 0.556 CB 1.641 10 residues pruned to eliminate duplicates Z: 19 10.601 2.078 0.370 0.334 0.778 0.444 CB 1.353 19 residues pruned to eliminate duplicates Z: 25 11.020 1.941 0.456 0.292 0.792 0.417 CB 1.271 25 residues pruned to eliminate duplicates Z: 24 13.700 1.971 0.552 0.345 0.870 0.478 CB 1.272 24 residues pruned to eliminate duplicates Z: 16 11.049 1.863 0.644 0.474 0.800 0.667 CB 1.196 Z: 6 4.932 1.434 0.685 0.360 1.000 0.800 CA 1.061 6 residues pruned to eliminate duplicates Z: 13 11.142 1.988 0.536 0.433 0.833 0.417 CB 1.354 13 residues pruned to eliminate duplicates Z: 29 20.083 2.108 0.692 0.474 0.893 0.464 CB 1.223 45 residues pruned to eliminate duplicates Z: 64 42.591 2.130 0.666 0.584 0.937 0.476 CB 1.490 64 residues pruned to eliminate duplicates Z: 12 9.224 2.054 0.505 0.363 0.727 0.273 CA 1.433 4 residues pruned to eliminate duplicates Z: 7 5.249 1.554 0.968 0.438 0.833 0.667 CA 0.896 7 residues pruned to eliminate duplicates Z: 44 35.880 2.137 0.619 0.601 0.977 0.698 CB 1.470 44 residues pruned to eliminate duplicates Z: 44 41.659 2.221 0.646 0.692 0.977 0.837 CA 1.493 44 residues pruned to eliminate duplicates Z: 51 45.162 2.222 0.624 0.666 0.960 0.680 CB 1.582 51 residues pruned to eliminate duplicates Z: 23 37.545 2.303 0.529 0.845 1.000 0.773 CB 1.690 23 residues pruned to eliminate duplicates Z: 53 43.254 2.206 0.585 0.631 0.962 0.692 CB 1.577 54 residues pruned to eliminate duplicates Z: 22 46.438 2.269 0.939 0.916 1.000 0.714 CA 1.627 22 residues pruned to eliminate duplicates Z: 23 37.262 2.145 1.026 0.658 0.955 0.636 CA 1.653 23 residues pruned to eliminate duplicates Z: 66 41.722 2.151 0.609 0.575 0.938 0.523 CB 1.482 66 residues pruned to eliminate duplicates Z: 75 47.170 2.200 0.695 0.541 0.932 0.595 CB 1.514 75 residues pruned to eliminate duplicates Z: 51 42.655 2.216 0.704 0.641 0.940 0.600 CB 1.489 51 residues pruned to eliminate duplicates Z: 44 48.043 2.225 0.748 0.708 1.000 0.651 CA 1.559 44 residues pruned to eliminate duplicates Z: 22 29.669 2.207 0.743 0.626 1.000 0.476 CA 1.496 22 residues pruned to eliminate duplicates Z: 23 30.351 2.180 0.842 0.596 0.955 0.409 CA 1.541 23 residues pruned to eliminate duplicates Z: 75 41.588 2.204 0.643 0.531 0.851 0.527 CB 1.520 75 residues pruned to eliminate duplicates Z: 44 44.170 2.220 0.725 0.704 0.953 0.581 CB 1.532 44 residues pruned to eliminate duplicates Z: 48 37.708 2.152 0.752 0.584 0.915 0.511 CB 1.470 47 residues pruned to eliminate duplicates Z: 21 49.368 2.332 1.051 0.939 0.950 0.500 CB 1.688 21 residues pruned to eliminate duplicates Z: 39 27.173 2.117 0.578 0.594 0.868 0.579 CB 1.389 39 residues pruned to eliminate duplicates Z: 45 44.273 2.221 0.783 0.677 0.932 0.659 CB 1.536 45 residues pruned to eliminate duplicates Z: 84 47.942 2.197 0.692 0.510 0.916 0.506 CB 1.530 84 residues pruned to eliminate duplicates Z: 67 45.900 2.129 0.729 0.593 0.924 0.576 CB 1.519 67 residues pruned to eliminate duplicates Z: 21 44.410 2.308 0.918 0.919 0.900 0.600 CA 1.757 21 residues pruned to eliminate duplicates Z: 34 44.514 2.275 0.869 0.775 0.970 0.576 CB 1.474 34 residues pruned to eliminate duplicates Z: 73 46.083 2.213 0.722 0.542 0.931 0.528 CB 1.471 73 residues pruned to eliminate duplicates Z: 44 48.301 2.210 0.834 0.691 0.977 0.535 CB 1.561 44 residues pruned to eliminate duplicates Z: 54 45.375 2.197 0.705 0.621 0.981 0.623 CB 1.513 54 residues pruned to eliminate duplicates Z: 43 43.961 2.222 0.659 0.714 0.976 0.548 CA 1.553 43 residues pruned to eliminate duplicates Z: 45 44.640 2.217 0.713 0.682 0.977 0.705 CA 1.535 45 residues pruned to eliminate duplicates Z: 46 40.109 2.160 0.752 0.643 0.956 0.578 CB 1.447 46 residues pruned to eliminate duplicates Z: 17 18.614 2.066 0.653 0.609 0.938 0.688 CB 1.311 17 residues pruned to eliminate duplicates Z: 44 48.361 2.210 0.840 0.706 0.977 0.674 CA 1.540 44 residues pruned to eliminate duplicates Z: 43 47.838 2.217 0.855 0.694 0.976 0.476 CA 1.539 43 residues pruned to eliminate duplicates Z: 53 40.542 2.161 0.720 0.606 0.923 0.519 CA 1.482 53 residues pruned to eliminate duplicates Z: 65 41.533 2.067 0.726 0.575 0.922 0.562 CA 1.470 65 residues pruned to eliminate duplicates Z: 56 37.378 2.147 0.607 0.595 0.909 0.491 CB 1.468 56 residues pruned to eliminate duplicates Z: 20 17.736 1.979 0.603 0.585 0.895 0.368 CB 1.321 20 residues pruned to eliminate duplicates Z: 27 19.208 1.983 0.569 0.494 0.923 0.423 CB 1.320 27 residues pruned to eliminate duplicates Z: 68 41.666 2.121 0.699 0.569 0.910 0.537 CB 1.451 68 residues pruned to eliminate duplicates Z: 31 21.311 2.217 0.716 0.322 0.867 0.433 CB 1.435 31 residues pruned to eliminate duplicates Z: 30 24.755 2.278 0.700 0.351 0.862 0.586 CB 1.617 30 residues pruned to eliminate duplicates Z: 51 47.418 2.215 0.740 0.638 0.980 0.560 CA 1.560 51 residues pruned to eliminate duplicates Z: 37 20.649 2.047 0.633 0.476 0.833 0.361 CB 1.265 37 residues pruned to eliminate duplicates Z: 74 50.651 2.214 0.764 0.563 0.918 0.521 CB 1.556 74 residues pruned to eliminate duplicates Z: 74 46.627 2.229 0.710 0.524 0.904 0.397 CB 1.546 74 residues pruned to eliminate duplicates Z: 31 24.386 2.250 0.768 0.352 0.900 0.433 CB 1.460 31 residues pruned to eliminate duplicates Z: 10 7.651 1.928 0.593 0.338 0.889 0.556 CB 1.115 10 residues pruned to eliminate duplicates Z: 24 20.343 2.203 0.752 0.325 0.870 0.522 CB 1.533 24 residues pruned to eliminate duplicates Z: 31 20.910 2.213 0.687 0.319 0.867 0.433 CB 1.442 31 residues pruned to eliminate duplicates Z: 21 19.613 2.244 0.769 0.306 0.850 0.500 CB 1.614 21 residues pruned to eliminate duplicates Z: 22 19.483 2.215 0.659 0.308 0.905 0.429 CB 1.583 22 residues pruned to eliminate duplicates Z: 30 21.122 2.222 0.569 0.337 0.931 0.552 CB 1.444 30 residues pruned to eliminate duplicates Z: 30 19.459 2.185 0.539 0.299 0.862 0.517 CB 1.561 30 residues pruned to eliminate duplicates Z: 24 17.686 2.168 0.573 0.336 0.870 0.565 CB 1.488 24 residues pruned to eliminate duplicates Z: 22 21.671 2.237 0.647 0.322 0.952 0.524 CB 1.639 20 residues pruned to eliminate duplicates Z: 6 2.688 1.905 0.135 0.164 0.800 0.000 CA 1.047 6 residues pruned to eliminate duplicates Z: 22 15.135 2.219 0.549 0.294 0.810 0.476 CB 1.495 22 residues pruned to eliminate duplicates Z: 23 19.748 2.188 0.708 0.300 0.909 0.455 CB 1.549 23 residues pruned to eliminate duplicates Z: 28 18.770 2.087 0.632 0.305 0.815 0.481 CB 1.619 28 residues pruned to eliminate duplicates Z: 22 19.750 2.196 0.632 0.317 0.905 0.476 CB 1.627 22 residues pruned to eliminate duplicates Z: 26 13.936 2.164 0.491 0.252 0.760 0.440 CB 1.512 26 residues pruned to eliminate duplicates Z: 22 17.737 2.236 0.597 0.267 0.905 0.381 CA 1.562 22 residues pruned to eliminate duplicates Z: 27 16.251 2.144 0.592 0.208 0.846 0.423 CB 1.558 27 residues pruned to eliminate duplicates Z: 14 8.905 1.931 0.504 0.284 0.769 0.462 CA 1.409 14 residues pruned to eliminate duplicates Z: 20 15.327 2.271 0.341 0.260 0.947 0.421 CB 1.604 20 residues pruned to eliminate duplicates Z: 21 13.733 2.212 0.600 0.265 0.750 0.350 CB 1.513 21 residues pruned to eliminate duplicates Z: 35 16.888 2.011 0.508 0.254 0.794 0.382 CA 1.595 35 residues pruned to eliminate duplicates Z: 42 20.642 2.017 0.492 0.340 0.854 0.488 CB 1.494 51 residues pruned to eliminate duplicates Z: 6 2.222 1.520 0.360 0.228 0.600 0.000 CA 1.100 6 residues pruned to eliminate duplicates Z: 48 27.685 2.143 0.388 0.538 0.851 0.638 CB 1.538 48 residues pruned to eliminate duplicates Z: 35 21.222 2.123 0.558 0.325 0.912 0.559 CB 1.463 35 residues pruned to eliminate duplicates Z: 10 12.684 2.137 0.226 0.455 1.000 0.444 N 1.689 10 residues pruned to eliminate duplicates Z: 11 11.793 2.069 0.299 0.398 1.000 0.600 CB 1.547 11 residues pruned to eliminate duplicates Z: 11 9.819 2.078 0.157 0.391 1.000 0.600 CB 1.449 11 residues pruned to eliminate duplicates Z: 26 23.536 2.148 0.388 0.707 0.920 0.680 CB 1.422 26 residues pruned to eliminate duplicates Z: 14 10.460 1.925 0.488 0.362 0.769 0.538 CA 1.528 14 residues pruned to eliminate duplicates Z: 16 12.114 2.127 0.241 0.510 0.933 0.600 CA 1.257 16 residues pruned to eliminate duplicates Z: 14 16.298 1.934 0.648 0.432 1.000 0.692 N 1.523 14 residues pruned to eliminate duplicates Z: 8 5.373 2.062 0.154 0.314 0.857 0.571 CB 1.223 8 residues pruned to eliminate duplicates Z: 17 26.159 2.271 0.527 0.841 1.000 0.812 CB 1.406 17 residues pruned to eliminate duplicates Z: 27 26.499 2.157 0.565 0.654 0.885 0.615 CB 1.509 27 residues pruned to eliminate duplicates Z: 25 23.727 2.161 0.568 0.596 0.875 0.625 CB 1.491 25 residues pruned to eliminate duplicates Z: 23 26.839 2.226 0.543 0.650 0.909 0.591 CB 1.594 23 residues pruned to eliminate duplicates Z: 24 32.668 2.257 0.433 0.755 0.957 0.609 CB 1.753 24 residues pruned to eliminate duplicates Z: 24 27.769 2.122 0.671 0.721 0.913 0.696 CB 1.464 24 residues pruned to eliminate duplicates Z: 23 22.593 2.098 0.589 0.687 0.864 0.545 CB 1.409 23 residues pruned to eliminate duplicates Z: 25 24.548 2.112 0.535 0.665 0.958 0.583 CB 1.384 25 residues pruned to eliminate duplicates Z: 26 26.977 2.205 0.658 0.666 0.880 0.560 CB 1.438 26 residues pruned to eliminate duplicates Z: 23 29.967 2.183 0.840 0.664 0.955 0.500 CB 1.432 23 residues pruned to eliminate duplicates Z: 21 31.265 2.248 0.778 0.722 0.900 0.400 CB 1.590 21 residues pruned to eliminate duplicates Z: 21 27.208 2.237 0.744 0.723 0.850 0.450 CB 1.499 21 residues pruned to eliminate duplicates Z: 13 25.036 2.259 0.729 0.817 0.833 0.167 CB 1.685 13 residues pruned to eliminate duplicates Z: 19 28.455 2.194 0.854 0.771 0.833 0.278 CB 1.557 19 residues pruned to eliminate duplicates Z: 20 28.330 2.180 0.727 0.712 0.895 0.421 CB 1.592 20 residues pruned to eliminate duplicates Z: 40 25.568 2.077 0.563 0.607 0.795 0.256 CB 1.433 40 residues pruned to eliminate duplicates Z: 17 15.388 1.924 0.588 0.537 0.812 0.312 CB 1.495 12 residues pruned to eliminate duplicates Z: 13 18.798 2.058 0.529 0.680 0.833 0.333 CA 1.753 13 residues pruned to eliminate duplicates Z: 13 14.796 2.060 0.252 0.655 0.917 0.583 CB 1.564 11 residues pruned to eliminate duplicates Z: 14 16.335 1.950 0.503 0.695 1.000 0.385 CB 1.294 19 residues pruned to eliminate duplicates Z: 11 15.262 1.896 0.521 0.811 0.900 0.700 CA 1.419 11 residues pruned to eliminate duplicates Z: 12 15.969 2.089 0.652 0.662 0.818 0.636 CA 1.467 12 residues pruned to eliminate duplicates Z: 11 11.469 2.173 0.374 0.696 0.600 0.300 CB 1.693 11 residues pruned to eliminate duplicates Z: 12 20.768 2.182 0.563 0.727 0.818 0.455 CB 1.829 12 residues pruned to eliminate duplicates Z: 13 25.592 2.134 0.865 0.680 0.917 0.417 CB 1.716 12 residues pruned to eliminate duplicates Z: 10 28.371 2.138 0.887 0.906 1.000 0.556 CB 1.667 10 residues pruned to eliminate duplicates Z: 16 20.447 1.941 0.672 0.651 0.867 0.467 CA 1.631 13 residues pruned to eliminate duplicates Z: 14 19.495 1.989 0.857 0.839 0.846 0.385 CB 1.292 14 residues pruned to eliminate duplicates Z: 21 11.926 1.935 0.200 0.409 0.950 0.400 CB 1.329 21 residues pruned to eliminate duplicates Z: 6 3.087 1.557 0.258 0.288 0.800 0.600 N 1.118 6 residues pruned to eliminate duplicates Z: 55 22.349 1.991 0.435 0.393 0.815 0.519 CB 1.464 94 residues pruned to eliminate duplicates Z: 38 13.785 1.945 0.163 0.326 0.865 0.541 CB 1.402 Z: 9 5.232 1.871 0.046 0.375 0.750 0.500 CA 1.440 9 residues pruned to eliminate duplicates Z: 36 17.112 2.002 0.258 0.348 0.914 0.429 CB 1.482 38 residues pruned to eliminate duplicates Z: 6 4.430 1.867 0.489 0.296 0.800 0.800 CB 1.119 6 residues pruned to eliminate duplicates Z: 37 15.457 1.975 0.196 0.376 0.861 0.472 CB 1.447 37 residues pruned to eliminate duplicates Z: 38 16.273 1.965 0.303 0.349 0.892 0.486 CB 1.380 37 residues pruned to eliminate duplicates Z: 6 3.640 1.524 0.419 0.383 0.800 0.200 CA 1.065 6 residues pruned to eliminate duplicates Z: 39 14.983 1.959 0.229 0.329 0.868 0.395 CB 1.402 39 residues pruned to eliminate duplicates Z: 38 15.614 1.975 0.238 0.349 0.892 0.459 CB 1.385 37 residues pruned to eliminate duplicates Z: 6 4.121 1.766 -0.038 0.386 1.000 0.400 CB 1.224 6 residues pruned to eliminate duplicates Z: 33 15.262 1.962 0.214 0.394 0.906 0.562 CB 1.399 33 residues pruned to eliminate duplicates Z: 18 11.011 2.069 0.153 0.397 0.824 0.412 CB 1.515 18 residues pruned to eliminate duplicates Z: 14 12.722 2.036 0.181 0.504 0.923 0.692 CA 1.584 13 residues pruned to eliminate duplicates Z: 7 3.168 1.515 0.199 0.522 0.667 0.500 CA 1.044 7 residues pruned to eliminate duplicates Z: 18 8.063 1.958 0.008 0.309 0.765 0.471 CB 1.602 15 residues pruned to eliminate duplicates 571 residues left after pruning, divided into chains as follows: A: 10 B: 6 C: 8 D: 34 E: 6 F: 33 G: 6 H: 6 I: 11 J: 10 K: 37 L: 16 M: 7 N: 18 O: 9 P: 23 Q: 7 R: 24 S: 80 T: 60 U: 10 V: 101 W: 13 X: 36 CC for partial structure against native data = 21.99 % ------------------------------------------------------------------------------ Global autotracing cycle 10 = 0.300, Contrast = 0.415, Connect. = 0.683 for dens.mod. cycle 1 = 0.300, Contrast = 0.476, Connect. = 0.706 for dens.mod. cycle 2 = 0.300, Contrast = 0.551, Connect. = 0.740 for dens.mod. cycle 3 = 0.300, Contrast = 0.556, Connect. = 0.744 for dens.mod. cycle 4 = 0.300, Contrast = 0.563, Connect. = 0.749 for dens.mod. cycle 5 = 0.300, Contrast = 0.567, Connect. = 0.752 for dens.mod. cycle 6 = 0.300, Contrast = 0.570, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.572, Connect. = 0.757 for dens.mod. cycle 8 = 0.300, Contrast = 0.574, Connect. = 0.759 for dens.mod. cycle 9 = 0.300, Contrast = 0.574, Connect. = 0.761 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6691 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1217 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 33.202 2.143 0.345 0.926 1.000 0.905 CB 1.762 B: 22 43.692 2.236 0.819 0.921 1.000 0.762 CB 1.649 C: 23 39.889 2.154 0.609 0.932 1.000 0.818 CA 1.714 22 residues pruned to eliminate duplicates D: 22 46.684 2.255 0.897 0.927 1.000 0.429 CB 1.669 22 residues pruned to eliminate duplicates E: 19 23.564 2.151 0.394 0.878 1.000 0.667 CB 1.344 F: 19 20.740 2.012 0.651 0.432 1.000 0.778 CA 1.579 G: 23 41.528 2.128 0.756 0.923 1.000 0.727 CA 1.665 23 residues pruned to eliminate duplicates H: 22 36.275 2.135 0.817 0.895 1.000 0.810 CA 1.463 22 residues pruned to eliminate duplicates I: 7 4.743 1.943 0.028 0.399 1.000 0.667 CB 1.079 J: 11 17.465 2.036 0.389 0.790 0.900 0.700 CB 1.683 K: 7 5.681 1.665 0.261 0.247 1.000 0.333 CB 1.480 L: 20 24.253 2.145 0.316 0.891 0.947 0.895 CB 1.496 20 residues pruned to eliminate duplicates M: 13 27.694 2.102 0.817 0.898 0.917 0.667 N 1.633 13 residues pruned to eliminate duplicates N: 18 22.697 2.136 0.277 0.889 1.000 0.882 CB 1.454 18 residues pruned to eliminate duplicates O: 12 19.870 1.946 0.642 0.847 1.000 0.727 CB 1.392 11 residues pruned to eliminate duplicates P: 23 15.897 2.025 0.250 0.439 0.864 0.545 CA 1.652 Q: 23 35.479 2.156 0.563 0.908 0.955 0.727 CA 1.671 23 residues pruned to eliminate duplicates R: 18 23.328 2.163 0.317 0.867 1.000 0.588 CB 1.453 18 residues pruned to eliminate duplicates S: 22 44.179 2.221 0.832 0.905 1.000 0.810 CA 1.687 22 residues pruned to eliminate duplicates T: 23 38.592 2.130 0.674 0.923 1.000 0.909 CA 1.622 23 residues pruned to eliminate duplicates U: 21 12.303 1.995 0.316 0.490 0.850 0.550 CB 1.245 V: 23 37.771 2.137 0.541 0.900 1.000 0.727 CA 1.746 23 residues pruned to eliminate duplicates W: 39 31.522 2.062 0.608 0.633 0.921 0.658 CA 1.477 25 residues pruned to eliminate duplicates X: 23 16.947 2.025 0.243 0.434 0.909 0.455 CB 1.690 23 residues pruned to eliminate duplicates Y: 20 52.789 2.389 0.973 0.939 1.000 0.737 CB 1.785 22 residues pruned to eliminate duplicates Z: 17 32.445 2.272 0.594 0.925 1.000 0.625 CB 1.572 19 residues pruned to eliminate duplicates Z: 21 11.231 1.985 0.599 0.332 0.750 0.500 CA 1.268 21 residues pruned to eliminate duplicates Z: 12 22.066 1.958 0.667 0.882 0.909 0.364 CA 1.622 Z: 22 14.198 1.946 0.408 0.428 0.857 0.333 CB 1.421 22 residues pruned to eliminate duplicates Z: 17 26.474 2.137 0.693 0.892 0.875 0.625 CB 1.502 17 residues pruned to eliminate duplicates Z: 53 44.377 2.192 0.745 0.645 0.942 0.596 CB 1.490 20 residues pruned to eliminate duplicates Z: 19 12.823 1.972 0.461 0.536 0.778 0.500 CB 1.302 19 residues pruned to eliminate duplicates Z: 11 16.868 2.135 0.517 0.883 0.900 0.500 CB 1.324 11 residues pruned to eliminate duplicates Z: 11 18.576 2.060 0.864 0.813 0.900 0.700 CB 1.295 19 residues pruned to eliminate duplicates Z: 11 11.738 2.006 0.292 0.810 0.800 0.600 CB 1.367 11 residues pruned to eliminate duplicates Z: 23 41.993 2.148 0.797 0.914 0.955 0.591 CA 1.718 37 residues pruned to eliminate duplicates Z: 21 10.809 1.954 0.314 0.478 0.750 0.550 CB 1.283 21 residues pruned to eliminate duplicates Z: 22 35.243 2.134 0.415 0.927 1.000 0.857 CA 1.784 22 residues pruned to eliminate duplicates Z: 12 12.303 1.996 0.772 0.454 0.818 0.727 CA 1.342 Z: 21 46.560 2.243 0.960 0.898 1.000 0.600 CB 1.694 21 residues pruned to eliminate duplicates Z: 10 25.356 2.232 0.701 0.868 1.000 0.778 CB 1.627 10 residues pruned to eliminate duplicates Z: 18 30.817 2.106 0.631 0.897 0.941 0.706 CB 1.655 18 residues pruned to eliminate duplicates Z: 44 27.907 1.984 0.555 0.605 0.860 0.558 CA 1.452 44 residues pruned to eliminate duplicates Z: 9 17.366 1.956 0.695 0.917 1.000 1.000 CA 1.307 Z: 22 40.317 2.163 0.624 0.930 1.000 0.810 CB 1.752 22 residues pruned to eliminate duplicates Z: 12 19.057 2.052 0.827 0.796 0.818 0.727 CB 1.446 12 residues pruned to eliminate duplicates Z: 9 15.995 2.086 0.397 0.897 1.000 1.000 CB 1.389 9 residues pruned to eliminate duplicates Z: 18 40.894 2.195 1.018 0.928 0.941 0.471 CB 1.665 18 residues pruned to eliminate duplicates Z: 23 36.615 2.130 0.507 0.911 1.000 0.727 CA 1.723 23 residues pruned to eliminate duplicates Z: 20 37.480 2.305 0.539 0.914 1.000 0.947 CB 1.715 20 residues pruned to eliminate duplicates Z: 35 15.602 2.026 0.213 0.355 0.853 0.382 CB 1.495 Z: 7 5.576 1.800 0.338 0.549 0.833 0.333 CB 1.082 Z: 20 29.324 2.134 0.584 0.906 1.000 0.737 CB 1.415 17 residues pruned to eliminate duplicates Z: 15 9.433 1.964 0.308 0.334 0.929 0.429 CB 1.269 Z: 20 34.681 2.154 0.814 0.907 1.000 0.737 CB 1.447 20 residues pruned to eliminate duplicates Z: 24 17.332 2.032 0.323 0.527 0.913 0.652 CA 1.433 11 residues pruned to eliminate duplicates Z: 58 44.567 2.199 0.682 0.629 0.930 0.579 CB 1.520 45 residues pruned to eliminate duplicates Z: 16 28.418 2.149 0.600 0.933 1.000 0.533 CB 1.490 16 residues pruned to eliminate duplicates Z: 8 4.157 2.051 0.226 0.409 0.571 0.429 CB 1.204 8 residues pruned to eliminate duplicates Z: 19 26.351 2.151 0.718 0.885 0.833 0.500 CB 1.457 19 residues pruned to eliminate duplicates Z: 42 40.147 2.137 0.681 0.699 0.951 0.756 CA 1.531 36 residues pruned to eliminate duplicates Z: 22 43.254 2.199 1.097 0.900 0.952 0.381 CB 1.535 22 residues pruned to eliminate duplicates Z: 22 39.381 2.157 0.646 0.931 1.000 0.571 CB 1.692 22 residues pruned to eliminate duplicates Z: 74 45.733 2.192 0.667 0.549 0.918 0.562 CB 1.522 58 residues pruned to eliminate duplicates Z: 23 35.295 2.062 0.750 0.901 0.955 0.773 CA 1.560 23 residues pruned to eliminate duplicates Z: 22 48.748 2.248 1.067 0.905 1.000 0.619 CA 1.629 22 residues pruned to eliminate duplicates Z: 11 12.159 2.150 0.247 0.465 1.000 0.800 CB 1.486 Z: 21 17.754 1.873 0.259 0.866 0.950 0.800 CB 1.297 21 residues pruned to eliminate duplicates Z: 9 10.517 1.923 0.371 0.828 0.875 0.500 CB 1.214 Z: 22 40.717 2.148 0.724 0.944 1.000 0.667 CB 1.661 22 residues pruned to eliminate duplicates Z: 22 15.851 2.101 0.265 0.398 1.000 0.524 CB 1.448 11 residues pruned to eliminate duplicates Z: 23 32.150 2.087 0.375 0.917 1.000 0.864 CA 1.685 23 residues pruned to eliminate duplicates Z: 12 18.617 1.976 0.543 0.905 0.909 0.727 CB 1.442 12 residues pruned to eliminate duplicates Z: 21 21.113 2.080 0.517 0.576 0.900 0.650 CA 1.546 24 residues pruned to eliminate duplicates Z: 13 11.162 2.033 0.571 0.486 0.833 0.583 CA 1.228 6 residues pruned to eliminate duplicates Z: 23 27.412 2.083 0.541 0.869 0.864 0.500 CA 1.541 23 residues pruned to eliminate duplicates Z: 33 19.592 2.018 0.441 0.491 0.844 0.562 CA 1.425 Z: 13 13.417 2.069 0.622 0.412 0.833 0.417 CB 1.520 11 residues pruned to eliminate duplicates Z: 23 44.954 2.136 0.828 0.899 1.000 0.636 CB 1.755 23 residues pruned to eliminate duplicates Z: 15 13.652 2.028 0.661 0.535 0.857 0.286 CA 1.220 15 residues pruned to eliminate duplicates Z: 19 24.872 2.156 0.483 0.894 1.000 0.889 CB 1.315 19 residues pruned to eliminate duplicates Z: 25 17.020 2.034 0.500 0.391 0.958 0.417 CB 1.334 22 residues pruned to eliminate duplicates Z: 22 41.986 2.246 0.711 0.913 1.000 0.667 CA 1.687 22 residues pruned to eliminate duplicates Z: 9 7.193 1.733 0.550 0.445 0.750 0.625 CB 1.335 9 residues pruned to eliminate duplicates Z: 20 33.980 2.207 0.577 0.948 1.000 1.000 CA 1.548 20 residues pruned to eliminate duplicates Z: 29 24.740 2.086 0.719 0.465 0.893 0.571 CA 1.514 22 residues pruned to eliminate duplicates Z: 22 22.086 2.096 0.571 0.501 0.952 0.524 CA 1.536 22 residues pruned to eliminate duplicates Z: 17 11.085 1.845 0.599 0.479 0.812 0.312 CA 1.181 17 residues pruned to eliminate duplicates Z: 23 35.040 2.112 0.507 0.900 1.000 0.818 CA 1.677 23 residues pruned to eliminate duplicates Z: 31 15.469 2.039 0.210 0.379 0.933 0.533 CB 1.396 30 residues pruned to eliminate duplicates Z: 21 45.243 2.328 0.950 0.923 0.900 0.450 CA 1.740 21 residues pruned to eliminate duplicates Z: 10 7.279 2.120 0.214 0.420 0.667 0.556 CB 1.538 Z: 23 14.032 1.963 0.392 0.402 0.864 0.636 CB 1.406 23 residues pruned to eliminate duplicates Z: 23 18.446 2.000 0.436 0.668 0.864 0.727 CB 1.358 23 residues pruned to eliminate duplicates Z: 11 19.321 2.127 0.678 0.908 1.000 0.800 CB 1.216 12 residues pruned to eliminate duplicates Z: 22 43.195 2.185 0.934 0.850 1.000 0.381 CA 1.652 22 residues pruned to eliminate duplicates Z: 10 8.511 1.509 0.628 0.820 0.889 0.778 CA 0.984 10 residues pruned to eliminate duplicates Z: 28 16.464 1.915 0.685 0.415 0.852 0.630 CA 1.261 28 residues pruned to eliminate duplicates Z: 11 12.258 1.687 0.815 0.803 1.000 0.700 CA 0.971 11 residues pruned to eliminate duplicates Z: 26 15.515 1.921 0.458 0.381 0.880 0.480 CA 1.430 19 residues pruned to eliminate duplicates Z: 20 33.215 2.291 0.434 0.931 1.000 0.947 CB 1.620 20 residues pruned to eliminate duplicates Z: 10 8.434 1.911 0.407 0.404 0.889 0.444 CB 1.301 10 residues pruned to eliminate duplicates Z: 9 15.381 1.974 0.550 0.728 1.000 0.375 CB 1.447 9 residues pruned to eliminate duplicates Z: 23 17.440 2.024 0.537 0.366 0.909 0.636 CA 1.518 23 residues pruned to eliminate duplicates Z: 21 43.925 2.307 0.819 0.921 0.950 0.700 CB 1.734 21 residues pruned to eliminate duplicates Z: 16 13.606 1.809 0.416 0.487 0.933 0.333 CB 1.489 16 residues pruned to eliminate duplicates Z: 31 13.202 1.969 0.483 0.232 0.833 0.433 CA 1.352 31 residues pruned to eliminate duplicates Z: 66 49.540 2.222 0.820 0.561 0.954 0.585 CA 1.501 67 residues pruned to eliminate duplicates Z: 27 17.225 2.100 0.710 0.316 0.769 0.462 CB 1.499 27 residues pruned to eliminate duplicates Z: 16 11.268 1.936 0.253 0.414 0.933 0.533 CB 1.405 14 residues pruned to eliminate duplicates Z: 10 7.237 2.047 0.242 0.409 0.889 0.556 CB 1.174 10 residues pruned to eliminate duplicates Z: 20 25.397 2.159 0.462 0.865 1.000 0.684 CB 1.352 19 residues pruned to eliminate duplicates Z: 64 43.301 2.116 0.719 0.592 0.937 0.476 CB 1.466 56 residues pruned to eliminate duplicates Z: 20 33.413 2.190 0.562 0.907 1.000 0.947 CA 1.593 20 residues pruned to eliminate duplicates Z: 11 11.623 2.011 0.334 0.842 1.000 0.700 CB 1.022 11 residues pruned to eliminate duplicates Z: 12 5.638 1.701 -0.055 0.513 0.818 0.364 CB 1.276 12 residues pruned to eliminate duplicates Z: 16 22.154 2.027 0.671 0.819 0.867 0.467 CB 1.478 16 residues pruned to eliminate duplicates Z: 36 18.806 1.935 0.521 0.436 0.829 0.629 CA 1.393 35 residues pruned to eliminate duplicates Z: 14 5.457 1.666 0.238 0.545 0.769 0.615 CB 0.913 Z: 33 15.290 2.039 0.137 0.367 0.906 0.500 CB 1.484 33 residues pruned to eliminate duplicates Z: 19 13.508 1.921 0.495 0.456 0.889 0.556 CA 1.305 20 residues pruned to eliminate duplicates Z: 7 9.550 1.901 0.701 0.670 1.000 0.667 CB 1.030 Z: 17 12.213 2.052 0.354 0.466 0.812 0.438 CB 1.400 17 residues pruned to eliminate duplicates Z: 11 14.163 1.947 0.662 0.838 0.900 0.800 CB 1.149 11 residues pruned to eliminate duplicates Z: 17 23.386 2.230 0.267 0.898 1.000 0.812 CB 1.481 17 residues pruned to eliminate duplicates Z: 18 21.169 2.200 0.455 0.859 0.882 0.529 CB 1.338 18 residues pruned to eliminate duplicates Z: 31 21.937 2.190 0.656 0.314 0.933 0.567 CB 1.455 31 residues pruned to eliminate duplicates Z: 18 28.935 2.214 0.491 0.899 1.000 0.706 CB 1.519 18 residues pruned to eliminate duplicates Z: 8 6.503 1.717 0.211 0.503 1.000 0.429 CB 1.179 7 residues pruned to eliminate duplicates Z: 75 46.137 2.202 0.668 0.558 0.892 0.635 CB 1.548 74 residues pruned to eliminate duplicates Z: 9 4.820 2.156 -0.011 0.413 0.750 0.500 CB 1.167 9 residues pruned to eliminate duplicates Z: 20 15.857 1.973 0.477 0.910 0.947 0.632 CA 0.935 4 residues pruned to eliminate duplicates Z: 37 16.735 1.993 0.220 0.351 0.944 0.444 CB 1.427 39 residues pruned to eliminate duplicates Z: 18 9.935 1.977 0.223 0.452 0.824 0.471 CB 1.270 18 residues pruned to eliminate duplicates Z: 18 9.444 2.055 0.216 0.346 0.765 0.353 CB 1.417 14 residues pruned to eliminate duplicates Z: 24 16.155 2.069 0.540 0.272 0.913 0.391 CA 1.500 24 residues pruned to eliminate duplicates Z: 11 14.053 1.965 0.477 0.838 0.900 0.600 CB 1.272 11 residues pruned to eliminate duplicates Z: 7 2.332 1.862 -0.111 0.359 0.500 0.333 CB 1.340 Z: 24 19.557 2.060 0.508 0.403 0.957 0.522 CA 1.520 24 residues pruned to eliminate duplicates Z: 16 8.383 1.927 0.109 0.432 0.867 0.600 CB 1.254 9 residues pruned to eliminate duplicates Z: 24 26.553 2.134 0.567 0.600 0.957 0.565 CA 1.573 24 residues pruned to eliminate duplicates Z: 19 16.313 1.974 0.583 0.460 0.944 0.500 CB 1.357 19 residues pruned to eliminate duplicates Z: 34 18.338 1.983 0.466 0.445 0.818 0.455 CB 1.420 34 residues pruned to eliminate duplicates Z: 14 14.938 2.155 0.262 0.536 0.923 0.462 CA 1.593 15 residues pruned to eliminate duplicates Z: 11 16.903 1.956 0.653 0.819 0.900 0.400 CB 1.393 11 residues pruned to eliminate duplicates Z: 33 21.743 2.004 0.493 0.504 0.906 0.719 CA 1.412 33 residues pruned to eliminate duplicates Z: 23 38.417 2.116 0.633 0.902 1.000 0.818 CA 1.690 23 residues pruned to eliminate duplicates Z: 7 11.916 2.024 0.513 0.706 1.000 1.000 CA 1.318 7 residues pruned to eliminate duplicates Z: 18 11.567 2.103 0.524 0.374 0.824 0.529 CB 1.216 Z: 9 4.187 1.978 0.022 0.289 0.750 0.625 CB 1.239 Z: 16 13.212 1.957 0.838 0.491 0.800 0.467 CA 1.196 16 residues pruned to eliminate duplicates Z: 10 16.412 2.096 0.469 0.889 1.000 0.778 CB 1.279 10 residues pruned to eliminate duplicates Z: 20 21.466 2.039 0.587 0.647 1.000 0.737 CB 1.327 19 residues pruned to eliminate duplicates Z: 6 6.022 1.801 0.337 0.501 0.800 0.600 CA 1.397 4 residues pruned to eliminate duplicates Z: 9 13.993 1.943 0.444 0.794 1.000 0.625 CB 1.363 9 residues pruned to eliminate duplicates Z: 11 12.142 1.979 0.343 0.846 0.900 0.800 CB 1.192 11 residues pruned to eliminate duplicates Z: 23 19.093 2.039 0.545 0.457 0.909 0.636 CA 1.485 23 residues pruned to eliminate duplicates Z: 11 6.431 1.837 0.478 0.443 0.700 0.400 CA 1.135 6 residues pruned to eliminate duplicates Z: 31 24.267 2.027 0.585 0.453 0.900 0.533 CA 1.607 31 residues pruned to eliminate duplicates Z: 18 14.363 2.111 0.564 0.512 0.765 0.588 CB 1.364 16 residues pruned to eliminate duplicates Z: 15 30.282 2.215 0.961 0.895 0.929 0.571 CA 1.438 15 residues pruned to eliminate duplicates Z: 14 17.295 1.970 0.673 0.622 1.000 0.538 CA 1.298 14 residues pruned to eliminate duplicates Z: 20 11.274 1.787 0.351 0.441 0.789 0.579 CB 1.442 20 residues pruned to eliminate duplicates Z: 32 41.535 2.212 0.771 0.724 1.000 0.710 CA 1.556 32 residues pruned to eliminate duplicates Z: 22 34.226 2.077 0.650 0.905 1.000 0.667 CB 1.551 22 residues pruned to eliminate duplicates Z: 15 8.480 1.841 0.446 0.419 0.786 0.571 CB 1.179 Z: 20 17.147 1.960 0.407 0.907 0.947 0.789 CA 1.070 21 residues pruned to eliminate duplicates Z: 7 8.251 1.764 0.141 0.891 1.000 0.833 CA 1.203 7 residues pruned to eliminate duplicates Z: 8 7.558 1.689 0.899 0.566 0.857 0.429 CB 0.974 8 residues pruned to eliminate duplicates Z: 20 10.705 1.930 0.239 0.404 0.789 0.474 CB 1.438 20 residues pruned to eliminate duplicates Z: 7 8.508 1.867 1.011 0.470 1.000 0.500 CB 0.954 7 residues pruned to eliminate duplicates Z: 8 6.460 1.466 1.282 0.306 0.857 0.286 N 1.056 Z: 20 44.576 2.275 0.944 0.906 1.000 0.368 CB 1.645 20 residues pruned to eliminate duplicates Z: 10 16.637 1.759 0.827 0.871 1.000 0.889 CA 1.259 10 residues pruned to eliminate duplicates Z: 40 14.686 2.018 0.385 0.366 0.795 0.359 CB 1.223 37 residues pruned to eliminate duplicates Z: 33 22.136 2.035 0.530 0.470 0.906 0.594 CA 1.429 33 residues pruned to eliminate duplicates Z: 10 12.388 2.132 0.353 0.534 0.778 0.556 CA 1.779 11 residues pruned to eliminate duplicates Z: 10 7.093 1.555 0.400 0.512 0.889 0.778 CB 1.208 Z: 54 49.448 2.166 0.790 0.646 0.962 0.547 CB 1.589 54 residues pruned to eliminate duplicates Z: 6 3.863 1.578 0.365 0.465 0.800 0.600 N 1.039 Z: 17 26.107 1.920 0.736 0.890 0.875 0.375 CB 1.610 17 residues pruned to eliminate duplicates Z: 11 16.813 2.061 0.636 0.818 1.000 0.600 CB 1.197 11 residues pruned to eliminate duplicates Z: 50 26.954 2.030 0.359 0.515 0.918 0.571 CA 1.498 50 residues pruned to eliminate duplicates Z: 25 16.895 2.024 0.363 0.477 0.875 0.583 CA 1.462 25 residues pruned to eliminate duplicates Z: 72 50.734 2.229 0.757 0.535 0.944 0.549 CB 1.574 74 residues pruned to eliminate duplicates Z: 7 3.100 1.823 0.440 0.292 0.667 0.500 N 0.914 7 residues pruned to eliminate duplicates Z: 7 6.560 1.481 0.722 0.692 0.833 0.500 CA 1.057 Z: 9 13.989 2.118 0.513 0.844 1.000 0.875 CB 1.149 9 residues pruned to eliminate duplicates Z: 10 5.085 1.673 0.312 0.470 0.778 0.667 CB 1.024 Z: 47 42.180 2.162 0.648 0.666 0.978 0.826 CB 1.531 47 residues pruned to eliminate duplicates Z: 10 6.254 1.795 0.234 0.413 0.667 0.333 CB 1.546 9 residues pruned to eliminate duplicates Z: 9 3.581 1.865 -0.021 0.378 0.625 0.375 CB 1.265 8 residues pruned to eliminate duplicates Z: 20 42.447 2.251 1.112 0.881 0.947 0.368 CB 1.565 20 residues pruned to eliminate duplicates Z: 24 30.620 2.037 0.414 0.897 1.000 0.826 CA 1.586 23 residues pruned to eliminate duplicates Z: 22 19.716 2.119 0.764 0.345 0.857 0.381 CB 1.588 21 residues pruned to eliminate duplicates Z: 8 5.682 1.553 0.533 0.498 0.714 0.429 C 1.265 Z: 22 43.321 2.165 0.802 0.949 1.000 0.667 CB 1.672 22 residues pruned to eliminate duplicates Z: 10 6.759 1.984 0.202 0.526 0.778 0.667 CB 1.183 Z: 10 23.637 2.164 0.639 0.900 0.889 0.778 CA 1.785 11 residues pruned to eliminate duplicates Z: 28 15.653 2.023 0.573 0.319 0.778 0.296 CB 1.486 16 residues pruned to eliminate duplicates Z: 14 22.536 2.068 0.606 0.920 1.000 0.692 CA 1.325 14 residues pruned to eliminate duplicates Z: 11 7.237 2.101 0.440 0.430 0.800 0.500 CB 1.017 11 residues pruned to eliminate duplicates Z: 8 5.076 1.790 0.150 0.642 0.714 0.429 CB 1.143 8 residues pruned to eliminate duplicates Z: 20 23.026 2.050 0.212 0.908 1.000 0.895 CB 1.510 20 residues pruned to eliminate duplicates Z: 16 6.549 1.745 0.075 0.280 0.800 0.400 CB 1.445 16 residues pruned to eliminate duplicates Z: 22 18.874 2.034 0.511 0.584 0.952 0.619 CA 1.299 22 residues pruned to eliminate duplicates Z: 10 9.834 1.898 0.080 0.863 1.000 0.667 CB 1.173 10 residues pruned to eliminate duplicates Z: 22 17.029 2.017 0.514 0.435 0.905 0.619 CA 1.438 22 residues pruned to eliminate duplicates Z: 67 44.031 2.113 0.727 0.570 0.924 0.439 CB 1.502 67 residues pruned to eliminate duplicates Z: 21 16.705 2.000 0.569 0.629 0.800 0.450 CB 1.318 21 residues pruned to eliminate duplicates Z: 13 5.979 1.758 0.448 0.394 0.750 0.417 CB 1.011 10 residues pruned to eliminate duplicates Z: 19 10.383 2.070 0.112 0.391 0.833 0.611 CB 1.432 17 residues pruned to eliminate duplicates Z: 8 2.709 1.752 -0.160 0.339 0.714 0.429 CA 1.160 Z: 6 5.202 1.667 0.177 0.492 1.000 0.400 CA 1.195 Z: 48 38.561 2.149 0.786 0.633 0.894 0.511 CB 1.448 48 residues pruned to eliminate duplicates Z: 16 13.609 2.033 0.299 0.531 0.800 0.733 CB 1.614 16 residues pruned to eliminate duplicates Z: 6 3.828 1.567 0.093 0.743 0.800 0.800 N 1.005 6 residues pruned to eliminate duplicates Z: 29 24.649 2.017 0.245 0.720 0.964 0.786 CA 1.577 29 residues pruned to eliminate duplicates Z: 49 48.253 2.224 0.750 0.675 0.958 0.604 CB 1.588 49 residues pruned to eliminate duplicates Z: 11 7.087 2.033 0.218 0.442 0.900 0.600 CB 1.067 11 residues pruned to eliminate duplicates Z: 35 15.945 1.857 0.484 0.352 0.853 0.500 CA 1.366 35 residues pruned to eliminate duplicates Z: 15 18.406 2.087 0.485 0.522 0.929 0.571 CA 1.673 15 residues pruned to eliminate duplicates Z: 6 4.039 1.730 0.307 0.307 1.000 0.600 CB 0.990 Z: 7 9.208 1.877 0.864 0.465 0.833 0.667 CB 1.335 7 residues pruned to eliminate duplicates Z: 7 4.966 1.644 0.296 0.473 0.833 0.333 CA 1.174 7 residues pruned to eliminate duplicates Z: 24 16.242 1.974 0.599 0.379 0.913 0.522 CA 1.336 24 residues pruned to eliminate duplicates Z: 7 4.280 1.731 0.012 0.552 1.000 0.667 CB 0.948 8 residues pruned to eliminate duplicates Z: 10 5.667 1.568 0.489 0.360 0.889 0.667 CB 1.059 Z: 17 19.756 1.958 0.700 0.859 0.938 0.688 CA 1.164 16 residues pruned to eliminate duplicates Z: 28 12.197 1.940 0.386 0.392 0.778 0.481 CB 1.257 25 residues pruned to eliminate duplicates Z: 19 10.062 1.842 0.374 0.379 0.833 0.500 CA 1.280 19 residues pruned to eliminate duplicates Z: 14 8.508 1.939 0.313 0.437 0.769 0.462 CB 1.285 15 residues pruned to eliminate duplicates Z: 28 8.562 1.852 0.367 0.291 0.741 0.481 CB 1.111 28 residues pruned to eliminate duplicates Z: 7 4.515 1.886 0.229 0.556 0.667 0.667 CB 1.129 6 residues pruned to eliminate duplicates Z: 11 20.605 2.099 0.715 0.901 1.000 0.900 CB 1.292 12 residues pruned to eliminate duplicates Z: 22 28.092 2.142 0.371 0.900 1.000 0.905 CA 1.491 22 residues pruned to eliminate duplicates Z: 10 3.648 1.725 -0.035 0.377 0.556 0.333 C 1.500 10 residues pruned to eliminate duplicates Z: 15 11.918 2.008 0.194 0.424 0.929 0.643 CB 1.548 16 residues pruned to eliminate duplicates Z: 22 20.393 2.114 0.451 0.482 1.000 0.619 CB 1.478 25 residues pruned to eliminate duplicates Z: 10 8.913 1.766 0.316 0.871 0.889 0.667 CB 1.049 10 residues pruned to eliminate duplicates Z: 12 10.177 1.860 0.429 0.612 0.909 0.636 CB 1.142 10 residues pruned to eliminate duplicates Z: 23 17.050 2.013 0.348 0.443 0.864 0.455 CA 1.644 22 residues pruned to eliminate duplicates Z: 15 11.806 1.887 0.551 0.331 0.929 0.571 CB 1.397 15 residues pruned to eliminate duplicates Z: 14 8.755 1.971 0.277 0.828 0.615 0.154 CA 1.181 14 residues pruned to eliminate duplicates Z: 8 6.178 1.844 0.104 0.443 0.857 0.429 CB 1.420 8 residues pruned to eliminate duplicates Z: 13 22.380 2.260 1.009 0.499 0.917 0.500 CB 1.554 13 residues pruned to eliminate duplicates Z: 7 4.617 1.753 0.333 0.659 1.000 0.833 CB 0.696 7 residues pruned to eliminate duplicates Z: 6 10.362 1.809 1.321 0.566 0.800 0.800 CA 1.295 Z: 7 2.479 1.614 0.397 0.294 0.667 0.500 CA 0.849 Z: 19 27.399 2.142 0.564 0.918 1.000 0.944 CB 1.360 19 residues pruned to eliminate duplicates Z: 23 36.040 2.073 0.723 0.911 0.955 0.773 CB 1.597 23 residues pruned to eliminate duplicates Z: 7 2.385 1.853 -0.196 0.349 0.667 0.333 CB 1.155 Z: 18 12.582 2.001 0.457 0.511 0.765 0.647 CB 1.355 29 residues pruned to eliminate duplicates Z: 45 23.493 2.040 0.600 0.383 0.841 0.432 CA 1.461 41 residues pruned to eliminate duplicates Z: 15 14.240 2.017 0.383 0.864 0.857 0.500 CA 1.167 15 residues pruned to eliminate duplicates Z: 17 31.332 2.256 0.686 0.910 1.000 0.812 CB 1.461 17 residues pruned to eliminate duplicates Z: 20 14.117 1.929 0.391 0.411 0.947 0.632 CB 1.399 19 residues pruned to eliminate duplicates Z: 19 12.615 1.782 0.568 0.473 0.944 0.556 CA 1.158 19 residues pruned to eliminate duplicates Z: 10 16.742 1.821 0.690 0.882 1.000 0.778 CA 1.312 10 residues pruned to eliminate duplicates Z: 28 31.561 2.138 0.699 0.644 0.926 0.593 CB 1.578 28 residues pruned to eliminate duplicates Z: 12 14.757 1.823 0.733 0.907 1.000 0.455 CB 1.001 12 residues pruned to eliminate duplicates Z: 16 10.768 1.811 0.414 0.534 0.867 0.533 CB 1.211 15 residues pruned to eliminate duplicates Z: 27 12.803 2.013 0.335 0.319 0.846 0.385 CB 1.348 28 residues pruned to eliminate duplicates Z: 11 17.296 2.020 0.355 0.896 1.000 1.000 CA 1.432 11 residues pruned to eliminate duplicates Z: 9 7.530 1.832 0.195 0.458 0.875 0.750 C 1.452 Z: 20 43.838 2.202 0.857 0.933 0.947 0.316 CB 1.813 20 residues pruned to eliminate duplicates Z: 8 5.688 1.753 0.144 0.622 0.857 0.571 CB 1.115 16 residues pruned to eliminate duplicates Z: 16 12.762 1.835 0.341 0.792 0.933 0.467 CA 1.111 16 residues pruned to eliminate duplicates Z: 10 8.618 2.079 0.253 0.363 0.889 0.333 CA 1.437 10 residues pruned to eliminate duplicates Z: 13 8.403 1.754 0.390 0.592 0.833 0.583 CB 1.093 12 residues pruned to eliminate duplicates Z: 6 4.928 1.819 0.154 0.661 0.800 0.600 CB 1.130 6 residues pruned to eliminate duplicates Z: 14 20.695 2.007 0.566 0.898 0.923 0.615 CA 1.416 14 residues pruned to eliminate duplicates Z: 14 10.617 1.856 0.629 0.433 0.769 0.385 CB 1.357 14 residues pruned to eliminate duplicates Z: 6 3.032 1.274 0.499 0.471 0.800 0.600 O 0.914 6 residues pruned to eliminate duplicates Z: 14 4.593 1.572 0.169 0.482 0.769 0.538 CB 0.917 14 residues pruned to eliminate duplicates Z: 10 5.431 1.488 0.803 0.476 0.778 0.556 CB 0.889 Z: 63 46.296 2.240 0.735 0.579 0.935 0.565 CB 1.499 63 residues pruned to eliminate duplicates Z: 6 5.104 1.634 0.304 0.568 1.000 0.600 CA 1.003 6 residues pruned to eliminate duplicates Z: 11 9.254 1.928 0.450 0.456 0.900 0.400 CB 1.217 13 residues pruned to eliminate duplicates Z: 46 22.743 2.132 0.479 0.339 0.867 0.556 CB 1.478 46 residues pruned to eliminate duplicates Z: 22 16.386 2.036 0.694 0.324 0.857 0.524 CA 1.467 22 residues pruned to eliminate duplicates Z: 18 8.233 1.918 0.111 0.493 0.765 0.529 CB 1.234 18 residues pruned to eliminate duplicates Z: 23 21.352 2.126 0.539 0.482 0.955 0.636 CA 1.484 22 residues pruned to eliminate duplicates Z: 35 20.430 1.931 0.549 0.506 0.912 0.618 CA 1.277 35 residues pruned to eliminate duplicates Z: 8 6.996 1.968 0.458 0.448 0.714 0.571 CB 1.361 15 residues pruned to eliminate duplicates Z: 6 11.296 1.704 0.717 0.706 1.000 0.800 CA 1.432 Z: 8 5.110 1.524 0.660 0.550 0.857 0.571 CB 0.848 Z: 11 28.021 2.164 1.070 0.894 1.000 0.800 CB 1.419 13 residues pruned to eliminate duplicates Z: 6 2.540 1.522 0.205 0.752 0.800 0.600 CB 0.618 Z: 19 11.354 1.902 0.469 0.479 0.833 0.722 CA 1.174 19 residues pruned to eliminate duplicates Z: 9 4.589 1.562 0.281 0.700 0.875 0.875 CB 0.772 Z: 7 9.852 1.924 0.276 0.816 1.000 0.667 CB 1.245 7 residues pruned to eliminate duplicates Z: 21 9.164 1.723 0.306 0.330 0.800 0.350 CA 1.372 27 residues pruned to eliminate duplicates Z: 10 13.175 1.993 0.463 0.623 0.889 0.556 CA 1.509 10 residues pruned to eliminate duplicates Z: 8 2.522 1.486 0.137 0.434 0.714 0.571 N 0.845 Z: 10 4.201 1.912 -0.047 0.375 0.889 0.444 CB 0.988 10 residues pruned to eliminate duplicates Z: 24 17.632 1.994 0.157 0.744 0.957 0.826 CA 1.339 24 residues pruned to eliminate duplicates Z: 6 2.228 1.317 -0.037 0.417 1.000 0.400 O 0.857 Z: 62 39.319 2.059 0.690 0.536 0.902 0.557 CA 1.549 62 residues pruned to eliminate duplicates Z: 16 12.465 2.057 0.160 0.594 0.867 0.733 CB 1.423 16 residues pruned to eliminate duplicates Z: 9 4.851 1.597 0.401 0.505 0.750 0.500 CB 1.017 Z: 22 20.709 2.060 0.587 0.532 0.857 0.667 CA 1.562 21 residues pruned to eliminate duplicates Z: 8 3.682 1.557 0.702 0.209 0.857 0.429 CB 0.864 6 1.793 1.342 0.487 0.343 0.600 0.400 CB 0.795 ? Z: 15 10.772 1.938 0.299 0.338 0.929 0.429 CA 1.470 15 residues pruned to eliminate duplicates Z: 6 7.148 1.867 0.423 0.665 1.000 0.800 CA 1.032 6 residues pruned to eliminate duplicates Z: 52 41.550 2.162 0.557 0.646 0.961 0.686 CB 1.570 52 residues pruned to eliminate duplicates Z: 32 29.974 2.092 0.666 0.622 0.871 0.613 CB 1.581 35 residues pruned to eliminate duplicates Z: 7 4.717 1.853 0.011 0.531 0.833 0.333 CB 1.196 Z: 9 13.033 1.886 0.601 0.864 1.000 0.625 CA 1.119 10 residues pruned to eliminate duplicates Z: 66 39.485 2.087 0.726 0.559 0.923 0.477 CB 1.391 66 residues pruned to eliminate duplicates Z: 13 10.052 1.834 0.325 0.515 0.917 0.583 CA 1.283 14 residues pruned to eliminate duplicates Z: 7 4.860 1.753 0.623 0.610 1.000 0.500 CB 0.629 7 residues pruned to eliminate duplicates Z: 27 15.147 1.988 0.256 0.377 0.923 0.538 CB 1.468 27 residues pruned to eliminate duplicates Z: 17 12.618 2.025 0.303 0.544 0.812 0.438 CB 1.409 17 residues pruned to eliminate duplicates Z: 7 5.261 1.765 0.153 0.520 1.000 0.667 CB 1.035 7 residues pruned to eliminate duplicates Z: 9 6.579 1.900 0.397 0.519 0.875 0.875 CB 0.983 9 residues pruned to eliminate duplicates Z: 6 7.143 1.603 0.611 0.830 1.000 1.000 C 0.931 Z: 11 7.037 1.853 0.456 0.342 0.900 0.600 CB 1.088 11 residues pruned to eliminate duplicates Z: 8 6.456 1.813 0.114 0.616 0.857 0.571 CA 1.263 8 residues pruned to eliminate duplicates Z: 6 2.942 1.433 0.744 0.296 0.600 0.600 C 1.102 Z: 46 29.847 2.150 0.433 0.538 0.889 0.667 CB 1.565 48 residues pruned to eliminate duplicates Z: 7 6.895 1.782 0.226 0.670 0.833 0.500 N 1.322 7 residues pruned to eliminate duplicates Z: 17 12.432 2.056 0.254 0.421 0.938 0.562 CB 1.396 17 residues pruned to eliminate duplicates Z: 66 49.338 2.130 0.799 0.600 0.954 0.538 CB 1.521 66 residues pruned to eliminate duplicates Z: 21 8.746 1.794 0.469 0.319 0.750 0.600 CA 1.208 21 residues pruned to eliminate duplicates Z: 11 7.188 1.787 -0.022 0.627 1.000 0.800 CB 1.154 10 residues pruned to eliminate duplicates Z: 8 9.769 2.011 0.332 0.594 0.857 0.571 CB 1.469 6 residues pruned to eliminate duplicates Z: 18 7.137 1.953 0.001 0.299 0.706 0.235 CB 1.571 18 residues pruned to eliminate duplicates Z: 18 33.894 2.228 0.848 0.932 0.941 0.353 CB 1.481 18 residues pruned to eliminate duplicates Z: 16 14.992 2.037 0.449 0.475 0.800 0.400 N 1.682 16 residues pruned to eliminate duplicates Z: 6 3.115 1.489 0.314 0.491 0.800 0.800 CB 0.898 Z: 10 21.040 2.185 0.501 0.905 1.000 0.889 CB 1.521 10 residues pruned to eliminate duplicates Z: 7 2.309 1.181 0.305 0.241 0.833 0.500 O 0.990 Z: 9 5.203 1.646 0.095 0.560 0.875 0.625 CA 1.101 9 residues pruned to eliminate duplicates Z: 22 36.323 2.090 0.578 0.897 1.000 0.857 CA 1.721 22 residues pruned to eliminate duplicates Z: 9 2.717 1.641 0.270 0.403 0.625 0.500 CB 0.817 Z: 15 10.734 1.786 0.397 0.430 1.000 0.643 CB 1.236 15 residues pruned to eliminate duplicates Z: 25 13.619 1.913 0.335 0.416 0.917 0.542 CA 1.297 25 residues pruned to eliminate duplicates Z: 9 6.008 1.997 0.168 0.398 0.625 0.500 CB 1.623 9 residues pruned to eliminate duplicates Z: 21 46.648 2.275 0.957 0.888 1.000 0.250 CB 1.688 21 residues pruned to eliminate duplicates 6 1.931 1.340 0.200 0.404 0.800 0.400 O 0.743 ? Z: 12 4.369 1.900 0.075 0.292 0.727 0.273 CB 1.120 12 residues pruned to eliminate duplicates Z: 20 23.406 2.118 0.762 0.556 0.947 0.684 CA 1.439 20 residues pruned to eliminate duplicates Z: 8 4.850 1.705 0.295 0.417 0.714 0.571 CA 1.267 Z: 8 2.389 1.520 0.068 0.312 0.714 0.286 N 0.959 Z: 8 8.697 1.664 0.224 0.608 1.000 0.857 CA 1.457 Z: 22 17.923 1.821 0.580 0.832 0.857 0.476 CA 1.190 22 residues pruned to eliminate duplicates Z: 25 18.840 1.961 0.738 0.353 0.875 0.417 CA 1.511 25 residues pruned to eliminate duplicates Z: 19 16.099 2.065 0.476 0.414 0.889 0.556 CA 1.532 19 residues pruned to eliminate duplicates Z: 24 23.137 2.067 0.611 0.559 0.957 0.609 CB 1.430 24 residues pruned to eliminate duplicates Z: 21 38.222 2.156 0.600 0.921 1.000 0.750 CB 1.743 21 residues pruned to eliminate duplicates Z: 6 4.471 2.063 -0.152 0.478 0.800 0.600 CA 1.460 6 residues pruned to eliminate duplicates Z: 11 13.068 2.105 0.560 0.453 0.800 0.500 CA 1.651 11 residues pruned to eliminate duplicates Z: 9 3.953 1.660 -0.104 0.518 0.875 0.625 N 1.055 Z: 21 11.273 1.992 0.624 0.365 0.750 0.350 CB 1.201 13 residues pruned to eliminate duplicates Z: 6 2.331 1.222 0.149 0.401 1.000 0.400 CB 0.824 Z: 15 16.216 2.073 0.333 0.686 0.929 0.786 CB 1.425 15 residues pruned to eliminate duplicates Z: 39 14.613 1.979 0.242 0.335 0.868 0.421 CB 1.331 39 residues pruned to eliminate duplicates Z: 8 2.592 1.439 0.633 0.278 0.571 0.286 CB 0.938 Z: 8 6.280 1.539 0.409 0.605 0.857 0.571 CB 1.156 Z: 13 7.612 1.917 0.475 0.378 0.750 0.667 CB 1.180 13 residues pruned to eliminate duplicates Z: 9 3.642 1.522 0.413 0.268 0.750 0.500 CB 1.040 Z: 10 2.561 1.300 0.394 0.288 0.889 0.444 CB 0.673 8 1.985 1.403 0.198 0.290 0.571 0.571 CA 0.990 ? Z: 6 4.707 1.486 0.736 0.417 0.800 0.400 CB 1.113 Z: 7 4.206 1.390 0.195 0.670 0.833 0.667 CB 1.060 Z: 9 6.856 1.963 0.135 0.539 0.875 0.750 CA 1.196 9 residues pruned to eliminate duplicates Z: 16 6.380 2.002 0.048 0.354 0.667 0.467 CB 1.379 16 residues pruned to eliminate duplicates Z: 8 13.089 2.134 0.127 0.854 1.000 0.714 CB 1.520 8 residues pruned to eliminate duplicates Z: 7 5.079 1.553 0.119 0.588 1.000 1.000 CA 1.097 7 residues pruned to eliminate duplicates Z: 6 6.013 1.820 0.724 0.472 0.800 0.400 CA 1.102 6 residues pruned to eliminate duplicates Z: 67 40.786 2.111 0.752 0.525 0.894 0.470 CA 1.482 67 residues pruned to eliminate duplicates Z: 36 20.939 1.958 0.534 0.488 0.886 0.571 CB 1.347 36 residues pruned to eliminate duplicates Z: 7 3.307 1.721 -0.059 0.410 0.833 0.667 CB 1.098 7 residues pruned to eliminate duplicates Z: 14 7.540 1.767 0.316 0.328 1.000 0.462 CB 1.086 14 residues pruned to eliminate duplicates Z: 7 3.936 1.587 0.255 0.422 0.833 0.333 CB 1.050 7 residues pruned to eliminate duplicates Z: 6 2.869 1.342 0.325 0.623 1.000 0.800 CA 0.642 Z: 21 45.193 2.289 0.860 0.937 1.000 0.550 CB 1.652 21 residues pruned to eliminate duplicates Z: 7 4.072 1.837 0.050 0.250 0.833 0.667 CB 1.380 Z: 7 2.239 1.351 0.065 0.364 1.000 0.500 CB 0.735 Z: 10 14.972 1.984 0.347 0.839 1.000 0.778 CB 1.394 10 residues pruned to eliminate duplicates Z: 10 14.938 2.067 0.660 0.582 0.889 0.444 CB 1.509 10 residues pruned to eliminate duplicates Z: 6 2.774 1.569 0.320 0.405 0.600 0.400 CB 1.104 Z: 21 44.760 2.286 0.895 0.924 1.000 0.500 CA 1.622 21 residues pruned to eliminate duplicates Z: 8 5.147 1.776 0.103 0.639 0.857 0.286 CB 1.017 8 residues pruned to eliminate duplicates Z: 7 3.648 1.503 0.302 0.449 0.833 0.333 CB 0.962 Z: 13 6.307 1.748 0.212 0.361 0.917 0.750 CA 1.089 13 residues pruned to eliminate duplicates Z: 6 6.894 1.820 0.768 0.629 0.800 0.800 CB 1.061 6 residues pruned to eliminate duplicates Z: 10 7.541 1.894 0.380 0.386 0.778 0.333 CB 1.397 10 residues pruned to eliminate duplicates 7 1.954 1.574 0.083 0.290 0.833 0.500 N 0.711 ? Z: 6 2.417 1.441 0.607 0.355 0.800 0.400 N 0.682 Z: 23 18.655 2.046 0.413 0.574 0.909 0.545 CB 1.409 23 residues pruned to eliminate duplicates Z: 16 15.130 2.050 0.377 0.588 0.933 0.667 CB 1.363 16 residues pruned to eliminate duplicates Z: 27 11.221 2.045 0.446 0.382 0.731 0.500 CB 1.155 27 residues pruned to eliminate duplicates Z: 7 2.254 1.506 -0.100 0.415 0.833 0.833 O 0.891 Z: 8 2.601 1.491 0.760 0.339 0.714 0.143 CA 0.625 Z: 8 5.996 1.953 0.185 0.381 1.000 0.714 CB 1.112 8 residues pruned to eliminate duplicates Z: 7 4.206 1.827 -0.065 0.569 0.833 0.333 CB 1.128 7 residues pruned to eliminate duplicates Z: 6 3.176 1.576 -0.169 0.606 0.800 0.600 CB 1.226 6 residues pruned to eliminate duplicates Z: 23 7.133 1.852 0.154 0.231 0.727 0.364 CA 1.338 21 residues pruned to eliminate duplicates Z: 17 16.430 2.022 0.424 0.508 0.875 0.438 CA 1.618 17 residues pruned to eliminate duplicates Z: 6 5.028 1.909 0.133 0.669 1.000 0.800 CB 0.889 6 residues pruned to eliminate duplicates Z: 14 22.357 1.947 0.727 0.780 0.923 0.692 CB 1.561 12 residues pruned to eliminate duplicates Z: 6 5.539 1.523 0.915 0.800 1.000 0.600 CB 0.653 Z: 11 7.792 1.909 0.682 0.171 1.000 0.500 CB 1.143 11 residues pruned to eliminate duplicates Z: 21 18.591 2.078 0.593 0.577 0.900 0.650 CB 1.295 21 residues pruned to eliminate duplicates Z: 8 2.994 1.368 0.735 0.278 0.857 0.286 CB 0.715 Z: 32 14.127 1.920 0.218 0.366 0.903 0.452 CB 1.387 32 residues pruned to eliminate duplicates Z: 25 19.240 2.037 0.471 0.564 0.875 0.583 CA 1.408 25 residues pruned to eliminate duplicates Z: 21 16.851 2.132 0.857 0.446 0.800 0.500 CB 1.258 21 residues pruned to eliminate duplicates Z: 9 3.450 1.354 0.417 0.416 1.000 0.625 CB 0.694 7 residues pruned to eliminate duplicates Z: 10 4.101 1.605 0.041 0.244 0.889 0.444 CB 1.236 10 residues pruned to eliminate duplicates Z: 6 5.907 1.597 0.612 0.487 1.000 0.800 CB 1.040 Z: 7 9.666 2.116 0.891 0.545 0.667 0.500 CB 1.416 7 residues pruned to eliminate duplicates Z: 15 13.946 2.162 0.219 0.521 0.929 0.571 CB 1.493 15 residues pruned to eliminate duplicates Z: 19 32.168 2.154 0.943 0.933 0.944 0.778 CB 1.339 19 residues pruned to eliminate duplicates Z: 9 7.706 1.841 0.530 0.375 0.750 0.625 C 1.474 9 residues pruned to eliminate duplicates Z: 23 12.414 1.895 0.179 0.381 0.909 0.409 CB 1.479 22 residues pruned to eliminate duplicates Z: 9 5.705 2.090 0.295 0.359 0.625 0.375 CB 1.388 9 residues pruned to eliminate duplicates Z: 6 2.498 1.548 0.504 0.391 0.600 0.400 CB 0.898 Z: 10 5.511 1.701 0.108 0.517 0.889 0.556 CA 1.079 10 residues pruned to eliminate duplicates Z: 17 16.204 2.095 0.691 0.583 0.812 0.438 CB 1.299 17 residues pruned to eliminate duplicates Z: 19 11.029 1.942 0.600 0.430 0.833 0.500 CB 1.079 19 residues pruned to eliminate duplicates Z: 6 4.330 1.429 0.373 0.574 1.000 0.400 CB 0.918 Z: 11 7.591 1.899 0.267 0.657 0.900 0.500 CB 0.958 11 residues pruned to eliminate duplicates Z: 8 8.454 1.707 0.431 0.503 1.000 0.857 CB 1.303 8 residues pruned to eliminate duplicates Z: 11 5.700 1.653 0.390 0.494 0.800 0.400 CB 0.987 8 residues pruned to eliminate duplicates Z: 9 9.789 2.007 0.511 0.619 0.875 0.750 CB 1.166 9 residues pruned to eliminate duplicates Z: 6 8.648 1.773 0.317 0.774 1.000 1.000 CB 1.299 Z: 7 4.437 1.014 0.557 0.828 1.000 0.833 N 0.864 7 1.686 1.425 0.346 0.250 0.500 0.500 CB 0.958 ? Z: 14 8.153 1.553 0.322 0.442 0.923 0.615 O 1.267 7 residues pruned to eliminate duplicates Z: 74 51.481 2.173 0.855 0.557 0.945 0.562 CB 1.497 74 residues pruned to eliminate duplicates Z: 6 4.975 1.534 1.002 0.544 0.600 0.400 N 1.157 Z: 9 12.128 1.879 0.515 0.832 1.000 0.750 CA 1.130 9 residues pruned to eliminate duplicates Z: 6 3.538 1.536 -0.044 0.438 1.000 0.800 C 1.148 Z: 7 5.500 1.569 0.757 0.412 0.833 0.333 CB 1.073 Z: 66 45.899 2.133 0.735 0.580 0.954 0.631 CB 1.494 66 residues pruned to eliminate duplicates Z: 6 2.788 1.456 0.381 0.300 0.800 0.400 N 0.969 Z: 16 7.124 1.708 0.532 0.372 0.800 0.467 CB 1.008 16 residues pruned to eliminate duplicates Z: 8 2.507 1.477 0.368 0.338 0.571 0.571 CA 0.979 8 residues pruned to eliminate duplicates Z: 17 12.794 1.970 0.313 0.474 0.875 0.438 CB 1.450 17 residues pruned to eliminate duplicates Z: 23 21.524 2.057 0.722 0.442 0.955 0.682 CA 1.440 23 residues pruned to eliminate duplicates Z: 12 6.683 1.493 0.653 0.388 0.909 0.455 CB 1.011 Z: 6 2.590 1.464 0.382 0.297 0.600 0.400 N 1.197 Z: 6 6.918 1.676 0.173 0.832 1.000 1.000 CB 1.182 7 residues pruned to eliminate duplicates Z: 14 9.097 1.758 0.571 0.432 0.846 0.615 CB 1.158 Z: 10 8.065 1.979 0.431 0.540 0.889 0.778 CB 1.027 10 residues pruned to eliminate duplicates Z: 15 12.356 1.900 0.317 0.443 1.000 0.500 CA 1.399 15 residues pruned to eliminate duplicates Z: 7 3.853 1.493 0.293 0.584 0.833 0.667 CB 0.902 Z: 24 11.098 1.915 0.514 0.381 0.783 0.348 CB 1.157 20 residues pruned to eliminate duplicates Z: 11 18.395 2.023 0.555 0.822 0.900 0.800 N 1.554 11 residues pruned to eliminate duplicates Z: 11 16.539 1.936 0.455 0.792 1.000 0.900 CA 1.437 11 residues pruned to eliminate duplicates Z: 24 15.372 1.945 0.333 0.418 0.957 0.609 CA 1.409 24 residues pruned to eliminate duplicates Z: 7 4.337 1.562 0.520 0.375 0.833 0.667 CB 1.022 Z: 7 3.549 1.573 0.655 0.500 0.833 0.500 CB 0.668 Z: 10 2.706 1.431 0.522 0.330 0.444 0.222 C 1.123 Z: 15 11.268 1.845 0.314 0.538 1.000 0.571 CB 1.197 15 residues pruned to eliminate duplicates Z: 12 32.274 2.202 1.222 0.850 1.000 0.909 CA 1.473 12 residues pruned to eliminate duplicates Z: 6 3.724 1.739 0.698 0.703 1.000 0.800 CB 0.469 6 residues pruned to eliminate duplicates Z: 16 15.265 2.077 0.294 0.831 0.933 0.667 CB 1.181 16 residues pruned to eliminate duplicates Z: 11 4.194 1.346 0.647 0.401 0.800 0.500 N 0.831 Z: 6 3.864 1.722 0.615 0.725 0.800 0.400 CB 0.634 6 residues pruned to eliminate duplicates Z: 10 5.189 1.531 0.264 0.369 0.889 0.333 CB 1.157 10 residues pruned to eliminate duplicates Z: 6 2.841 1.458 0.052 0.323 0.800 0.600 O 1.258 6 residues pruned to eliminate duplicates Z: 8 7.415 1.862 0.428 0.381 1.000 0.571 CA 1.196 8 residues pruned to eliminate duplicates Z: 15 9.102 1.838 0.162 0.601 0.857 0.571 CB 1.207 15 residues pruned to eliminate duplicates Z: 8 4.933 1.911 0.217 0.358 1.000 0.429 CB 0.934 8 residues pruned to eliminate duplicates Z: 8 6.952 1.753 0.261 0.470 0.857 0.857 O 1.429 8 residues pruned to eliminate duplicates Z: 6 2.517 1.297 0.044 0.643 0.800 0.800 CA 0.909 Z: 20 35.915 2.095 0.658 0.916 1.000 0.789 CA 1.675 20 residues pruned to eliminate duplicates Z: 6 4.108 1.341 0.767 0.665 1.000 0.600 CA 0.665 6 residues pruned to eliminate duplicates Z: 11 3.437 1.534 0.081 0.399 0.900 0.400 CB 0.809 11 residues pruned to eliminate duplicates Z: 9 3.141 1.342 0.588 0.319 0.750 0.375 CA 0.849 Z: 31 14.741 1.829 0.400 0.367 0.867 0.600 CA 1.398 27 residues pruned to eliminate duplicates Z: 6 5.939 1.733 0.117 0.685 1.000 0.400 CA 1.158 6 residues pruned to eliminate duplicates 7 1.931 1.210 0.296 0.247 0.667 0.500 CA 1.010 ? Z: 24 15.338 1.928 0.537 0.376 0.913 0.609 CA 1.349 27 residues pruned to eliminate duplicates Z: 20 10.601 1.994 0.458 0.363 0.842 0.474 CB 1.152 20 residues pruned to eliminate duplicates Z: 13 6.042 1.436 0.357 0.717 0.833 0.417 CB 0.882 13 residues pruned to eliminate duplicates Z: 11 5.915 1.602 0.325 0.470 0.800 0.700 CB 1.136 Z: 12 12.982 2.123 0.565 0.419 0.909 0.636 CB 1.410 12 residues pruned to eliminate duplicates Z: 8 14.829 2.058 0.781 0.712 1.000 0.714 CA 1.262 8 residues pruned to eliminate duplicates Z: 6 2.408 1.237 0.165 0.467 0.800 0.800 C 0.967 6 residues pruned to eliminate duplicates Z: 8 10.262 1.985 0.599 0.617 0.857 0.857 CA 1.276 8 residues pruned to eliminate duplicates Z: 15 10.709 1.896 0.303 0.454 0.929 0.786 CA 1.309 15 residues pruned to eliminate duplicates Z: 11 7.959 1.847 0.540 0.469 0.600 0.600 CB 1.522 11 residues pruned to eliminate duplicates Z: 9 13.042 2.117 0.556 0.632 0.750 0.500 CA 1.649 9 residues pruned to eliminate duplicates Z: 17 8.144 1.908 0.284 0.446 0.750 0.438 CB 1.171 17 residues pruned to eliminate duplicates Z: 7 8.078 1.845 0.648 0.524 1.000 0.500 CB 1.059 9 residues pruned to eliminate duplicates Z: 9 4.842 1.978 0.082 0.385 0.625 0.500 CB 1.446 9 residues pruned to eliminate duplicates Z: 10 3.939 1.491 0.019 0.480 0.889 0.444 CA 0.992 10 residues pruned to eliminate duplicates Z: 10 4.520 1.684 0.136 0.405 0.889 0.333 CB 0.980 Z: 6 3.579 1.561 0.813 0.295 0.600 0.600 CA 1.185 Z: 6 7.320 1.685 0.286 0.811 1.000 1.000 CB 1.153 7 residues pruned to eliminate duplicates 8 1.278 1.372 0.568 0.232 0.714 0.286 CB 0.430 ? Z: 14 9.602 1.655 0.404 0.449 0.846 0.385 N 1.427 10 residues pruned to eliminate duplicates Z: 6 3.328 1.461 0.772 0.295 0.600 0.600 N 1.205 Z: 13 7.141 1.638 0.458 0.372 1.000 0.583 CB 0.990 13 residues pruned to eliminate duplicates Z: 6 4.962 1.806 0.485 0.288 0.800 0.600 CB 1.313 Z: 11 4.844 1.573 0.128 0.357 0.900 0.300 N 1.119 Z: 12 7.682 1.767 0.621 0.245 0.818 0.364 CA 1.327 11 residues pruned to eliminate duplicates Z: 7 6.079 1.630 0.601 0.707 0.833 0.333 CB 0.946 Z: 9 6.029 1.966 0.239 0.543 0.875 0.625 CB 0.959 9 residues pruned to eliminate duplicates Z: 7 4.337 1.532 0.268 0.426 0.833 0.333 CB 1.181 7 residues pruned to eliminate duplicates Z: 9 4.078 1.343 0.312 0.313 0.875 0.500 CA 1.151 Z: 9 8.473 1.719 0.757 0.584 0.750 0.750 CA 1.220 6 residues pruned to eliminate duplicates Z: 9 2.291 1.240 0.113 0.405 0.625 0.500 C 1.037 Z: 16 10.359 1.908 0.211 0.496 0.800 0.600 CA 1.453 16 residues pruned to eliminate duplicates Z: 12 10.695 1.924 0.412 0.550 1.000 0.909 CA 1.131 12 residues pruned to eliminate duplicates Z: 16 7.029 1.728 0.310 0.249 0.800 0.333 CA 1.338 16 residues pruned to eliminate duplicates Z: 15 25.285 2.071 0.616 0.852 1.000 0.714 CA 1.493 15 residues pruned to eliminate duplicates Z: 6 4.140 1.332 1.360 0.335 0.800 0.600 CB 0.882 Z: 11 2.820 1.430 0.219 0.215 0.700 0.400 N 1.023 Z: 14 8.194 1.602 0.489 0.521 0.923 0.538 CB 1.011 24 residues pruned to eliminate duplicates Z: 22 12.835 1.999 0.734 0.319 0.714 0.429 CA 1.381 22 residues pruned to eliminate duplicates Z: 22 16.663 1.883 0.535 0.845 0.857 0.714 CA 1.092 22 residues pruned to eliminate duplicates Z: 6 2.996 1.386 0.127 0.341 1.000 0.600 C 1.020 Z: 11 9.330 1.707 0.417 0.408 0.900 0.800 CA 1.492 11 residues pruned to eliminate duplicates Z: 34 29.743 2.042 0.892 0.579 0.848 0.424 CB 1.465 34 residues pruned to eliminate duplicates Z: 6 2.872 1.589 0.679 0.450 0.600 0.600 CB 0.844 Z: 14 10.467 1.944 0.346 0.901 0.769 0.769 CA 1.029 14 residues pruned to eliminate duplicates 9 1.973 1.299 0.010 0.452 0.750 0.375 CA 0.745 ? Z: 6 2.657 1.571 0.058 0.316 0.800 0.400 C 1.095 5 residues pruned to eliminate duplicates Z: 8 6.010 1.297 0.640 0.805 0.857 0.714 CA 0.954 Z: 17 11.860 1.951 0.152 0.457 0.938 0.500 CB 1.469 17 residues pruned to eliminate duplicates Z: 6 2.451 1.513 0.033 0.276 1.000 0.400 CA 0.904 Z: 26 14.104 2.089 0.325 0.378 0.800 0.360 CB 1.451 26 residues pruned to eliminate duplicates Z: 11 5.924 1.726 0.184 0.505 0.900 0.600 CA 1.014 13 residues pruned to eliminate duplicates Z: 6 3.068 1.477 -0.077 0.547 0.800 0.600 C 1.201 Z: 8 6.400 1.713 0.240 0.562 0.857 0.714 CA 1.251 8 residues pruned to eliminate duplicates Z: 7 4.987 1.405 0.897 0.592 0.833 0.500 CA 0.840 Z: 9 4.605 1.390 0.897 0.364 0.750 0.500 CB 0.953 Z: 27 12.669 2.023 0.381 0.359 0.808 0.500 CB 1.282 28 residues pruned to eliminate duplicates Z: 7 3.739 1.495 0.096 0.481 0.833 0.333 CB 1.140 6 1.042 1.187 0.880 0.420 0.800 0.600 CB 0.284 ? Z: 10 4.390 1.464 0.328 0.392 0.778 0.333 CB 1.085 Z: 10 5.928 1.592 0.059 0.534 0.889 0.667 N 1.276 10 residues pruned to eliminate duplicates 6 1.213 1.201 1.132 0.327 0.400 0.400 C 0.640 ? Z: 21 40.459 2.302 0.830 0.900 1.000 0.600 CB 1.534 21 residues pruned to eliminate duplicates Z: 7 5.627 1.582 0.451 0.553 0.833 0.667 CB 1.141 7 residues pruned to eliminate duplicates Z: 6 3.571 1.508 0.167 0.574 1.000 0.600 CB 0.845 Z: 35 35.722 2.179 0.649 0.673 1.000 0.706 CA 1.454 35 residues pruned to eliminate duplicates Z: 10 2.786 1.479 0.652 0.283 0.667 0.222 CB 0.728 Z: 6 2.476 1.506 0.448 0.293 0.600 0.200 CA 1.067 Z: 6 3.417 1.342 0.740 0.797 1.000 0.600 CB 0.505 Z: 6 4.060 1.264 0.298 0.661 1.000 0.400 N 0.953 Z: 8 7.632 1.810 0.343 0.790 0.857 0.714 CB 1.073 8 residues pruned to eliminate duplicates 8 1.590 1.240 0.535 0.342 0.714 0.571 N 0.525 ? Z: 15 13.658 1.902 0.693 0.430 0.929 0.643 CA 1.313 15 residues pruned to eliminate duplicates Z: 6 2.412 1.349 0.281 0.491 0.800 0.800 C 0.787 Z: 16 27.512 2.189 0.720 0.832 0.933 0.533 CA 1.518 16 residues pruned to eliminate duplicates Z: 6 2.175 1.268 -0.159 0.533 0.800 0.600 CA 1.104 Z: 9 4.220 1.810 0.013 0.243 0.750 0.500 CA 1.461 9 residues pruned to eliminate duplicates Z: 23 14.657 2.045 0.357 0.428 0.773 0.455 CA 1.569 23 residues pruned to eliminate duplicates Z: 7 4.439 1.384 0.539 0.342 1.000 0.500 CA 1.010 Z: 8 2.741 1.300 0.390 0.288 0.714 0.286 C 1.020 Using tripeptides from previous cycle as seeds Z: 8 4.649 1.481 0.698 0.355 0.857 0.571 CA 0.953 8 residues pruned to eliminate duplicates Z: 28 13.209 1.887 0.381 0.381 0.852 0.519 CA 1.299 28 residues pruned to eliminate duplicates Z: 34 20.974 2.025 0.525 0.477 0.879 0.576 CA 1.377 34 residues pruned to eliminate duplicates Z: 35 18.628 1.946 0.473 0.414 0.882 0.559 CB 1.381 35 residues pruned to eliminate duplicates Z: 17 12.370 1.889 0.615 0.407 0.875 0.562 CA 1.277 17 residues pruned to eliminate duplicates Z: 35 19.606 1.927 0.483 0.436 0.912 0.471 CA 1.378 35 residues pruned to eliminate duplicates Z: 24 12.880 1.861 0.408 0.379 0.870 0.609 CA 1.340 24 residues pruned to eliminate duplicates Z: 19 8.409 1.918 0.424 0.280 0.833 0.556 CA 1.117 19 residues pruned to eliminate duplicates Z: 16 9.497 1.946 0.458 0.358 0.933 0.667 CA 1.079 16 residues pruned to eliminate duplicates Z: 35 21.349 1.977 0.435 0.509 0.941 0.676 CA 1.359 33 residues pruned to eliminate duplicates Z: 6 6.819 1.560 0.790 0.577 1.000 1.000 CA 1.014 6 residues pruned to eliminate duplicates Z: 35 22.272 1.994 0.519 0.488 0.941 0.706 CA 1.356 35 residues pruned to eliminate duplicates Z: 28 16.440 1.889 0.438 0.395 0.926 0.593 CA 1.405 28 residues pruned to eliminate duplicates Z: 23 18.441 2.057 0.414 0.536 0.955 0.500 CA 1.368 23 residues pruned to eliminate duplicates Z: 16 17.844 2.071 0.511 0.609 1.000 0.667 CA 1.328 16 residues pruned to eliminate duplicates Z: 19 14.002 1.875 0.505 0.562 0.889 0.556 CB 1.238 19 residues pruned to eliminate duplicates Z: 29 14.872 1.939 0.409 0.362 0.857 0.536 CA 1.393 29 residues pruned to eliminate duplicates Z: 24 18.110 2.051 0.515 0.540 0.870 0.739 CA 1.343 24 residues pruned to eliminate duplicates Z: 26 16.148 2.011 0.362 0.538 0.920 0.560 CA 1.235 25 residues pruned to eliminate duplicates Z: 6 4.447 1.357 0.937 0.395 0.800 0.600 O 1.056 6 residues pruned to eliminate duplicates Z: 9 15.452 2.150 0.606 0.747 1.000 0.875 CA 1.268 9 residues pruned to eliminate duplicates Z: 33 23.263 2.014 0.574 0.514 0.906 0.781 CB 1.412 33 residues pruned to eliminate duplicates Z: 34 21.122 1.992 0.527 0.462 0.909 0.576 CA 1.382 34 residues pruned to eliminate duplicates Z: 34 19.584 1.971 0.468 0.496 0.909 0.697 CA 1.301 34 residues pruned to eliminate duplicates Z: 7 9.656 1.772 0.675 0.704 0.833 0.667 CB 1.323 Z: 6 2.599 1.524 0.198 0.289 0.800 0.400 CA 1.008 6 residues pruned to eliminate duplicates Z: 6 10.893 1.828 1.266 0.599 0.800 0.600 CB 1.338 6 residues pruned to eliminate duplicates 6 1.613 1.537 -0.004 0.370 1.000 0.600 CB 0.542 ? Z: 6 2.478 1.739 -0.183 0.446 1.000 0.800 CB 0.824 6 residues pruned to eliminate duplicates Z: 18 12.063 2.104 0.360 0.407 0.765 0.529 CA 1.474 18 residues pruned to eliminate duplicates Z: 19 8.886 1.904 0.263 0.359 0.778 0.500 CA 1.303 19 residues pruned to eliminate duplicates Z: 18 12.586 2.105 0.338 0.375 0.824 0.471 CA 1.505 18 residues pruned to eliminate duplicates Z: 27 12.515 2.070 0.375 0.316 0.769 0.308 CB 1.375 27 residues pruned to eliminate duplicates Z: 27 13.775 2.028 0.416 0.325 0.808 0.423 CB 1.412 27 residues pruned to eliminate duplicates Z: 20 11.860 1.912 0.296 0.443 0.842 0.474 CA 1.383 20 residues pruned to eliminate duplicates Z: 17 9.549 1.935 0.209 0.350 0.812 0.500 CA 1.478 17 residues pruned to eliminate duplicates Z: 17 10.107 2.083 0.174 0.420 0.812 0.562 CB 1.382 17 residues pruned to eliminate duplicates Z: 18 9.791 2.118 0.374 0.325 0.706 0.412 CB 1.401 18 residues pruned to eliminate duplicates Z: 18 13.609 2.187 0.317 0.391 0.824 0.706 CB 1.562 18 residues pruned to eliminate duplicates Z: 17 11.970 2.126 0.454 0.362 0.812 0.500 CB 1.383 17 residues pruned to eliminate duplicates Z: 21 12.499 1.948 0.484 0.410 0.850 0.500 CB 1.251 21 residues pruned to eliminate duplicates Z: 37 12.938 1.890 0.453 0.289 0.778 0.306 CB 1.279 37 residues pruned to eliminate duplicates Z: 22 11.743 1.980 0.504 0.338 0.714 0.238 CB 1.437 22 residues pruned to eliminate duplicates Z: 9 8.774 2.110 0.510 0.417 0.750 0.125 CB 1.416 10 residues pruned to eliminate duplicates Z: 6 4.572 1.535 1.067 0.301 1.000 0.200 CB 0.804 6 residues pruned to eliminate duplicates Z: 6 3.836 1.953 0.243 0.405 0.600 0.400 CB 1.301 6 residues pruned to eliminate duplicates Z: 9 7.169 1.998 0.243 0.435 0.875 0.625 CB 1.247 10 residues pruned to eliminate duplicates Z: 6 3.855 1.742 0.366 0.422 1.000 0.800 CB 0.786 4 residues pruned to eliminate duplicates Z: 6 5.789 1.623 0.780 0.478 1.000 0.800 CB 0.916 6 residues pruned to eliminate duplicates Z: 14 5.165 1.816 0.167 0.432 0.846 0.462 CB 0.857 14 residues pruned to eliminate duplicates Z: 9 8.710 2.038 0.123 0.561 1.000 0.875 CA 1.269 9 residues pruned to eliminate duplicates Z: 10 9.079 2.011 0.018 0.679 1.000 0.778 CA 1.254 9 residues pruned to eliminate duplicates Z: 7 14.368 1.720 1.002 0.711 1.000 0.667 CA 1.406 6 residues pruned to eliminate duplicates Z: 9 14.391 1.834 1.000 0.596 0.875 0.625 CA 1.447 7 residues pruned to eliminate duplicates Z: 12 7.733 1.664 0.689 0.461 0.727 0.545 CB 1.186 12 residues pruned to eliminate duplicates Z: 11 8.224 1.560 0.770 0.374 0.900 0.400 CA 1.197 11 residues pruned to eliminate duplicates Z: 7 2.481 1.589 0.455 0.211 0.500 0.167 CA 1.232 7 residues pruned to eliminate duplicates Z: 8 6.156 1.846 0.599 0.553 0.857 0.571 CB 0.873 7 residues pruned to eliminate duplicates Z: 8 2.677 1.438 0.379 0.243 0.714 0.286 CB 0.961 Z: 6 2.816 1.237 0.839 0.549 0.600 0.200 CB 0.880 6 residues pruned to eliminate duplicates Z: 8 8.011 2.015 0.513 0.411 1.000 0.286 CB 1.090 8 residues pruned to eliminate duplicates Z: 41 14.588 2.046 0.385 0.350 0.775 0.475 CB 1.236 41 residues pruned to eliminate duplicates Z: 28 14.563 2.085 0.463 0.420 0.778 0.407 CB 1.283 28 residues pruned to eliminate duplicates Z: 10 8.896 1.954 0.706 0.319 0.889 0.444 CB 1.221 10 residues pruned to eliminate duplicates Z: 9 6.031 1.915 0.599 0.253 0.875 0.375 CB 1.057 9 residues pruned to eliminate duplicates Z: 19 13.125 2.115 0.533 0.394 0.833 0.611 CB 1.281 19 residues pruned to eliminate duplicates Z: 26 13.905 2.112 0.487 0.417 0.800 0.480 CB 1.206 26 residues pruned to eliminate duplicates Z: 18 11.868 2.091 0.596 0.452 0.824 0.471 CB 1.100 18 residues pruned to eliminate duplicates Z: 36 15.984 2.058 0.459 0.391 0.800 0.371 CB 1.261 36 residues pruned to eliminate duplicates Z: 19 14.869 2.109 0.670 0.421 0.833 0.500 CB 1.296 19 residues pruned to eliminate duplicates Z: 15 10.162 2.073 0.430 0.419 0.786 0.500 CB 1.268 15 residues pruned to eliminate duplicates Z: 20 10.168 1.969 0.539 0.367 0.737 0.526 CB 1.205 20 residues pruned to eliminate duplicates Z: 19 12.197 2.078 0.421 0.508 0.778 0.500 CB 1.242 19 residues pruned to eliminate duplicates Z: 27 14.326 2.079 0.511 0.393 0.808 0.500 CB 1.241 27 residues pruned to eliminate duplicates Z: 31 12.114 2.005 0.437 0.398 0.700 0.367 CB 1.221 31 residues pruned to eliminate duplicates Z: 19 11.112 2.081 0.387 0.497 0.667 0.500 CB 1.366 19 residues pruned to eliminate duplicates Z: 14 13.523 2.059 0.531 0.538 0.769 0.538 CB 1.490 14 residues pruned to eliminate duplicates Z: 23 15.014 2.050 0.446 0.435 0.818 0.500 CB 1.412 23 residues pruned to eliminate duplicates Z: 21 12.081 2.038 0.476 0.448 0.750 0.450 CB 1.262 21 residues pruned to eliminate duplicates Z: 16 7.774 2.060 0.305 0.282 0.733 0.467 CB 1.301 16 residues pruned to eliminate duplicates Z: 14 4.505 1.858 0.204 0.281 0.692 0.462 CB 1.032 14 residues pruned to eliminate duplicates Z: 22 9.348 1.994 0.231 0.335 0.762 0.524 CB 1.306 28 residues pruned to eliminate duplicates Z: 6 8.260 1.578 0.859 0.488 1.000 1.000 CA 1.274 6 residues pruned to eliminate duplicates Z: 16 11.838 2.153 0.426 0.419 0.733 0.400 CB 1.477 15 residues pruned to eliminate duplicates Z: 6 6.914 1.821 0.475 0.344 1.000 0.800 CB 1.363 6 residues pruned to eliminate duplicates Z: 25 8.823 1.888 0.398 0.207 0.750 0.333 CB 1.286 16 residues pruned to eliminate duplicates Z: 6 7.067 1.625 0.702 0.537 0.800 0.400 CB 1.378 6 residues pruned to eliminate duplicates Z: 11 11.425 2.175 0.346 0.377 0.900 0.200 CA 1.563 11 residues pruned to eliminate duplicates Z: 13 8.249 1.958 0.339 0.276 0.750 0.417 CA 1.561 13 residues pruned to eliminate duplicates Z: 14 9.643 1.996 0.337 0.327 0.769 0.308 CB 1.574 20 residues pruned to eliminate duplicates Z: 13 9.904 1.702 0.536 0.638 1.000 0.583 CB 0.961 12 residues pruned to eliminate duplicates Z: 9 8.266 1.870 0.637 0.574 0.875 0.375 CB 1.016 9 residues pruned to eliminate duplicates Z: 14 7.991 1.768 0.246 0.572 0.846 0.538 CA 1.109 14 residues pruned to eliminate duplicates Z: 11 11.295 1.968 0.302 0.587 1.000 0.700 CA 1.282 11 residues pruned to eliminate duplicates Z: 15 10.118 1.816 0.344 0.530 0.929 0.500 CA 1.159 15 residues pruned to eliminate duplicates Z: 16 9.255 1.826 0.231 0.462 0.933 0.533 CB 1.185 17 residues pruned to eliminate duplicates Z: 6 4.518 1.926 0.732 0.699 0.600 0.600 CB 0.842 6 residues pruned to eliminate duplicates Z: 16 10.568 1.879 0.286 0.538 0.933 0.600 CB 1.166 16 residues pruned to eliminate duplicates Z: 7 9.333 1.983 0.598 0.599 1.000 0.500 CB 1.094 7 residues pruned to eliminate duplicates Z: 13 10.651 1.872 0.402 0.595 0.917 0.583 CB 1.167 13 residues pruned to eliminate duplicates Z: 16 10.871 1.874 0.554 0.522 0.867 0.533 CB 1.088 16 residues pruned to eliminate duplicates Z: 6 3.223 1.595 0.497 0.426 0.800 0.600 CB 0.815 6 residues pruned to eliminate duplicates Z: 17 10.523 1.816 0.520 0.507 0.938 0.438 CB 1.010 17 residues pruned to eliminate duplicates Z: 12 10.042 1.805 0.258 0.410 0.909 0.364 CA 1.612 12 residues pruned to eliminate duplicates Z: 12 9.185 1.776 0.398 0.369 0.818 0.364 CA 1.569 12 residues pruned to eliminate duplicates Z: 13 8.199 1.766 0.171 0.338 0.917 0.167 CA 1.489 12 residues pruned to eliminate duplicates Z: 6 4.333 1.367 0.799 0.477 0.800 0.800 CA 1.008 6 residues pruned to eliminate duplicates Z: 28 12.545 1.951 0.319 0.432 0.778 0.519 CB 1.294 36 residues pruned to eliminate duplicates Z: 6 4.082 1.477 0.538 0.461 0.800 0.600 N 1.045 6 residues pruned to eliminate duplicates Z: 19 12.229 2.015 0.434 0.479 0.778 0.500 CB 1.310 19 residues pruned to eliminate duplicates Z: 17 11.064 2.069 0.269 0.472 0.812 0.562 CB 1.333 17 residues pruned to eliminate duplicates Z: 17 12.739 2.005 0.467 0.442 0.812 0.500 CA 1.414 17 residues pruned to eliminate duplicates Z: 29 12.594 1.939 0.334 0.359 0.786 0.429 CB 1.363 29 residues pruned to eliminate duplicates Z: 25 15.108 2.005 0.481 0.483 0.792 0.500 CB 1.334 25 residues pruned to eliminate duplicates Z: 16 12.721 2.067 0.364 0.481 0.800 0.467 CB 1.484 16 residues pruned to eliminate duplicates Z: 22 7.906 1.863 0.283 0.352 0.714 0.381 CB 1.187 22 residues pruned to eliminate duplicates Z: 19 10.761 1.994 0.276 0.457 0.778 0.500 CB 1.339 19 residues pruned to eliminate duplicates Z: 36 24.001 2.163 0.587 0.389 0.829 0.543 CB 1.604 36 residues pruned to eliminate duplicates Z: 42 16.351 1.938 0.412 0.377 0.805 0.537 CB 1.321 42 residues pruned to eliminate duplicates Z: 10 8.060 2.128 0.751 0.171 0.889 0.333 CA 1.209 6 residues pruned to eliminate duplicates Z: 8 4.248 1.797 0.764 0.370 0.857 0.571 CA 0.679 8 residues pruned to eliminate duplicates Z: 9 5.266 2.027 0.203 0.186 0.875 0.375 CA 1.273 9 residues pruned to eliminate duplicates Z: 6 4.232 1.577 0.533 0.548 0.800 0.200 CA 0.934 6 residues pruned to eliminate duplicates Z: 9 6.765 2.197 0.407 0.180 0.875 0.375 CA 1.300 10 residues pruned to eliminate duplicates Z: 7 2.835 1.433 0.658 0.319 1.000 0.500 CA 0.595 8 residues pruned to eliminate duplicates Z: 10 8.627 2.096 0.460 0.376 0.889 0.444 CA 1.206 10 residues pruned to eliminate duplicates Z: 24 18.704 2.053 0.570 0.389 0.913 0.522 CA 1.490 24 residues pruned to eliminate duplicates Z: 24 17.751 2.040 0.619 0.375 0.870 0.565 CA 1.474 24 residues pruned to eliminate duplicates Z: 15 10.562 2.005 0.738 0.250 0.786 0.286 CA 1.375 15 residues pruned to eliminate duplicates Z: 14 8.699 2.057 0.732 0.229 0.692 0.385 CA 1.343 14 residues pruned to eliminate duplicates Z: 7 4.602 1.859 0.820 0.513 0.667 0.333 CA 0.822 7 residues pruned to eliminate duplicates Z: 15 11.602 1.968 0.726 0.312 0.786 0.429 CA 1.432 15 residues pruned to eliminate duplicates Z: 14 11.974 2.042 0.634 0.316 0.846 0.385 CA 1.443 14 residues pruned to eliminate duplicates Z: 15 8.292 1.901 0.642 0.280 0.786 0.357 CA 1.159 15 residues pruned to eliminate duplicates Z: 24 16.112 2.010 0.506 0.396 0.826 0.478 CA 1.499 24 residues pruned to eliminate duplicates Z: 17 13.812 1.932 0.423 0.409 0.938 0.500 CA 1.473 17 residues pruned to eliminate duplicates Z: 23 18.344 2.065 0.463 0.444 0.955 0.591 CA 1.437 23 residues pruned to eliminate duplicates Z: 34 18.205 2.071 0.501 0.319 0.848 0.485 CA 1.466 35 residues pruned to eliminate duplicates Z: 25 17.627 1.969 0.532 0.379 0.958 0.542 CA 1.416 25 residues pruned to eliminate duplicates Z: 12 12.823 2.002 0.341 0.461 1.000 0.636 CB 1.498 12 residues pruned to eliminate duplicates Z: 23 15.905 2.011 0.462 0.438 0.864 0.500 CA 1.424 23 residues pruned to eliminate duplicates Z: 23 19.934 2.083 0.554 0.441 0.909 0.636 CA 1.534 23 residues pruned to eliminate duplicates Z: 24 19.176 2.038 0.574 0.400 0.957 0.565 CA 1.447 24 residues pruned to eliminate duplicates Z: 35 16.683 2.023 0.550 0.295 0.853 0.529 CA 1.345 35 residues pruned to eliminate duplicates Z: 19 15.149 1.926 0.419 0.477 0.889 0.611 CA 1.504 19 residues pruned to eliminate duplicates Z: 9 5.709 1.808 0.139 0.379 0.750 0.500 CA 1.487 9 residues pruned to eliminate duplicates Z: 9 7.615 1.927 0.127 0.405 0.875 0.500 CA 1.565 9 residues pruned to eliminate duplicates Z: 10 6.133 1.848 0.191 0.447 0.667 0.333 N 1.471 10 residues pruned to eliminate duplicates Z: 11 3.214 1.462 0.343 0.258 0.700 0.400 CB 0.976 5 residues pruned to eliminate duplicates Z: 7 2.861 1.496 0.161 0.311 0.833 0.500 CB 0.995 6 residues pruned to eliminate duplicates Z: 7 9.405 2.110 0.117 0.531 1.000 0.500 CA 1.581 7 residues pruned to eliminate duplicates Z: 28 16.023 1.885 0.353 0.391 0.926 0.407 CB 1.466 29 residues pruned to eliminate duplicates Z: 7 5.931 1.821 0.186 0.541 0.833 0.500 O 1.292 7 residues pruned to eliminate duplicates Z: 26 16.494 1.960 0.341 0.449 0.840 0.440 N 1.575 26 residues pruned to eliminate duplicates Z: 17 16.219 2.082 0.400 0.456 0.875 0.125 CB 1.662 17 residues pruned to eliminate duplicates Z: 17 17.044 2.084 0.252 0.482 1.000 0.375 CA 1.663 17 residues pruned to eliminate duplicates Z: 6 6.599 1.765 0.536 0.424 0.800 0.200 CA 1.472 6 residues pruned to eliminate duplicates Z: 17 16.870 2.004 0.401 0.500 1.000 0.438 CA 1.502 17 residues pruned to eliminate duplicates Z: 24 18.574 2.042 0.433 0.454 0.870 0.478 CB 1.596 25 residues pruned to eliminate duplicates Z: 6 7.592 1.698 0.787 0.568 1.000 1.000 CB 1.048 6 residues pruned to eliminate duplicates Z: 29 14.391 1.919 0.371 0.331 0.857 0.393 CB 1.451 29 residues pruned to eliminate duplicates Z: 26 16.512 1.979 0.392 0.410 0.880 0.360 CB 1.497 26 residues pruned to eliminate duplicates Z: 21 16.652 2.055 0.480 0.450 0.800 0.600 N 1.610 21 residues pruned to eliminate duplicates Z: 25 17.018 2.014 0.415 0.422 0.833 0.417 CA 1.586 23 residues pruned to eliminate duplicates Z: 6 2.960 1.669 0.160 0.379 0.800 0.600 CB 0.973 6 residues pruned to eliminate duplicates Z: 6 5.978 2.133 0.056 0.613 0.800 0.400 CB 1.333 6 residues pruned to eliminate duplicates Z: 14 9.690 1.806 0.317 0.546 1.000 0.615 CB 1.080 14 residues pruned to eliminate duplicates Z: 7 6.669 1.912 0.379 0.490 0.667 0.667 CA 1.564 7 residues pruned to eliminate duplicates Z: 38 23.832 2.049 0.470 0.542 0.919 0.541 CA 1.359 38 residues pruned to eliminate duplicates Z: 21 18.557 2.212 0.366 0.474 0.950 0.550 CB 1.484 21 residues pruned to eliminate duplicates Z: 31 25.873 2.135 0.423 0.654 0.967 0.767 CA 1.393 31 residues pruned to eliminate duplicates Z: 32 15.604 2.047 0.326 0.378 0.871 0.452 CB 1.350 34 residues pruned to eliminate duplicates Z: 7 4.163 1.704 0.404 0.417 0.833 0.667 CB 0.930 7 residues pruned to eliminate duplicates Z: 24 17.414 2.048 0.404 0.440 1.000 0.478 CA 1.343 24 residues pruned to eliminate duplicates Z: 32 24.771 2.092 0.445 0.586 0.968 0.581 CA 1.400 32 residues pruned to eliminate duplicates Z: 26 25.121 2.168 0.667 0.604 0.920 0.800 CA 1.369 26 residues pruned to eliminate duplicates Z: 22 20.450 2.116 0.692 0.431 0.952 0.476 CB 1.405 22 residues pruned to eliminate duplicates Z: 20 16.804 2.115 0.401 0.444 1.000 0.579 CB 1.379 20 residues pruned to eliminate duplicates Z: 24 20.755 2.104 0.624 0.433 0.957 0.609 CB 1.419 24 residues pruned to eliminate duplicates Z: 21 20.081 2.196 0.364 0.471 1.000 0.600 CA 1.544 21 residues pruned to eliminate duplicates Z: 28 15.157 2.018 0.344 0.369 0.963 0.407 CB 1.286 28 residues pruned to eliminate duplicates Z: 23 22.263 2.128 0.694 0.447 0.909 0.636 CA 1.529 23 residues pruned to eliminate duplicates Z: 39 25.391 2.055 0.409 0.685 0.947 0.763 CA 1.267 39 residues pruned to eliminate duplicates Z: 12 10.350 2.127 0.134 0.438 1.000 0.727 CA 1.379 12 residues pruned to eliminate duplicates Z: 20 7.889 1.825 0.137 0.419 0.947 0.474 CB 1.002 20 residues pruned to eliminate duplicates Z: 26 23.255 2.007 0.668 0.667 0.920 0.840 CA 1.295 26 residues pruned to eliminate duplicates Z: 29 21.872 2.070 0.305 0.662 0.964 0.536 CA 1.366 29 residues pruned to eliminate duplicates Z: 24 18.433 2.126 0.497 0.473 0.913 0.565 CB 1.360 24 residues pruned to eliminate duplicates Z: 24 17.021 2.031 0.260 0.622 0.913 0.522 CA 1.355 24 residues pruned to eliminate duplicates Z: 36 26.549 2.055 0.431 0.652 0.943 0.571 CA 1.405 36 residues pruned to eliminate duplicates Z: 30 26.693 2.057 0.524 0.700 1.000 0.690 CA 1.318 30 residues pruned to eliminate duplicates Z: 52 35.622 2.019 0.527 0.667 0.980 0.569 CA 1.415 50 residues pruned to eliminate duplicates Z: 22 20.566 1.865 0.711 0.878 1.000 0.714 CA 1.020 22 residues pruned to eliminate duplicates Z: 22 19.913 1.964 0.508 0.663 0.952 0.381 CA 1.325 22 residues pruned to eliminate duplicates Z: 10 11.631 2.063 0.494 0.783 0.889 0.222 CA 1.103 10 residues pruned to eliminate duplicates Z: 11 8.562 1.926 0.597 0.713 0.600 0.100 CA 1.210 11 residues pruned to eliminate duplicates Z: 19 21.421 2.028 0.626 0.905 0.833 0.278 CA 1.307 19 residues pruned to eliminate duplicates Z: 14 16.497 1.978 0.868 0.880 0.769 0.231 CA 1.167 14 residues pruned to eliminate duplicates Z: 28 18.916 1.929 0.661 0.605 0.852 0.370 CA 1.207 28 residues pruned to eliminate duplicates Z: 14 15.982 1.951 0.850 0.786 0.923 0.462 CA 1.034 14 residues pruned to eliminate duplicates Z: 11 9.069 1.854 0.668 0.655 0.800 0.600 CA 1.004 11 residues pruned to eliminate duplicates Z: 16 17.526 1.846 1.092 0.785 0.800 0.467 CA 1.140 16 residues pruned to eliminate duplicates Z: 47 34.723 2.071 0.607 0.545 0.978 0.587 CA 1.505 47 residues pruned to eliminate duplicates Z: 51 36.855 2.089 0.552 0.654 0.960 0.640 CA 1.452 51 residues pruned to eliminate duplicates Z: 27 23.880 2.025 0.615 0.688 0.846 0.346 CB 1.425 27 residues pruned to eliminate duplicates Z: 29 17.957 1.978 0.555 0.537 0.821 0.536 CB 1.295 29 residues pruned to eliminate duplicates Z: 24 15.421 1.836 0.564 0.487 0.870 0.522 CB 1.305 24 residues pruned to eliminate duplicates Z: 26 21.869 2.016 0.596 0.627 0.840 0.520 CB 1.435 26 residues pruned to eliminate duplicates Z: 18 22.993 2.117 0.658 0.694 1.000 0.647 CB 1.330 18 residues pruned to eliminate duplicates Z: 19 13.188 1.928 0.306 0.540 0.944 0.444 CA 1.257 19 residues pruned to eliminate duplicates Z: 12 14.525 1.969 0.759 0.697 0.909 0.455 CB 1.162 12 residues pruned to eliminate duplicates Z: 21 20.200 2.003 0.825 0.591 0.950 0.650 CB 1.192 21 residues pruned to eliminate duplicates Z: 54 34.070 2.036 0.576 0.533 0.925 0.415 CB 1.526 54 residues pruned to eliminate duplicates Z: 12 18.112 2.172 0.433 0.841 1.000 0.909 CB 1.309 12 residues pruned to eliminate duplicates Z: 46 35.876 2.111 0.534 0.528 0.978 0.533 CA 1.643 46 residues pruned to eliminate duplicates Z: 17 11.155 1.974 0.207 0.640 0.875 0.562 CB 1.173 17 residues pruned to eliminate duplicates Z: 11 16.222 2.136 0.290 0.799 1.000 0.900 CB 1.433 11 residues pruned to eliminate duplicates Z: 41 29.778 2.106 0.483 0.574 0.900 0.725 CA 1.559 41 residues pruned to eliminate duplicates Z: 20 20.498 2.069 0.466 0.686 0.947 0.632 CB 1.379 20 residues pruned to eliminate duplicates Z: 19 24.713 2.137 0.569 0.720 1.000 0.667 CB 1.424 19 residues pruned to eliminate duplicates Z: 43 30.230 2.083 0.464 0.560 0.929 0.619 CA 1.554 43 residues pruned to eliminate duplicates Z: 31 25.258 2.048 0.663 0.433 0.900 0.533 CA 1.611 31 residues pruned to eliminate duplicates Z: 11 11.535 1.828 0.739 0.476 0.900 0.400 CB 1.307 11 residues pruned to eliminate duplicates Z: 49 28.434 2.064 0.408 0.515 0.875 0.604 CA 1.591 49 residues pruned to eliminate duplicates Z: 40 35.207 2.138 0.509 0.586 0.974 0.615 CA 1.650 40 residues pruned to eliminate duplicates Z: 31 26.274 2.087 0.607 0.458 0.933 0.600 CA 1.599 31 residues pruned to eliminate duplicates Z: 47 26.861 2.045 0.477 0.512 0.848 0.435 CA 1.529 47 residues pruned to eliminate duplicates Z: 34 24.032 1.997 0.607 0.401 0.970 0.515 CA 1.492 34 residues pruned to eliminate duplicates Z: 23 20.678 2.085 0.581 0.515 0.909 0.545 CA 1.449 23 residues pruned to eliminate duplicates Z: 30 25.319 2.126 0.577 0.450 0.931 0.621 CA 1.586 30 residues pruned to eliminate duplicates Z: 29 23.128 2.081 0.571 0.471 0.857 0.464 CA 1.607 29 residues pruned to eliminate duplicates Z: 22 20.045 2.105 0.448 0.498 0.952 0.667 CA 1.510 22 residues pruned to eliminate duplicates Z: 32 19.888 2.048 0.468 0.432 0.871 0.613 CA 1.465 32 residues pruned to eliminate duplicates Z: 44 28.534 2.078 0.508 0.514 0.884 0.581 CA 1.549 44 residues pruned to eliminate duplicates Z: 30 21.320 2.094 0.530 0.402 0.897 0.552 CA 1.528 30 residues pruned to eliminate duplicates Z: 18 23.060 2.137 0.672 0.396 1.000 0.647 CA 1.747 18 residues pruned to eliminate duplicates Z: 43 28.543 2.084 0.604 0.496 0.857 0.452 CA 1.542 43 residues pruned to eliminate duplicates Z: 25 20.709 2.087 0.562 0.453 0.875 0.500 CA 1.555 25 residues pruned to eliminate duplicates Z: 33 26.044 2.075 0.526 0.472 0.938 0.594 CB 1.596 33 residues pruned to eliminate duplicates Z: 25 20.100 2.034 0.646 0.454 0.875 0.542 CA 1.467 23 residues pruned to eliminate duplicates Z: 10 13.393 1.777 0.973 0.838 1.000 0.667 CA 0.952 11 residues pruned to eliminate duplicates Z: 9 13.017 1.962 0.926 0.846 0.875 0.625 CA 1.034 9 residues pruned to eliminate duplicates Z: 38 26.883 2.075 0.597 0.526 0.865 0.622 CA 1.504 38 residues pruned to eliminate duplicates Z: 46 29.588 2.076 0.532 0.503 0.911 0.556 CA 1.518 46 residues pruned to eliminate duplicates Z: 41 31.795 2.125 0.533 0.561 0.925 0.600 CB 1.573 41 residues pruned to eliminate duplicates Z: 30 26.920 2.043 0.728 0.504 0.897 0.690 CA 1.573 30 residues pruned to eliminate duplicates Z: 17 8.966 1.709 0.529 0.438 0.875 0.375 CB 1.045 17 residues pruned to eliminate duplicates Z: 12 5.958 1.712 0.178 0.527 0.818 0.636 CB 1.060 12 residues pruned to eliminate duplicates Z: 13 10.831 1.777 0.388 0.574 1.000 0.333 CB 1.181 13 residues pruned to eliminate duplicates Z: 10 9.921 1.962 0.169 0.831 0.889 0.778 CB 1.218 10 residues pruned to eliminate duplicates Z: 15 19.185 2.049 0.810 0.643 0.857 0.643 CB 1.412 15 residues pruned to eliminate duplicates Z: 40 24.935 2.090 0.656 0.447 0.897 0.487 CA 1.358 40 residues pruned to eliminate duplicates Z: 40 23.156 2.096 0.613 0.466 0.846 0.564 CA 1.341 40 residues pruned to eliminate duplicates Z: 17 16.899 1.948 0.718 0.585 0.938 0.562 CA 1.241 17 residues pruned to eliminate duplicates Z: 18 16.792 1.973 0.913 0.472 0.824 0.471 CA 1.349 18 residues pruned to eliminate duplicates Z: 29 22.022 2.112 0.570 0.465 0.893 0.500 CA 1.457 29 residues pruned to eliminate duplicates Z: 59 38.744 2.126 0.663 0.579 0.862 0.690 CA 1.547 60 residues pruned to eliminate duplicates Z: 6 2.594 1.650 -0.095 0.241 0.800 0.600 CA 1.312 6 residues pruned to eliminate duplicates Z: 15 11.460 2.090 0.547 0.375 0.857 0.500 CA 1.263 15 residues pruned to eliminate duplicates Z: 41 21.272 2.067 0.467 0.409 0.825 0.500 CA 1.479 41 residues pruned to eliminate duplicates Z: 58 41.311 2.167 0.602 0.585 0.947 0.579 CA 1.533 58 residues pruned to eliminate duplicates Z: 6 3.423 1.531 0.546 0.358 0.800 0.600 C 0.943 6 residues pruned to eliminate duplicates Z: 13 14.425 2.225 0.569 0.417 0.917 0.667 CA 1.419 13 residues pruned to eliminate duplicates Z: 33 19.230 2.075 0.695 0.323 0.844 0.562 CA 1.391 33 residues pruned to eliminate duplicates Z: 41 23.126 2.122 0.600 0.411 0.850 0.550 CA 1.391 41 residues pruned to eliminate duplicates Z: 33 19.853 2.100 0.659 0.359 0.844 0.562 CA 1.390 33 residues pruned to eliminate duplicates Z: 19 22.095 2.150 0.886 0.480 0.889 0.611 CA 1.474 19 residues pruned to eliminate duplicates Z: 63 39.140 2.094 0.647 0.592 0.887 0.548 CA 1.488 63 residues pruned to eliminate duplicates Z: 6 2.433 1.471 0.669 0.310 0.800 0.600 CB 0.684 6 residues pruned to eliminate duplicates Z: 41 35.538 2.006 0.794 0.571 0.875 0.675 CA 1.667 41 residues pruned to eliminate duplicates Z: 11 15.242 2.014 0.778 0.506 1.000 0.700 CA 1.339 11 residues pruned to eliminate duplicates Z: 37 38.713 2.092 0.827 0.674 0.917 0.583 CA 1.570 36 residues pruned to eliminate duplicates Z: 23 37.258 2.195 0.574 0.833 1.000 0.455 CB 1.724 23 residues pruned to eliminate duplicates Z: 60 44.340 2.121 0.759 0.576 0.949 0.576 CA 1.515 60 residues pruned to eliminate duplicates Z: 58 41.856 2.144 0.721 0.554 0.912 0.596 CA 1.562 58 residues pruned to eliminate duplicates Z: 22 40.504 2.184 0.715 0.896 0.952 0.619 CB 1.775 22 residues pruned to eliminate duplicates Z: 64 39.193 2.062 0.668 0.556 0.921 0.492 CA 1.478 64 residues pruned to eliminate duplicates Z: 62 36.996 2.083 0.667 0.524 0.869 0.443 CA 1.533 62 residues pruned to eliminate duplicates Z: 41 31.501 2.032 0.521 0.604 0.925 0.500 CB 1.578 41 residues pruned to eliminate duplicates Z: 32 44.857 2.176 0.758 0.745 1.000 0.613 CB 1.691 32 residues pruned to eliminate duplicates Z: 60 43.439 2.122 0.620 0.599 0.949 0.492 CA 1.578 61 residues pruned to eliminate duplicates Z: 23 43.141 2.150 0.964 0.903 0.909 0.545 CB 1.707 24 residues pruned to eliminate duplicates Z: 23 42.146 2.152 0.817 0.921 0.909 0.591 CB 1.779 23 residues pruned to eliminate duplicates Z: 23 46.889 2.152 0.851 0.914 1.000 0.636 CB 1.774 23 residues pruned to eliminate duplicates Z: 22 34.294 2.145 0.726 0.927 0.857 0.619 CB 1.652 22 residues pruned to eliminate duplicates Z: 63 45.628 2.099 0.818 0.561 0.903 0.581 CA 1.585 63 residues pruned to eliminate duplicates Z: 36 33.364 2.056 0.730 0.639 0.857 0.600 CA 1.625 36 residues pruned to eliminate duplicates Z: 51 39.600 2.163 0.650 0.567 0.940 0.580 CA 1.565 51 residues pruned to eliminate duplicates Z: 24 42.669 2.097 0.881 0.894 0.957 0.478 CA 1.691 24 residues pruned to eliminate duplicates Z: 62 39.166 2.109 0.566 0.582 0.902 0.492 CA 1.556 62 residues pruned to eliminate duplicates Z: 46 43.586 2.181 0.746 0.635 0.956 0.533 CA 1.573 46 residues pruned to eliminate duplicates Z: 64 39.770 2.114 0.699 0.551 0.857 0.540 CA 1.549 64 residues pruned to eliminate duplicates Z: 60 38.802 2.123 0.623 0.556 0.898 0.508 CA 1.546 60 residues pruned to eliminate duplicates Z: 36 37.768 2.094 0.751 0.661 0.943 0.600 CB 1.591 36 residues pruned to eliminate duplicates Z: 6 4.478 1.662 0.480 0.488 0.800 0.600 CB 1.030 Z: 13 12.759 2.032 0.557 0.452 0.833 0.583 CB 1.468 13 residues pruned to eliminate duplicates Z: 13 11.434 2.019 0.459 0.376 0.917 0.417 CB 1.395 13 residues pruned to eliminate duplicates Z: 13 8.571 1.984 0.540 0.322 0.667 0.333 CB 1.478 13 residues pruned to eliminate duplicates Z: 9 12.157 2.205 0.583 0.467 0.750 0.250 CB 1.699 9 residues pruned to eliminate duplicates Z: 13 9.239 1.966 0.478 0.323 0.750 0.500 CB 1.487 13 residues pruned to eliminate duplicates Z: 52 38.726 2.094 0.584 0.652 0.980 0.765 CA 1.447 52 residues pruned to eliminate duplicates Z: 28 30.046 2.146 0.738 0.658 0.963 0.778 CA 1.391 28 residues pruned to eliminate duplicates Z: 53 40.719 2.173 0.579 0.632 0.962 0.673 CA 1.512 53 residues pruned to eliminate duplicates Z: 26 26.378 2.157 0.465 0.646 1.000 0.720 CA 1.456 26 residues pruned to eliminate duplicates Z: 49 47.256 2.245 0.658 0.679 0.979 0.812 CA 1.587 49 residues pruned to eliminate duplicates Z: 22 22.399 2.152 0.713 0.562 0.952 0.714 CA 1.311 22 residues pruned to eliminate duplicates Z: 23 31.629 2.198 0.672 0.672 1.000 0.682 CA 1.566 23 residues pruned to eliminate duplicates Z: 52 44.858 2.214 0.711 0.626 0.941 0.745 CB 1.566 52 residues pruned to eliminate duplicates Z: 54 45.348 2.174 0.657 0.633 0.981 0.642 CB 1.555 54 residues pruned to eliminate duplicates Z: 54 45.798 2.182 0.823 0.622 0.943 0.660 CB 1.494 54 residues pruned to eliminate duplicates Z: 27 28.500 2.137 0.584 0.631 0.962 0.731 CA 1.518 27 residues pruned to eliminate duplicates Z: 44 43.746 2.241 0.633 0.693 0.977 0.744 CA 1.564 44 residues pruned to eliminate duplicates Z: 35 37.943 2.087 0.849 0.653 0.912 0.618 CA 1.604 35 residues pruned to eliminate duplicates Z: 56 42.513 2.173 0.624 0.600 0.982 0.564 CB 1.503 56 residues pruned to eliminate duplicates Z: 22 25.360 2.177 0.703 0.601 0.952 0.476 CA 1.423 22 residues pruned to eliminate duplicates Z: 34 41.595 2.243 0.742 0.676 0.970 0.636 CA 1.625 34 residues pruned to eliminate duplicates Z: 56 38.423 2.142 0.671 0.588 0.909 0.600 CB 1.463 40 residues pruned to eliminate duplicates Z: 21 44.417 2.279 0.908 0.895 0.950 0.550 CB 1.723 20 residues pruned to eliminate duplicates Z: 22 45.827 2.256 0.852 0.909 1.000 0.714 CB 1.699 21 residues pruned to eliminate duplicates Z: 21 45.705 2.303 0.942 0.912 0.950 0.500 CA 1.703 22 residues pruned to eliminate duplicates Z: 21 43.891 2.293 0.944 0.935 0.950 0.450 CB 1.615 21 residues pruned to eliminate duplicates Z: 55 46.356 2.181 0.796 0.616 0.944 0.444 CB 1.527 45 residues pruned to eliminate duplicates Z: 20 52.875 2.357 1.087 0.923 1.000 0.526 CB 1.733 20 residues pruned to eliminate duplicates Z: 50 49.405 2.225 0.799 0.673 0.959 0.571 CB 1.568 51 residues pruned to eliminate duplicates Z: 21 55.523 2.321 1.166 0.945 1.000 0.750 CB 1.709 21 residues pruned to eliminate duplicates Z: 72 39.005 2.124 0.736 0.450 0.887 0.451 CA 1.489 71 residues pruned to eliminate duplicates Z: 20 51.447 2.346 0.995 0.933 1.000 0.579 CA 1.760 20 residues pruned to eliminate duplicates Z: 51 42.662 2.199 0.646 0.632 0.940 0.600 CA 1.568 51 residues pruned to eliminate duplicates Z: 76 50.668 2.185 0.799 0.535 0.947 0.533 CB 1.519 76 residues pruned to eliminate duplicates Z: 46 43.091 2.209 0.694 0.665 0.956 0.622 CB 1.542 46 residues pruned to eliminate duplicates Z: 47 41.625 2.154 0.797 0.628 0.935 0.500 CB 1.503 47 residues pruned to eliminate duplicates Z: 34 45.920 2.273 0.785 0.747 1.000 0.606 CB 1.580 34 residues pruned to eliminate duplicates Z: 65 46.208 2.230 0.731 0.563 0.922 0.609 CB 1.528 65 residues pruned to eliminate duplicates Z: 56 37.893 2.104 0.719 0.545 0.891 0.491 CB 1.517 56 residues pruned to eliminate duplicates Z: 45 41.965 2.218 0.700 0.660 0.977 0.636 CA 1.481 45 residues pruned to eliminate duplicates Z: 11 20.354 2.054 0.930 0.731 1.000 0.500 CA 1.319 11 residues pruned to eliminate duplicates Z: 57 43.136 2.174 0.802 0.592 0.929 0.464 CB 1.451 57 residues pruned to eliminate duplicates Z: 46 47.651 2.192 0.841 0.665 0.978 0.533 CA 1.545 46 residues pruned to eliminate duplicates Z: 10 14.863 2.200 0.462 0.868 1.000 0.778 CB 1.126 10 residues pruned to eliminate duplicates Z: 46 45.870 2.186 0.795 0.654 0.978 0.556 CB 1.545 46 residues pruned to eliminate duplicates Z: 64 41.349 2.150 0.591 0.595 0.921 0.571 CB 1.512 64 residues pruned to eliminate duplicates Z: 52 45.087 2.206 0.686 0.620 0.961 0.667 CA 1.577 52 residues pruned to eliminate duplicates Z: 73 54.010 2.228 0.783 0.538 0.972 0.556 CB 1.588 73 residues pruned to eliminate duplicates Z: 51 44.500 2.205 0.746 0.658 0.920 0.600 CB 1.535 51 residues pruned to eliminate duplicates Z: 54 42.269 2.162 0.726 0.636 0.943 0.585 CB 1.451 54 residues pruned to eliminate duplicates Z: 66 41.666 2.133 0.600 0.589 0.923 0.569 CB 1.507 66 residues pruned to eliminate duplicates Z: 12 8.049 1.866 0.526 0.351 0.818 0.636 CB 1.223 12 residues pruned to eliminate duplicates Z: 54 40.635 2.185 0.654 0.595 0.906 0.509 CA 1.557 54 residues pruned to eliminate duplicates Z: 31 21.245 2.190 0.611 0.334 0.833 0.500 CB 1.582 31 residues pruned to eliminate duplicates Z: 63 52.572 2.262 0.820 0.586 0.919 0.532 CB 1.624 63 residues pruned to eliminate duplicates Z: 75 46.014 2.190 0.700 0.529 0.919 0.527 CB 1.519 75 residues pruned to eliminate duplicates Z: 32 22.444 2.135 0.684 0.321 0.903 0.452 CB 1.512 32 residues pruned to eliminate duplicates Z: 18 12.173 2.048 0.721 0.334 0.824 0.471 CB 1.220 18 residues pruned to eliminate duplicates Z: 29 23.853 2.190 0.787 0.330 0.893 0.571 CB 1.555 29 residues pruned to eliminate duplicates Z: 24 20.772 2.161 0.804 0.358 0.826 0.478 CB 1.567 24 residues pruned to eliminate duplicates Z: 23 19.488 2.216 0.735 0.304 0.818 0.545 CA 1.643 23 residues pruned to eliminate duplicates Z: 73 52.058 2.234 0.812 0.531 0.931 0.569 CB 1.580 73 residues pruned to eliminate duplicates Z: 25 18.221 2.170 0.548 0.299 0.917 0.458 CB 1.512 25 residues pruned to eliminate duplicates Z: 28 20.681 2.177 0.604 0.387 0.852 0.370 CB 1.508 28 residues pruned to eliminate duplicates Z: 74 51.882 2.199 0.775 0.542 0.932 0.562 CA 1.603 74 residues pruned to eliminate duplicates Z: 73 51.747 2.215 0.802 0.550 0.917 0.611 CB 1.587 74 residues pruned to eliminate duplicates Z: 6 3.405 1.581 1.023 0.202 0.800 0.400 CA 0.847 6 residues pruned to eliminate duplicates Z: 73 51.428 2.239 0.720 0.537 0.944 0.528 CB 1.607 73 residues pruned to eliminate duplicates Z: 31 20.365 2.173 0.588 0.292 0.833 0.500 CB 1.632 31 residues pruned to eliminate duplicates Z: 25 19.991 2.177 0.716 0.288 0.875 0.458 CB 1.584 25 residues pruned to eliminate duplicates Z: 63 47.427 2.263 0.761 0.559 0.919 0.532 CB 1.552 63 residues pruned to eliminate duplicates Z: 72 51.319 2.235 0.801 0.538 0.930 0.577 CB 1.568 72 residues pruned to eliminate duplicates Z: 51 34.734 2.163 0.434 0.566 0.940 0.660 CA 1.581 51 residues pruned to eliminate duplicates Z: 36 26.806 2.036 0.314 0.667 0.943 0.571 CB 1.539 36 residues pruned to eliminate duplicates Z: 52 34.310 2.144 0.498 0.525 0.902 0.608 CB 1.617 52 residues pruned to eliminate duplicates Z: 37 30.315 2.089 0.328 0.679 0.917 0.667 CA 1.685 37 residues pruned to eliminate duplicates Z: 40 27.053 2.165 0.392 0.464 0.949 0.564 CA 1.571 40 residues pruned to eliminate duplicates Z: 26 16.283 2.040 0.114 0.576 0.920 0.680 CB 1.449 26 residues pruned to eliminate duplicates Z: 26 25.460 2.163 0.261 0.702 0.960 0.760 CB 1.618 26 residues pruned to eliminate duplicates Z: 13 9.220 1.815 0.314 0.346 0.917 0.583 N 1.440 13 residues pruned to eliminate duplicates Z: 29 29.325 2.105 0.313 0.754 1.000 0.714 CB 1.598 29 residues pruned to eliminate duplicates Z: 24 25.501 2.163 0.491 0.719 0.957 0.609 CA 1.414 24 residues pruned to eliminate duplicates Z: 29 26.403 2.085 0.518 0.671 0.929 0.536 CB 1.451 29 residues pruned to eliminate duplicates Z: 25 27.360 2.172 0.547 0.691 0.958 0.458 CB 1.456 25 residues pruned to eliminate duplicates Z: 31 25.170 2.081 0.271 0.636 0.967 0.633 CB 1.582 31 residues pruned to eliminate duplicates Z: 28 29.772 2.156 0.446 0.751 0.963 0.593 CB 1.526 28 residues pruned to eliminate duplicates Z: 29 27.400 2.082 0.586 0.708 0.893 0.536 CB 1.454 29 residues pruned to eliminate duplicates Z: 23 31.685 2.191 0.612 0.754 1.000 0.364 CB 1.525 23 residues pruned to eliminate duplicates Z: 59 34.007 2.166 0.443 0.489 0.914 0.448 CB 1.581 59 residues pruned to eliminate duplicates Z: 28 30.992 2.149 0.557 0.729 0.963 0.519 CB 1.506 28 residues pruned to eliminate duplicates Z: 26 26.463 2.151 0.517 0.665 0.960 0.520 CB 1.451 26 residues pruned to eliminate duplicates Z: 15 28.269 2.252 0.591 0.892 0.929 0.643 CB 1.630 15 residues pruned to eliminate duplicates Z: 29 31.319 2.086 0.680 0.678 0.929 0.571 CB 1.544 29 residues pruned to eliminate duplicates Z: 25 29.369 2.166 0.642 0.695 0.917 0.625 CB 1.539 25 residues pruned to eliminate duplicates Z: 26 27.956 2.104 0.553 0.720 0.960 0.560 CB 1.461 26 residues pruned to eliminate duplicates Z: 26 28.662 2.093 0.571 0.658 0.960 0.640 CB 1.569 26 residues pruned to eliminate duplicates Z: 24 28.203 2.188 0.723 0.705 0.913 0.522 CB 1.418 24 residues pruned to eliminate duplicates Z: 29 30.450 2.115 0.578 0.666 0.964 0.500 CB 1.534 29 residues pruned to eliminate duplicates Z: 47 25.851 2.079 0.532 0.510 0.870 0.609 CB 1.363 86 residues pruned to eliminate duplicates Z: 29 33.594 2.121 0.685 0.749 0.964 0.679 CB 1.475 29 residues pruned to eliminate duplicates Z: 25 27.350 2.121 0.662 0.719 0.875 0.667 CB 1.485 25 residues pruned to eliminate duplicates Z: 11 25.017 2.188 0.718 0.809 0.900 0.500 CA 1.786 11 residues pruned to eliminate duplicates Z: 14 17.032 2.015 0.409 0.618 0.846 0.462 CB 1.757 14 residues pruned to eliminate duplicates Z: 15 16.769 1.971 0.747 0.608 0.786 0.357 CB 1.496 15 residues pruned to eliminate duplicates Z: 14 20.816 2.068 0.710 0.622 0.923 0.385 CB 1.576 14 residues pruned to eliminate duplicates Z: 12 26.888 2.211 0.796 0.741 0.909 0.364 CB 1.810 12 residues pruned to eliminate duplicates Z: 12 13.937 2.056 0.583 0.641 0.727 0.364 CB 1.556 12 residues pruned to eliminate duplicates Z: 14 13.490 1.945 0.552 0.603 0.692 0.308 CA 1.623 14 residues pruned to eliminate duplicates Z: 11 17.513 2.201 0.704 0.727 0.700 0.500 CA 1.720 11 residues pruned to eliminate duplicates Z: 42 33.053 2.042 0.587 0.649 0.927 0.537 CB 1.495 42 residues pruned to eliminate duplicates Z: 14 19.889 2.002 0.522 0.787 0.923 0.538 CA 1.524 14 residues pruned to eliminate duplicates Z: 34 28.443 2.141 0.728 0.489 0.879 0.424 CB 1.540 34 residues pruned to eliminate duplicates Z: 15 12.231 1.952 0.383 0.376 0.929 0.571 CB 1.489 15 residues pruned to eliminate duplicates Z: 36 15.986 2.013 0.243 0.356 0.886 0.429 CB 1.426 36 residues pruned to eliminate duplicates Z: 37 18.237 2.012 0.235 0.379 0.944 0.444 CB 1.475 37 residues pruned to eliminate duplicates Z: 27 12.819 1.960 0.393 0.245 0.846 0.500 CB 1.460 66 residues pruned to eliminate duplicates Z: 24 12.211 1.960 0.335 0.331 0.913 0.435 CB 1.282 Z: 6 3.035 1.449 0.232 0.741 1.000 0.600 CB 0.612 6 residues pruned to eliminate duplicates Z: 39 15.659 1.907 0.265 0.332 0.842 0.500 CB 1.503 22 residues pruned to eliminate duplicates Z: 6 8.421 2.053 0.399 0.459 1.000 0.800 CA 1.367 6 residues pruned to eliminate duplicates Z: 34 18.735 1.975 0.525 0.387 0.848 0.485 CA 1.439 75 residues pruned to eliminate duplicates Z: 38 16.067 1.975 0.232 0.322 0.892 0.405 CB 1.482 Z: 6 3.885 1.496 0.304 0.383 1.000 0.600 CA 1.008 6 residues pruned to eliminate duplicates Z: 28 11.436 1.808 0.395 0.281 0.889 0.370 CB 1.258 29 residues pruned to eliminate duplicates Z: 6 2.649 1.562 0.049 0.311 0.800 0.400 CB 1.114 6 residues pruned to eliminate duplicates Z: 40 15.971 2.026 0.184 0.344 0.846 0.410 CB 1.493 38 residues pruned to eliminate duplicates Z: 6 2.537 1.344 0.181 0.351 1.000 0.200 CB 0.840 6 residues pruned to eliminate duplicates Z: 40 16.555 1.981 0.310 0.328 0.872 0.410 CB 1.416 39 residues pruned to eliminate duplicates Z: 6 6.410 1.984 0.206 0.350 0.800 0.400 CB 1.762 6 residues pruned to eliminate duplicates Z: 38 14.726 1.900 0.226 0.335 0.892 0.405 CB 1.395 38 residues pruned to eliminate duplicates Z: 16 11.970 2.062 0.168 0.456 0.800 0.533 CB 1.677 16 residues pruned to eliminate duplicates Z: 6 4.708 1.741 0.505 0.444 0.600 0.400 CA 1.418 6 residues pruned to eliminate duplicates 550 residues left after pruning, divided into chains as follows: A: 6 B: 8 C: 7 D: 11 E: 14 F: 7 G: 37 H: 7 I: 9 J: 10 K: 40 L: 15 M: 8 N: 9 O: 23 P: 7 Q: 23 R: 90 S: 60 T: 124 U: 35 CC for partial structure against native data = 21.19 % ------------------------------------------------------------------------------ Global autotracing cycle 11 = 0.300, Contrast = 0.419, Connect. = 0.682 for dens.mod. cycle 1 = 0.300, Contrast = 0.481, Connect. = 0.704 for dens.mod. cycle 2 = 0.300, Contrast = 0.556, Connect. = 0.739 for dens.mod. cycle 3 = 0.300, Contrast = 0.561, Connect. = 0.743 for dens.mod. cycle 4 = 0.300, Contrast = 0.567, Connect. = 0.748 for dens.mod. cycle 5 = 0.300, Contrast = 0.571, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.574, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.576, Connect. = 0.757 for dens.mod. cycle 8 = 0.300, Contrast = 0.577, Connect. = 0.759 for dens.mod. cycle 9 = 0.300, Contrast = 0.577, Connect. = 0.760 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6734 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1222 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 29.789 2.111 0.310 0.918 1.000 0.905 CA 1.658 B: 10 19.574 2.165 0.664 0.804 1.000 0.444 CB 1.389 C: 20 21.903 2.075 0.227 0.885 1.000 0.895 CB 1.425 D: 10 22.900 2.172 0.654 0.894 0.889 0.556 CB 1.715 10 residues pruned to eliminate duplicates E: 11 17.428 2.118 0.621 0.780 0.900 0.600 CB 1.393 11 residues pruned to eliminate duplicates F: 22 38.355 2.192 0.701 0.909 1.000 0.810 CB 1.593 G: 16 18.352 2.127 0.304 0.836 0.867 0.733 CB 1.477 16 residues pruned to eliminate duplicates H: 20 18.973 1.974 0.585 0.446 0.947 0.684 CA 1.552 I: 22 38.517 2.189 0.804 0.895 0.952 0.714 CB 1.601 22 residues pruned to eliminate duplicates J: 8 7.205 1.804 0.047 0.572 1.000 0.714 CB 1.344 K: 22 38.656 2.209 0.680 0.903 1.000 0.810 CA 1.620 22 residues pruned to eliminate duplicates L: 21 44.177 2.207 0.765 0.934 1.000 0.850 CB 1.768 22 residues pruned to eliminate duplicates M: 20 38.166 2.336 0.512 0.934 1.000 0.842 CB 1.729 20 residues pruned to eliminate duplicates N: 12 20.433 2.048 0.663 0.883 1.000 0.909 CB 1.309 O: 19 27.155 2.095 0.604 0.867 1.000 0.667 CB 1.393 20 residues pruned to eliminate duplicates P: 21 36.890 2.251 0.775 0.906 0.950 0.650 CB 1.546 20 residues pruned to eliminate duplicates Q: 10 13.147 2.205 0.190 0.884 1.000 0.889 CB 1.206 10 residues pruned to eliminate duplicates R: 23 39.628 2.161 0.630 0.918 1.000 0.773 CA 1.691 22 residues pruned to eliminate duplicates S: 20 22.856 2.067 0.387 0.912 0.947 0.947 CB 1.367 19 residues pruned to eliminate duplicates T: 26 15.981 1.976 0.400 0.409 0.840 0.360 CB 1.512 U: 19 22.685 2.096 0.335 0.899 0.944 0.944 CB 1.446 19 residues pruned to eliminate duplicates V: 12 18.861 1.909 0.612 0.909 0.909 0.727 CA 1.443 11 residues pruned to eliminate duplicates W: 73 47.063 2.184 0.690 0.561 0.931 0.667 CB 1.522 23 residues pruned to eliminate duplicates X: 18 17.517 2.069 0.117 0.886 0.941 0.882 CB 1.409 18 residues pruned to eliminate duplicates Y: 22 26.859 1.980 0.494 0.831 1.000 0.524 CB 1.488 22 residues pruned to eliminate duplicates Z: 23 38.793 2.171 0.832 0.906 0.955 0.636 CB 1.549 23 residues pruned to eliminate duplicates Z: 44 30.860 2.090 0.530 0.522 0.930 0.488 CA 1.548 15 residues pruned to eliminate duplicates Z: 22 37.393 2.145 0.578 0.920 1.000 0.714 CB 1.697 22 residues pruned to eliminate duplicates Z: 22 19.295 2.059 0.418 0.488 0.905 0.571 CB 1.613 26 residues pruned to eliminate duplicates Z: 11 10.101 1.903 0.646 0.543 0.900 0.700 CB 1.086 Z: 22 44.965 2.225 1.008 0.917 1.000 0.619 CB 1.549 22 residues pruned to eliminate duplicates Z: 19 28.945 2.176 0.492 0.916 1.000 0.889 CA 1.484 19 residues pruned to eliminate duplicates Z: 22 44.078 2.232 0.831 0.912 1.000 0.714 CA 1.667 22 residues pruned to eliminate duplicates Z: 8 12.088 2.264 0.132 0.834 1.000 1.000 CB 1.336 8 residues pruned to eliminate duplicates Z: 19 22.090 2.142 0.406 0.857 0.889 0.833 CA 1.433 19 residues pruned to eliminate duplicates Z: 20 30.115 2.275 0.417 0.881 0.947 0.737 CB 1.638 20 residues pruned to eliminate duplicates Z: 13 12.051 2.081 0.517 0.424 0.833 0.667 CA 1.431 Z: 17 11.304 2.026 0.301 0.382 0.875 0.312 CB 1.389 Z: 14 17.156 1.928 0.608 0.812 0.923 0.462 CB 1.268 14 residues pruned to eliminate duplicates Z: 21 40.782 2.201 0.637 0.936 1.000 0.550 CA 1.763 21 residues pruned to eliminate duplicates Z: 11 18.957 2.142 0.680 0.890 1.000 0.700 CB 1.198 11 residues pruned to eliminate duplicates Z: 20 37.903 2.220 0.701 0.914 1.000 0.895 CA 1.629 20 residues pruned to eliminate duplicates Z: 14 9.089 1.927 0.438 0.432 0.923 0.385 CB 1.058 Z: 20 24.236 2.040 0.604 0.845 0.947 0.632 CB 1.334 20 residues pruned to eliminate duplicates Z: 21 12.835 1.902 0.520 0.447 0.750 0.400 CA 1.398 Z: 38 33.885 2.090 0.682 0.620 0.946 0.676 CA 1.496 38 residues pruned to eliminate duplicates Z: 19 11.324 1.864 0.593 0.353 0.833 0.556 CB 1.265 15 residues pruned to eliminate duplicates Z: 32 11.267 1.916 0.244 0.300 0.839 0.452 CB 1.265 17 residues pruned to eliminate duplicates Z: 24 13.062 2.061 0.258 0.390 0.826 0.565 CA 1.429 Z: 22 38.609 2.152 0.619 0.946 1.000 0.619 CB 1.672 22 residues pruned to eliminate duplicates Z: 25 21.917 2.055 0.800 0.432 0.875 0.583 CA 1.482 17 residues pruned to eliminate duplicates Z: 37 19.987 2.017 0.473 0.469 0.861 0.639 CA 1.343 24 residues pruned to eliminate duplicates Z: 23 34.106 2.099 0.574 0.905 0.955 0.818 CA 1.640 23 residues pruned to eliminate duplicates Z: 39 21.189 2.029 0.477 0.449 0.868 0.500 CA 1.392 39 residues pruned to eliminate duplicates Z: 10 16.001 2.087 0.412 0.805 0.889 0.444 CA 1.561 10 residues pruned to eliminate duplicates Z: 18 9.378 1.958 0.209 0.308 0.882 0.471 CB 1.348 Z: 21 20.645 2.173 0.481 0.467 1.000 0.700 CB 1.483 18 residues pruned to eliminate duplicates Z: 11 17.547 1.977 0.642 0.884 1.000 0.500 CB 1.236 11 residues pruned to eliminate duplicates Z: 9 19.581 2.149 0.576 0.870 0.875 0.500 CB 1.705 9 residues pruned to eliminate duplicates Z: 74 47.369 2.226 0.638 0.556 0.918 0.589 CB 1.569 74 residues pruned to eliminate duplicates Z: 16 23.747 2.119 0.706 0.878 0.867 0.667 CB 1.420 16 residues pruned to eliminate duplicates Z: 20 14.573 1.971 0.521 0.420 0.895 0.526 CA 1.355 17 residues pruned to eliminate duplicates Z: 13 8.249 1.817 0.516 0.395 0.833 0.333 CB 1.159 10 residues pruned to eliminate duplicates Z: 10 17.252 2.219 0.538 0.908 1.000 0.889 CB 1.197 10 residues pruned to eliminate duplicates Z: 11 11.231 1.907 0.410 0.852 1.000 0.600 CB 0.978 11 residues pruned to eliminate duplicates Z: 21 36.358 2.218 0.653 0.913 1.000 0.750 CA 1.569 21 residues pruned to eliminate duplicates Z: 9 13.155 1.847 0.610 0.893 1.000 1.000 CA 1.123 9 residues pruned to eliminate duplicates Z: 17 13.562 1.841 0.374 0.853 1.000 0.688 CA 0.991 5 residues pruned to eliminate duplicates Z: 11 10.579 1.796 0.118 0.830 1.000 0.700 CB 1.253 12 residues pruned to eliminate duplicates Z: 23 36.824 2.126 0.570 0.922 0.955 0.455 CA 1.733 23 residues pruned to eliminate duplicates Z: 13 8.697 1.875 0.476 0.520 0.833 0.583 CB 1.068 13 residues pruned to eliminate duplicates Z: 23 15.147 2.017 0.366 0.426 0.818 0.682 CB 1.547 23 residues pruned to eliminate duplicates Z: 73 47.051 2.221 0.668 0.523 0.931 0.569 CA 1.573 73 residues pruned to eliminate duplicates Z: 23 32.917 2.099 0.658 0.878 1.000 0.773 CB 1.463 23 residues pruned to eliminate duplicates Z: 29 13.234 2.034 0.167 0.304 0.893 0.536 CB 1.468 30 residues pruned to eliminate duplicates Z: 6 8.000 1.489 0.819 0.808 1.000 1.000 CA 1.010 6 residues pruned to eliminate duplicates Z: 23 32.665 2.118 0.442 0.876 1.000 0.727 CB 1.658 23 residues pruned to eliminate duplicates Z: 47 27.118 2.061 0.374 0.514 0.913 0.543 CA 1.525 46 residues pruned to eliminate duplicates Z: 20 28.054 2.062 0.633 0.907 1.000 0.684 CB 1.358 20 residues pruned to eliminate duplicates Z: 11 12.376 2.003 0.354 0.722 0.900 0.600 CB 1.312 11 residues pruned to eliminate duplicates Z: 43 18.071 1.886 0.455 0.422 0.833 0.548 CA 1.322 43 residues pruned to eliminate duplicates Z: 14 10.908 1.840 0.441 0.447 0.846 0.538 C 1.424 14 residues pruned to eliminate duplicates Z: 41 15.094 1.993 0.490 0.305 0.825 0.425 CB 1.210 Z: 23 37.841 2.112 0.720 0.906 0.955 0.727 CA 1.655 23 residues pruned to eliminate duplicates Z: 23 38.209 2.119 0.732 0.924 0.909 0.545 CB 1.714 22 residues pruned to eliminate duplicates Z: 35 17.897 2.048 0.211 0.347 0.912 0.412 CB 1.603 30 residues pruned to eliminate duplicates Z: 11 11.907 1.993 0.549 0.465 0.800 0.500 CB 1.579 11 residues pruned to eliminate duplicates Z: 18 18.627 2.038 0.496 0.589 0.941 0.647 CA 1.445 18 residues pruned to eliminate duplicates Z: 13 13.537 1.938 0.271 0.828 1.000 0.667 CB 1.195 13 residues pruned to eliminate duplicates Z: 11 14.314 1.992 0.769 0.517 0.900 0.400 CA 1.404 11 residues pruned to eliminate duplicates Z: 15 23.864 2.163 0.573 0.879 0.857 0.571 CB 1.585 15 residues pruned to eliminate duplicates Z: 15 12.929 2.059 0.160 0.473 1.000 0.500 CB 1.488 15 residues pruned to eliminate duplicates Z: 22 32.038 2.150 0.689 0.901 0.810 0.571 CB 1.697 22 residues pruned to eliminate duplicates Z: 13 13.502 1.942 0.542 0.626 0.917 0.667 CB 1.261 Z: 9 6.675 1.769 0.745 0.294 0.750 0.375 CA 1.285 9 residues pruned to eliminate duplicates Z: 21 39.698 2.079 0.922 0.915 1.000 0.450 CA 1.570 21 residues pruned to eliminate duplicates Z: 9 5.343 1.753 -0.005 0.572 0.875 0.625 CB 1.155 9 residues pruned to eliminate duplicates Z: 18 12.089 1.826 0.450 0.360 0.882 0.471 C 1.459 18 residues pruned to eliminate duplicates Z: 19 21.998 1.988 0.531 0.856 0.833 0.444 CA 1.508 19 residues pruned to eliminate duplicates Z: 65 45.791 2.225 0.786 0.577 0.906 0.547 CB 1.476 65 residues pruned to eliminate duplicates Z: 22 40.910 2.100 0.782 0.941 1.000 0.762 CB 1.656 22 residues pruned to eliminate duplicates Z: 23 16.823 1.933 0.465 0.525 0.909 0.545 CA 1.359 23 residues pruned to eliminate duplicates Z: 9 4.119 1.846 0.313 0.307 0.625 0.250 CB 1.190 Z: 14 15.919 1.970 0.883 0.359 0.923 0.538 CB 1.501 14 residues pruned to eliminate duplicates Z: 13 14.285 1.988 0.538 0.673 0.833 0.500 CB 1.379 11 residues pruned to eliminate duplicates Z: 37 15.619 2.037 0.176 0.310 0.917 0.500 CB 1.464 37 residues pruned to eliminate duplicates Z: 18 26.117 2.180 0.434 0.892 0.941 0.588 CB 1.546 18 residues pruned to eliminate duplicates Z: 9 13.574 1.845 0.501 0.817 1.000 0.750 N 1.316 9 residues pruned to eliminate duplicates Z: 36 17.890 2.003 0.463 0.452 0.857 0.543 CA 1.265 36 residues pruned to eliminate duplicates Z: 35 15.537 1.992 0.210 0.362 0.912 0.471 CB 1.407 35 residues pruned to eliminate duplicates Z: 22 44.247 2.157 0.830 0.940 1.000 0.571 CB 1.699 22 residues pruned to eliminate duplicates Z: 15 21.798 2.164 0.405 0.871 0.929 0.929 CB 1.506 15 residues pruned to eliminate duplicates Z: 13 14.007 1.934 0.399 0.766 1.000 0.667 CA 1.181 13 residues pruned to eliminate duplicates Z: 10 14.116 1.796 0.868 0.862 1.000 0.889 CA 1.030 11 residues pruned to eliminate duplicates Z: 29 23.561 2.207 0.828 0.332 0.821 0.464 CA 1.614 29 residues pruned to eliminate duplicates Z: 24 18.242 2.101 0.578 0.406 0.870 0.565 CA 1.455 24 residues pruned to eliminate duplicates Z: 15 15.496 1.964 0.688 0.637 0.857 0.357 CA 1.282 15 residues pruned to eliminate duplicates Z: 8 6.968 1.842 0.719 0.607 0.857 0.571 CB 0.877 Z: 21 16.693 2.156 0.545 0.330 0.900 0.300 CB 1.500 21 residues pruned to eliminate duplicates Z: 11 16.863 2.088 0.480 0.586 0.900 0.700 CB 1.765 11 residues pruned to eliminate duplicates Z: 52 30.798 2.026 0.385 0.626 0.961 0.745 CA 1.421 46 residues pruned to eliminate duplicates Z: 11 3.360 1.503 0.478 0.436 0.800 0.200 CB 0.639 Z: 8 8.472 1.896 0.495 0.552 0.857 0.857 CA 1.253 8 residues pruned to eliminate duplicates Z: 12 15.783 1.985 0.783 0.820 0.818 0.727 CB 1.245 12 residues pruned to eliminate duplicates Z: 33 21.332 2.003 0.584 0.514 0.844 0.531 CA 1.388 32 residues pruned to eliminate duplicates Z: 8 9.693 1.812 0.303 0.481 1.000 0.714 CB 1.581 Z: 21 16.686 2.163 0.419 0.473 0.900 0.650 CB 1.389 21 residues pruned to eliminate duplicates Z: 6 2.692 1.929 -0.165 0.419 0.600 0.400 CA 1.355 Z: 12 21.714 2.015 0.928 0.892 0.909 0.727 CA 1.331 12 residues pruned to eliminate duplicates Z: 19 29.310 2.101 0.622 0.887 1.000 0.667 CB 1.461 19 residues pruned to eliminate duplicates Z: 7 8.402 1.922 0.531 0.516 1.000 0.667 CB 1.148 8 residues pruned to eliminate duplicates Z: 10 27.623 2.182 0.852 0.890 1.000 0.556 CA 1.639 10 residues pruned to eliminate duplicates Z: 20 15.108 1.937 0.521 0.387 0.895 0.632 CA 1.482 20 residues pruned to eliminate duplicates Z: 14 10.587 1.932 0.314 0.449 1.000 0.769 CB 1.219 13 residues pruned to eliminate duplicates Z: 24 19.709 2.010 0.644 0.446 0.913 0.652 CA 1.439 24 residues pruned to eliminate duplicates Z: 24 16.432 1.970 0.716 0.404 0.826 0.609 CA 1.357 24 residues pruned to eliminate duplicates Z: 8 6.671 1.845 0.224 0.561 1.000 0.857 CA 1.052 7 residues pruned to eliminate duplicates Z: 11 6.599 1.606 0.266 0.381 1.000 0.600 CB 1.165 8 residues pruned to eliminate duplicates Z: 24 31.126 2.033 0.514 0.855 0.957 0.739 CA 1.627 24 residues pruned to eliminate duplicates Z: 49 24.499 1.993 0.665 0.400 0.854 0.479 CA 1.386 51 residues pruned to eliminate duplicates Z: 22 21.686 2.220 0.762 0.368 0.905 0.619 CA 1.541 22 residues pruned to eliminate duplicates Z: 16 23.358 2.136 0.627 0.844 0.933 0.400 CB 1.385 16 residues pruned to eliminate duplicates Z: 49 33.125 2.085 0.527 0.544 0.958 0.604 CA 1.502 53 residues pruned to eliminate duplicates Z: 55 25.211 1.995 0.450 0.508 0.870 0.537 CA 1.351 55 residues pruned to eliminate duplicates Z: 6 8.203 1.690 0.433 0.666 1.000 0.600 O 1.299 6 residues pruned to eliminate duplicates Z: 9 10.214 1.700 0.952 0.579 0.750 0.625 CA 1.345 Z: 25 17.085 1.969 0.490 0.379 0.958 0.583 CA 1.411 25 residues pruned to eliminate duplicates Z: 20 15.486 1.905 0.309 0.478 0.947 0.421 CB 1.538 20 residues pruned to eliminate duplicates Z: 35 16.754 2.010 0.295 0.351 0.882 0.529 CB 1.471 35 residues pruned to eliminate duplicates Z: 14 11.044 2.060 0.079 0.410 0.923 0.615 CA 1.640 14 residues pruned to eliminate duplicates Z: 16 22.897 1.937 0.802 0.880 1.000 0.800 CA 1.227 16 residues pruned to eliminate duplicates Z: 17 19.299 1.976 0.429 0.909 1.000 0.688 CA 1.213 17 residues pruned to eliminate duplicates Z: 31 22.224 2.197 0.657 0.309 0.900 0.533 CB 1.532 31 residues pruned to eliminate duplicates Z: 37 24.899 2.121 0.598 0.439 0.917 0.611 CA 1.422 37 residues pruned to eliminate duplicates Z: 33 20.917 2.052 0.541 0.365 0.844 0.531 CA 1.603 22 residues pruned to eliminate duplicates Z: 64 35.868 2.078 0.546 0.535 0.921 0.556 CA 1.476 64 residues pruned to eliminate duplicates Z: 20 19.719 1.996 0.357 0.872 0.947 0.632 CA 1.285 20 residues pruned to eliminate duplicates Z: 45 24.708 1.991 0.511 0.430 0.886 0.455 CB 1.502 45 residues pruned to eliminate duplicates Z: 7 11.502 2.033 0.487 0.711 1.000 1.000 CA 1.282 8 residues pruned to eliminate duplicates Z: 21 40.824 2.260 0.913 0.885 0.950 0.450 CB 1.605 21 residues pruned to eliminate duplicates Z: 7 8.424 1.815 0.782 0.620 1.000 0.833 CB 0.949 7 residues pruned to eliminate duplicates Z: 9 9.439 1.971 0.322 0.718 0.875 0.875 CB 1.202 Z: 8 12.453 1.705 1.051 0.580 0.857 0.714 CB 1.454 Z: 21 46.010 2.313 0.914 0.932 0.950 0.600 CB 1.708 21 residues pruned to eliminate duplicates Z: 20 15.428 1.896 0.386 0.498 0.895 0.474 CB 1.508 20 residues pruned to eliminate duplicates Z: 18 10.901 2.015 0.250 0.333 0.941 0.412 CB 1.339 18 residues pruned to eliminate duplicates Z: 35 13.718 2.016 0.158 0.330 0.853 0.382 CB 1.423 35 residues pruned to eliminate duplicates Z: 13 14.498 2.006 0.558 0.428 0.917 0.500 CA 1.574 13 residues pruned to eliminate duplicates Z: 9 10.718 1.877 0.226 0.769 0.875 0.500 CB 1.484 9 residues pruned to eliminate duplicates Z: 19 20.244 1.984 0.675 0.440 0.944 0.667 CA 1.617 19 residues pruned to eliminate duplicates Z: 24 17.593 1.989 0.482 0.564 0.957 0.565 CB 1.223 24 residues pruned to eliminate duplicates Z: 9 12.153 1.911 0.213 0.820 1.000 1.000 CA 1.404 9 residues pruned to eliminate duplicates Z: 8 9.705 1.927 0.081 0.730 1.000 0.714 CB 1.432 Z: 9 6.777 1.657 0.570 0.518 0.750 0.625 CB 1.207 Z: 20 20.042 1.967 0.473 0.872 1.000 0.632 CA 1.157 20 residues pruned to eliminate duplicates Z: 38 22.759 2.050 0.507 0.489 0.865 0.595 CA 1.416 39 residues pruned to eliminate duplicates Z: 26 25.534 2.084 0.650 0.546 0.960 0.640 CA 1.480 23 residues pruned to eliminate duplicates Z: 22 39.503 2.124 0.783 0.923 0.952 0.619 CA 1.678 22 residues pruned to eliminate duplicates Z: 34 13.252 1.983 0.200 0.302 0.848 0.485 CB 1.425 34 residues pruned to eliminate duplicates Z: 7 11.968 1.889 0.963 0.788 1.000 0.833 CA 1.023 7 residues pruned to eliminate duplicates Z: 16 11.790 2.107 0.269 0.461 0.867 0.533 CB 1.367 17 residues pruned to eliminate duplicates Z: 10 16.982 2.253 0.490 0.803 1.000 0.556 CB 1.293 10 residues pruned to eliminate duplicates Z: 9 11.620 1.934 0.305 0.796 1.000 0.500 CB 1.256 9 residues pruned to eliminate duplicates Z: 16 21.410 1.991 0.580 0.869 1.000 0.600 CA 1.284 16 residues pruned to eliminate duplicates Z: 18 22.342 2.143 0.226 0.889 1.000 0.882 CB 1.485 18 residues pruned to eliminate duplicates Z: 9 13.718 1.811 0.712 0.814 0.875 0.750 CA 1.360 10 residues pruned to eliminate duplicates Z: 11 14.588 2.087 0.394 0.564 0.900 0.500 CA 1.656 9 residues pruned to eliminate duplicates Z: 21 13.151 1.892 0.283 0.443 0.900 0.350 N 1.427 21 residues pruned to eliminate duplicates Z: 17 8.928 1.937 0.292 0.321 0.875 0.625 CB 1.241 17 residues pruned to eliminate duplicates Z: 7 10.700 1.943 0.251 0.774 1.000 0.833 CB 1.412 Z: 6 5.343 1.689 0.829 0.486 0.800 0.600 CB 0.981 6 1.720 1.354 0.588 0.299 0.600 0.600 CB 0.746 ? Z: 17 16.933 1.960 0.486 0.832 0.938 0.438 CA 1.164 17 residues pruned to eliminate duplicates Z: 38 20.553 2.004 0.435 0.453 0.892 0.541 CA 1.383 38 residues pruned to eliminate duplicates Z: 7 12.863 2.098 0.867 0.590 1.000 0.667 CB 1.230 7 residues pruned to eliminate duplicates Z: 62 41.391 2.194 0.542 0.589 0.918 0.672 CB 1.567 64 residues pruned to eliminate duplicates Z: 73 47.976 2.210 0.682 0.551 0.944 0.556 CB 1.531 73 residues pruned to eliminate duplicates Z: 12 15.114 1.948 0.332 0.864 0.909 0.273 CA 1.416 12 residues pruned to eliminate duplicates Z: 22 34.322 2.101 0.603 0.905 1.000 0.667 CA 1.583 22 residues pruned to eliminate duplicates Z: 21 12.384 2.054 0.399 0.304 0.850 0.500 CB 1.410 34 residues pruned to eliminate duplicates Z: 11 9.841 1.854 0.217 0.662 1.000 0.800 CA 1.188 11 residues pruned to eliminate duplicates Z: 39 20.428 2.012 0.350 0.476 0.895 0.605 CA 1.397 39 residues pruned to eliminate duplicates Z: 10 8.131 2.065 0.484 0.313 0.778 0.556 CB 1.398 10 residues pruned to eliminate duplicates Z: 22 16.308 2.078 0.411 0.385 0.905 0.619 CA 1.516 22 residues pruned to eliminate duplicates Z: 12 9.062 1.967 0.216 0.393 1.000 0.455 CB 1.279 12 residues pruned to eliminate duplicates Z: 9 3.939 1.762 0.195 0.734 0.750 0.500 CB 0.715 Z: 9 11.036 1.909 0.078 0.801 1.000 0.875 CB 1.458 9 residues pruned to eliminate duplicates Z: 26 13.985 1.814 0.458 0.409 0.920 0.520 CA 1.265 26 residues pruned to eliminate duplicates Z: 57 39.726 2.152 0.580 0.628 0.946 0.661 CB 1.463 57 residues pruned to eliminate duplicates Z: 9 3.052 1.760 0.247 0.279 0.500 0.250 CA 1.261 9 residues pruned to eliminate duplicates Z: 10 7.870 1.936 0.448 0.597 0.889 0.778 CB 0.959 10 residues pruned to eliminate duplicates Z: 6 7.491 1.742 0.678 0.678 1.000 0.600 N 0.973 Z: 15 5.890 1.860 0.010 0.420 0.714 0.500 CB 1.275 Z: 10 14.810 1.814 0.717 0.778 1.000 0.556 CA 1.240 10 residues pruned to eliminate duplicates Z: 15 33.451 2.083 0.884 0.876 0.929 0.429 CA 1.784 15 residues pruned to eliminate duplicates Z: 17 18.800 1.986 0.631 0.602 0.875 0.688 CA 1.505 17 residues pruned to eliminate duplicates Z: 7 2.939 2.033 0.158 0.463 0.500 0.500 CB 1.058 7 residues pruned to eliminate duplicates Z: 22 19.489 2.179 0.711 0.360 0.857 0.476 CA 1.547 22 residues pruned to eliminate duplicates Z: 10 7.187 2.037 0.287 0.348 0.889 0.333 CB 1.212 10 residues pruned to eliminate duplicates Z: 19 9.847 2.047 0.255 0.404 0.778 0.389 CB 1.285 19 residues pruned to eliminate duplicates Z: 23 16.417 1.845 0.787 0.346 0.909 0.500 CA 1.380 23 residues pruned to eliminate duplicates Z: 15 12.812 1.976 0.276 0.461 1.000 0.571 CA 1.414 15 residues pruned to eliminate duplicates Z: 9 8.669 1.763 0.071 0.670 1.000 0.750 CB 1.388 9 residues pruned to eliminate duplicates Z: 23 39.199 2.145 0.593 0.910 1.000 0.500 CA 1.734 23 residues pruned to eliminate duplicates Z: 11 15.572 2.027 0.190 0.892 1.000 0.800 CB 1.467 11 residues pruned to eliminate duplicates Z: 23 17.243 1.960 0.358 0.464 0.909 0.455 CB 1.576 23 residues pruned to eliminate duplicates Z: 35 38.290 2.148 0.759 0.671 0.971 0.765 CB 1.528 33 residues pruned to eliminate duplicates Z: 10 6.286 1.555 0.228 0.643 0.778 0.667 CA 1.235 10 residues pruned to eliminate duplicates Z: 20 36.323 2.301 0.871 0.895 0.842 0.316 CB 1.648 20 residues pruned to eliminate duplicates Z: 9 7.926 1.786 0.237 0.618 0.875 0.500 CB 1.296 9 residues pruned to eliminate duplicates Z: 15 8.186 1.859 0.260 0.490 0.857 0.500 CB 1.101 15 residues pruned to eliminate duplicates Z: 14 9.383 1.810 0.547 0.489 0.769 0.538 CB 1.222 15 residues pruned to eliminate duplicates Z: 22 29.057 2.195 0.476 0.861 0.952 0.762 CB 1.510 22 residues pruned to eliminate duplicates Z: 13 9.618 2.069 0.382 0.420 0.750 0.583 CB 1.408 14 residues pruned to eliminate duplicates Z: 20 31.935 2.234 0.506 0.886 1.000 0.842 CA 1.572 20 residues pruned to eliminate duplicates Z: 31 21.544 2.066 0.581 0.436 0.867 0.600 CA 1.486 31 residues pruned to eliminate duplicates Z: 36 23.653 2.047 0.458 0.585 0.914 0.714 CA 1.350 34 residues pruned to eliminate duplicates Z: 9 5.440 1.794 0.349 0.320 0.750 0.375 CB 1.292 8 residues pruned to eliminate duplicates Z: 12 8.135 1.933 0.024 0.380 0.909 0.636 CA 1.548 12 residues pruned to eliminate duplicates Z: 16 23.972 2.111 0.461 0.836 1.000 0.867 CA 1.503 16 residues pruned to eliminate duplicates Z: 16 7.255 1.729 0.153 0.405 0.867 0.600 CA 1.197 13 residues pruned to eliminate duplicates Z: 21 10.511 1.919 0.279 0.446 0.850 0.550 CB 1.190 21 residues pruned to eliminate duplicates Z: 10 9.495 1.747 0.549 0.551 0.778 0.333 CA 1.430 7 residues pruned to eliminate duplicates Z: 51 47.247 2.213 0.690 0.691 0.960 0.600 CB 1.563 51 residues pruned to eliminate duplicates Z: 7 8.924 1.946 0.164 0.716 0.833 0.667 CB 1.587 7 residues pruned to eliminate duplicates Z: 13 18.152 2.016 0.387 0.757 1.000 0.750 CA 1.492 13 residues pruned to eliminate duplicates Z: 35 18.814 1.947 0.421 0.597 0.853 0.500 CB 1.247 35 residues pruned to eliminate duplicates Z: 22 38.036 2.146 0.536 0.924 1.000 0.905 CB 1.768 22 residues pruned to eliminate duplicates Z: 7 6.255 1.812 0.160 0.453 1.000 0.667 CB 1.275 6 residues pruned to eliminate duplicates Z: 16 15.535 1.688 0.489 0.780 1.000 0.467 CB 1.246 14 residues pruned to eliminate duplicates Z: 12 7.249 1.766 0.158 0.838 0.909 0.636 CB 0.878 12 residues pruned to eliminate duplicates Z: 10 7.373 1.932 0.525 0.444 0.667 0.444 CB 1.325 Z: 8 3.253 1.640 0.222 0.351 0.714 0.429 CB 1.010 8 residues pruned to eliminate duplicates Z: 15 13.726 1.935 0.281 0.547 1.000 0.571 CB 1.412 15 residues pruned to eliminate duplicates Z: 16 37.451 2.095 1.021 0.873 0.933 0.733 CB 1.783 16 residues pruned to eliminate duplicates Z: 65 42.976 2.154 0.691 0.559 0.922 0.625 CB 1.511 65 residues pruned to eliminate duplicates Z: 17 16.095 2.022 0.519 0.445 0.938 0.375 CA 1.478 17 residues pruned to eliminate duplicates Z: 19 18.300 1.989 0.699 0.852 0.722 0.333 CB 1.307 19 residues pruned to eliminate duplicates Z: 45 29.471 2.029 0.480 0.634 0.886 0.705 CB 1.472 51 residues pruned to eliminate duplicates Z: 8 8.482 2.262 0.431 0.334 0.857 0.571 CB 1.386 8 residues pruned to eliminate duplicates Z: 15 18.643 2.165 0.681 0.508 0.857 0.571 CB 1.586 15 residues pruned to eliminate duplicates Z: 11 14.723 1.805 0.746 0.873 0.900 0.600 CA 1.195 11 residues pruned to eliminate duplicates Z: 36 16.365 2.038 0.196 0.356 0.886 0.400 CB 1.497 36 residues pruned to eliminate duplicates Z: 8 4.998 1.657 0.214 0.426 1.000 0.429 CB 1.014 8 residues pruned to eliminate duplicates Z: 6 2.693 1.798 0.266 0.481 0.600 0.400 CA 0.898 Z: 12 6.035 1.878 0.380 0.343 0.636 0.364 N 1.309 Z: 7 6.275 1.604 1.080 0.585 0.833 0.667 CA 0.849 7 residues pruned to eliminate duplicates Z: 8 2.839 1.594 0.427 0.333 0.571 0.429 N 0.992 6 residues pruned to eliminate duplicates Z: 9 6.922 1.919 -0.128 0.380 1.000 0.750 CA 1.662 9 residues pruned to eliminate duplicates Z: 6 5.099 1.815 -0.017 0.762 0.800 0.600 CB 1.266 Z: 8 6.484 1.864 0.065 0.512 1.000 0.571 CB 1.220 8 residues pruned to eliminate duplicates Z: 6 3.754 1.849 -0.370 0.834 1.000 0.800 CB 1.079 6 residues pruned to eliminate duplicates Z: 11 13.204 2.061 0.336 0.541 1.000 0.400 CB 1.456 11 residues pruned to eliminate duplicates Z: 20 12.605 2.083 0.508 0.434 0.789 0.526 CB 1.248 20 residues pruned to eliminate duplicates Z: 7 4.267 1.404 0.317 0.691 0.833 0.833 CB 0.949 Z: 12 7.731 1.651 0.635 0.518 0.818 0.455 CB 1.037 8 residues pruned to eliminate duplicates Z: 15 11.066 2.031 0.129 0.442 0.929 0.643 CB 1.475 15 residues pruned to eliminate duplicates Z: 11 7.863 1.616 0.357 0.536 0.800 0.600 CA 1.369 10 residues pruned to eliminate duplicates Z: 9 6.798 1.853 0.134 0.467 0.750 0.375 CA 1.578 8 residues pruned to eliminate duplicates Z: 12 10.406 1.942 0.342 0.623 0.818 0.636 CB 1.311 10 residues pruned to eliminate duplicates 7 1.952 1.466 0.292 0.443 0.833 0.333 CB 0.536 ? Z: 9 9.066 1.968 0.191 0.548 1.000 0.750 CB 1.305 9 residues pruned to eliminate duplicates Z: 6 5.729 1.955 -0.120 0.737 1.000 0.600 CB 1.204 9 residues pruned to eliminate duplicates Z: 27 15.442 2.001 0.364 0.392 0.846 0.577 CA 1.470 27 residues pruned to eliminate duplicates Z: 14 9.442 1.636 0.442 0.550 0.923 0.615 N 1.145 10 residues pruned to eliminate duplicates Z: 35 16.624 2.045 0.278 0.369 0.824 0.471 CB 1.524 35 residues pruned to eliminate duplicates Z: 14 14.292 2.144 0.697 0.503 0.846 0.462 CA 1.284 14 residues pruned to eliminate duplicates Z: 29 18.333 2.007 0.285 0.377 0.929 0.536 CA 1.648 29 residues pruned to eliminate duplicates Z: 15 22.785 2.153 0.441 0.871 0.929 0.786 CB 1.541 15 residues pruned to eliminate duplicates Z: 8 6.278 1.744 0.350 0.522 0.857 0.714 CA 1.151 Z: 31 23.687 2.090 0.453 0.543 0.900 0.633 CA 1.518 31 residues pruned to eliminate duplicates Z: 13 18.934 1.991 0.499 0.786 1.000 0.833 CB 1.425 13 residues pruned to eliminate duplicates Z: 12 20.900 2.006 0.683 0.861 1.000 0.818 CB 1.371 12 residues pruned to eliminate duplicates Z: 8 8.492 1.646 0.388 0.576 1.000 0.286 N 1.305 Z: 14 10.308 1.911 0.277 0.491 0.846 0.385 CB 1.397 14 residues pruned to eliminate duplicates Z: 7 12.938 2.120 0.507 0.859 0.833 0.500 CB 1.460 7 residues pruned to eliminate duplicates Z: 6 6.156 1.765 0.426 0.479 0.800 0.600 N 1.397 5 residues pruned to eliminate duplicates Z: 6 5.180 1.787 0.205 0.483 0.800 0.600 CB 1.368 Z: 18 7.762 1.754 0.338 0.376 0.706 0.353 CB 1.297 15 residues pruned to eliminate duplicates Z: 6 11.323 1.846 0.460 0.772 1.000 0.600 CA 1.476 9 residues pruned to eliminate duplicates Z: 6 7.232 1.685 0.211 0.653 1.000 0.800 N 1.374 6 residues pruned to eliminate duplicates Z: 20 46.560 2.185 1.201 0.931 0.947 0.632 CA 1.639 20 residues pruned to eliminate duplicates Z: 9 8.142 1.823 0.241 0.666 1.000 0.750 CB 1.091 9 residues pruned to eliminate duplicates Z: 19 17.470 1.968 0.268 0.847 1.000 0.944 CB 1.224 19 residues pruned to eliminate duplicates Z: 6 6.020 1.852 0.635 0.460 0.800 0.800 CA 1.157 6 residues pruned to eliminate duplicates Z: 12 8.831 1.883 0.288 0.405 0.909 0.727 CB 1.335 12 residues pruned to eliminate duplicates Z: 9 19.027 2.121 0.502 0.630 1.000 0.750 CB 1.868 10 residues pruned to eliminate duplicates Z: 22 10.599 2.083 0.360 0.402 0.762 0.476 CB 1.188 22 residues pruned to eliminate duplicates Z: 39 21.284 2.021 0.390 0.472 0.895 0.632 CA 1.413 39 residues pruned to eliminate duplicates Z: 8 13.566 2.117 0.684 0.842 1.000 0.571 CB 1.072 8 residues pruned to eliminate duplicates Z: 22 18.948 2.064 0.299 0.628 0.952 0.619 CB 1.436 22 residues pruned to eliminate duplicates 6 1.184 1.367 0.074 0.375 0.800 0.400 CB 0.516 ? Z: 11 8.108 1.892 0.317 0.390 0.900 0.400 CB 1.284 9 residues pruned to eliminate duplicates Z: 6 4.797 1.575 0.694 0.353 1.000 0.800 N 0.943 6 residues pruned to eliminate duplicates Z: 7 7.807 1.870 0.265 0.697 1.000 0.833 CA 1.125 Z: 36 22.530 2.043 0.562 0.460 0.886 0.486 CA 1.405 35 residues pruned to eliminate duplicates Z: 20 12.147 2.019 0.578 0.249 0.842 0.474 CA 1.387 20 residues pruned to eliminate duplicates 6 1.822 1.742 0.708 0.234 0.600 0.200 CB 0.622 ? Z: 16 21.488 1.977 0.663 0.864 0.933 0.533 CB 1.326 16 residues pruned to eliminate duplicates 6 1.744 1.543 0.045 0.296 0.800 0.400 CB 0.760 ? Z: 18 24.711 2.175 0.472 0.869 1.000 0.882 CB 1.368 18 residues pruned to eliminate duplicates Z: 13 11.560 1.944 0.573 0.610 0.917 0.500 CB 1.073 13 residues pruned to eliminate duplicates Z: 8 3.793 1.250 0.701 0.370 0.857 0.429 O 0.904 Z: 23 12.884 1.950 0.468 0.468 0.818 0.545 CA 1.212 23 residues pruned to eliminate duplicates Z: 6 4.051 1.806 -0.068 0.604 0.800 0.600 C 1.219 Z: 11 9.009 2.042 0.439 0.406 0.800 0.700 CB 1.337 11 residues pruned to eliminate duplicates Z: 28 30.839 2.176 0.563 0.668 0.963 0.556 CA 1.551 28 residues pruned to eliminate duplicates Z: 29 20.304 2.080 0.681 0.406 0.893 0.429 CA 1.356 29 residues pruned to eliminate duplicates Z: 11 7.931 1.806 0.073 0.585 1.000 0.800 CB 1.193 10 residues pruned to eliminate duplicates Z: 7 3.829 1.502 0.589 0.395 0.667 0.500 N 1.098 Z: 22 42.683 2.162 0.991 0.902 1.000 0.381 CB 1.543 22 residues pruned to eliminate duplicates Z: 6 4.181 1.967 -0.146 0.636 1.000 0.800 CB 0.980 6 residues pruned to eliminate duplicates Z: 35 16.150 2.045 0.152 0.335 0.912 0.559 CB 1.545 35 residues pruned to eliminate duplicates Z: 9 6.975 1.816 0.314 0.570 0.750 0.625 CB 1.287 9 residues pruned to eliminate duplicates Z: 8 5.064 1.398 0.168 0.512 1.000 0.429 N 1.159 Z: 9 8.756 1.863 0.256 0.627 0.875 0.625 CB 1.342 9 residues pruned to eliminate duplicates Z: 20 17.354 1.975 0.434 0.905 0.895 0.632 CA 1.118 20 residues pruned to eliminate duplicates Z: 28 14.629 1.983 0.301 0.433 0.889 0.481 CA 1.316 28 residues pruned to eliminate duplicates Z: 65 42.331 2.156 0.699 0.559 0.906 0.578 CB 1.505 65 residues pruned to eliminate duplicates Z: 17 9.956 1.781 0.279 0.512 0.812 0.562 CA 1.329 17 residues pruned to eliminate duplicates Z: 24 19.234 2.048 0.586 0.369 0.913 0.565 CA 1.557 24 residues pruned to eliminate duplicates Z: 9 7.881 1.804 0.643 0.696 0.875 0.625 N 0.898 11 residues pruned to eliminate duplicates Z: 13 17.999 1.969 0.569 0.756 1.000 0.667 CA 1.339 13 residues pruned to eliminate duplicates Z: 43 32.632 2.108 0.619 0.584 0.905 0.690 CA 1.505 43 residues pruned to eliminate duplicates Z: 11 3.929 1.526 0.242 0.369 0.700 0.300 CB 1.078 9 residues pruned to eliminate duplicates Z: 9 12.245 1.962 0.540 0.643 1.000 0.625 CA 1.254 11 residues pruned to eliminate duplicates Z: 6 10.300 1.948 0.793 0.760 1.000 1.000 CB 1.047 7 residues pruned to eliminate duplicates Z: 7 5.580 1.912 0.102 0.716 0.833 0.333 CA 1.066 7 residues pruned to eliminate duplicates Z: 26 22.443 2.080 0.772 0.471 0.880 0.560 CA 1.426 26 residues pruned to eliminate duplicates Z: 6 6.175 1.708 0.154 0.660 1.000 0.600 CB 1.208 6 residues pruned to eliminate duplicates Z: 18 7.651 1.567 0.329 0.393 0.765 0.471 N 1.304 Z: 12 14.120 1.795 0.577 0.847 1.000 0.727 CB 1.116 12 residues pruned to eliminate duplicates Z: 8 4.146 1.723 0.036 0.610 0.857 0.857 CB 0.922 Z: 13 11.282 1.841 0.419 0.477 0.833 0.750 CB 1.532 13 residues pruned to eliminate duplicates Z: 11 12.264 2.153 0.106 0.875 1.000 0.900 CB 1.185 11 residues pruned to eliminate duplicates Z: 10 11.839 1.922 0.675 0.516 0.889 0.556 CA 1.358 9 residues pruned to eliminate duplicates Z: 7 2.007 1.331 0.390 0.241 0.667 0.500 CA 0.896 7 1.737 1.510 0.440 0.421 0.667 0.667 CB 0.531 ? Z: 7 5.533 1.358 0.401 0.577 1.000 0.500 N 1.103 Z: 21 37.822 2.191 0.676 0.908 0.950 0.650 CB 1.722 21 residues pruned to eliminate duplicates Z: 66 49.427 2.176 0.710 0.620 0.923 0.523 CB 1.594 68 residues pruned to eliminate duplicates Z: 7 4.385 1.518 0.331 0.327 0.833 0.667 O 1.285 Z: 6 8.795 2.086 0.071 0.695 1.000 0.600 CB 1.472 6 residues pruned to eliminate duplicates Z: 12 5.915 1.546 0.368 0.474 0.909 0.727 CB 0.953 9 residues pruned to eliminate duplicates Z: 17 13.089 1.927 0.395 0.515 0.875 0.562 CB 1.371 17 residues pruned to eliminate duplicates Z: 23 17.763 2.021 0.608 0.389 0.909 0.545 CA 1.443 23 residues pruned to eliminate duplicates Z: 17 10.264 1.761 0.315 0.496 0.938 0.625 CB 1.186 14 residues pruned to eliminate duplicates Z: 8 3.193 1.472 0.415 0.517 0.571 0.571 CA 0.997 Z: 27 14.452 1.869 0.624 0.343 0.885 0.577 CB 1.252 27 residues pruned to eliminate duplicates Z: 14 11.847 1.760 0.684 0.516 0.923 0.769 CA 1.183 13 residues pruned to eliminate duplicates Z: 17 22.477 2.088 0.590 0.878 0.938 0.562 CB 1.310 17 residues pruned to eliminate duplicates Z: 9 5.604 1.510 0.278 0.600 0.875 0.625 CA 1.066 Z: 14 8.104 1.851 0.417 0.316 0.846 0.538 CB 1.241 14 residues pruned to eliminate duplicates Z: 7 4.926 1.563 0.443 0.470 0.833 0.500 CB 1.103 Z: 9 4.298 1.542 0.657 0.295 0.875 0.625 CB 0.855 Z: 21 7.171 1.830 0.354 0.319 0.800 0.400 CB 0.989 21 residues pruned to eliminate duplicates Z: 7 6.121 1.591 0.215 0.747 0.833 0.667 CB 1.244 Z: 9 8.472 1.928 0.446 0.436 0.875 0.500 CA 1.312 9 residues pruned to eliminate duplicates Z: 16 7.975 1.568 0.694 0.317 0.867 0.467 CA 1.095 16 residues pruned to eliminate duplicates Z: 33 23.822 2.003 0.572 0.517 0.906 0.531 CB 1.452 33 residues pruned to eliminate duplicates Z: 8 6.828 1.845 0.350 0.756 1.000 0.571 CB 0.825 8 residues pruned to eliminate duplicates Z: 12 9.670 1.967 0.755 0.308 0.818 0.455 CA 1.278 12 residues pruned to eliminate duplicates Z: 11 6.987 1.863 0.153 0.587 0.900 0.600 CB 1.051 11 residues pruned to eliminate duplicates Z: 10 16.186 1.939 0.879 0.868 0.889 0.556 CA 1.218 10 residues pruned to eliminate duplicates Z: 28 15.095 1.903 0.279 0.495 0.889 0.519 CB 1.350 28 residues pruned to eliminate duplicates 6 1.349 1.440 0.273 0.486 0.600 0.600 CB 0.556 ? Z: 17 21.195 2.082 0.649 0.611 0.938 0.688 CA 1.482 17 residues pruned to eliminate duplicates Z: 15 17.069 1.865 0.694 0.557 0.929 0.643 CB 1.472 15 residues pruned to eliminate duplicates Z: 8 5.620 1.536 0.279 0.583 0.857 0.429 CA 1.165 9 residues pruned to eliminate duplicates Z: 45 33.713 2.081 0.589 0.592 0.909 0.614 CA 1.548 45 residues pruned to eliminate duplicates Z: 12 4.946 1.676 0.342 0.338 0.818 0.727 CB 0.966 12 residues pruned to eliminate duplicates 7 1.692 1.584 0.236 0.400 0.500 0.500 CB 0.784 ? Z: 14 19.036 2.143 0.482 0.845 0.923 0.692 CB 1.338 14 residues pruned to eliminate duplicates Z: 7 2.957 1.543 0.020 0.402 0.833 0.500 CB 1.020 Z: 66 44.095 2.172 0.648 0.561 0.954 0.400 CB 1.510 66 residues pruned to eliminate duplicates Z: 25 22.671 2.079 0.214 0.696 1.000 0.667 CB 1.533 25 residues pruned to eliminate duplicates Z: 26 18.091 2.053 0.158 0.600 0.920 0.640 CB 1.503 26 residues pruned to eliminate duplicates 7 1.954 1.285 0.484 0.244 0.833 0.500 N 0.675 ? Z: 7 2.948 1.410 0.559 0.406 0.667 0.667 N 0.906 Z: 8 6.549 1.777 0.296 0.831 1.000 0.571 CB 0.807 8 residues pruned to eliminate duplicates Z: 14 11.802 1.866 0.520 0.542 1.000 0.769 CB 1.108 14 residues pruned to eliminate duplicates Z: 14 8.414 1.696 0.264 0.656 0.923 0.615 CA 1.020 14 residues pruned to eliminate duplicates Z: 6 6.523 1.724 0.310 0.598 1.000 0.800 CA 1.176 6 residues pruned to eliminate duplicates Z: 6 3.026 1.591 0.577 0.141 0.800 0.400 O 1.051 6 residues pruned to eliminate duplicates Z: 7 4.720 1.529 0.656 0.397 1.000 0.333 CB 0.849 Z: 6 5.192 1.513 0.947 0.508 0.600 0.400 C 1.303 4 residues pruned to eliminate duplicates Z: 7 3.857 1.672 -0.070 0.537 0.833 0.500 CB 1.171 7 residues pruned to eliminate duplicates Z: 9 3.346 1.704 0.056 0.336 0.750 0.375 CB 1.049 9 residues pruned to eliminate duplicates Z: 7 2.768 1.133 0.755 0.396 0.833 0.500 N 0.761 Z: 21 18.225 2.152 0.566 0.435 0.900 0.600 CA 1.437 24 residues pruned to eliminate duplicates Z: 7 4.375 1.317 0.598 0.711 0.833 0.667 CB 0.841 Z: 12 8.773 1.938 0.261 0.503 0.909 0.636 CB 1.186 12 residues pruned to eliminate duplicates Z: 10 2.556 1.187 0.638 0.141 0.889 0.333 N 0.769 Z: 22 30.463 1.930 0.905 0.869 0.810 0.286 CB 1.632 22 residues pruned to eliminate duplicates Z: 10 6.616 1.743 0.510 0.529 0.889 0.667 CB 0.916 9 residues pruned to eliminate duplicates Z: 6 2.222 1.403 -0.358 0.550 1.000 0.600 CB 1.050 Z: 15 8.769 1.871 0.660 0.353 0.857 0.429 CB 1.032 15 residues pruned to eliminate duplicates Z: 35 21.102 2.053 0.494 0.500 0.912 0.676 CA 1.294 35 residues pruned to eliminate duplicates Z: 9 2.221 1.556 0.397 0.245 0.500 0.375 CB 0.970 9 residues pruned to eliminate duplicates Z: 21 37.682 2.216 0.890 0.885 0.900 0.400 CB 1.614 21 residues pruned to eliminate duplicates Z: 13 5.690 1.754 0.180 0.433 0.750 0.583 CB 1.135 10 residues pruned to eliminate duplicates Z: 9 3.769 1.779 0.272 0.304 0.750 0.625 CB 0.976 Z: 25 19.532 1.999 0.482 0.480 1.000 0.583 CA 1.373 26 residues pruned to eliminate duplicates Z: 54 47.063 2.218 0.713 0.633 0.943 0.547 CA 1.592 54 residues pruned to eliminate duplicates Z: 8 3.676 1.389 0.302 0.379 0.857 0.571 C 1.021 Z: 7 4.684 1.437 0.644 0.463 0.833 0.667 CA 1.008 Z: 12 8.983 2.013 0.259 0.421 0.909 0.727 CA 1.277 12 residues pruned to eliminate duplicates Z: 12 4.853 1.402 0.239 0.421 0.727 0.545 CB 1.258 Z: 43 24.278 2.059 0.627 0.427 0.833 0.500 CA 1.447 43 residues pruned to eliminate duplicates Z: 7 2.813 1.593 0.199 0.384 0.667 0.667 CB 1.020 Z: 9 4.423 1.601 0.497 0.524 0.875 0.625 CB 0.728 Z: 37 21.515 2.051 0.519 0.403 0.889 0.472 CA 1.434 37 residues pruned to eliminate duplicates Z: 7 3.886 1.534 0.681 0.301 0.833 0.500 CB 0.922 Z: 12 6.193 1.884 0.334 0.319 0.727 0.545 CA 1.248 12 residues pruned to eliminate duplicates Z: 9 8.674 1.894 0.248 0.478 0.875 0.625 CA 1.516 9 residues pruned to eliminate duplicates Z: 10 10.951 1.917 0.565 0.850 0.889 0.444 CB 1.014 10 residues pruned to eliminate duplicates Z: 17 11.235 1.908 0.394 0.380 0.875 0.438 CB 1.371 17 residues pruned to eliminate duplicates Z: 15 18.235 2.117 0.384 0.588 0.929 0.500 CA 1.646 17 residues pruned to eliminate duplicates Z: 13 8.958 2.009 0.345 0.353 0.833 0.583 CB 1.347 13 residues pruned to eliminate duplicates Z: 34 16.602 2.076 0.453 0.373 0.758 0.576 CA 1.449 34 residues pruned to eliminate duplicates Z: 56 37.105 2.154 0.475 0.591 0.964 0.600 CB 1.498 56 residues pruned to eliminate duplicates Z: 22 33.981 2.062 0.614 0.849 1.000 0.619 CB 1.652 22 residues pruned to eliminate duplicates Z: 22 30.937 2.008 0.381 0.903 1.000 0.952 CB 1.735 22 residues pruned to eliminate duplicates Z: 18 5.976 1.702 0.479 0.292 0.706 0.412 CB 1.030 18 residues pruned to eliminate duplicates Z: 11 13.625 1.949 0.299 0.884 1.000 0.600 CB 1.229 11 residues pruned to eliminate duplicates Z: 8 2.886 1.457 0.198 0.290 0.857 0.429 CB 0.924 Z: 10 4.571 1.759 0.127 0.486 0.778 0.556 CB 1.002 10 residues pruned to eliminate duplicates Z: 9 13.588 2.198 0.663 0.416 1.000 0.500 CA 1.434 9 residues pruned to eliminate duplicates Z: 22 20.887 2.171 0.726 0.391 0.905 0.619 CA 1.509 22 residues pruned to eliminate duplicates Z: 7 3.119 1.251 0.380 0.548 0.833 0.500 CA 0.845 Z: 10 9.956 1.862 0.163 0.711 1.000 0.889 CA 1.266 11 residues pruned to eliminate duplicates 6 1.710 1.156 0.258 0.517 1.000 0.400 C 0.517 ? Z: 7 9.074 2.180 0.212 0.492 0.833 0.500 CA 1.696 Z: 8 3.466 1.643 -0.071 0.374 0.714 0.286 CA 1.374 Z: 6 5.584 1.773 -0.152 0.770 1.000 0.600 CA 1.307 6 residues pruned to eliminate duplicates Z: 9 6.007 1.592 0.483 0.422 0.750 0.500 CA 1.301 9 residues pruned to eliminate duplicates Z: 6 3.266 1.361 0.293 0.610 0.800 0.600 CB 0.935 Z: 9 3.660 1.376 0.448 0.345 0.750 0.375 CB 1.025 Z: 25 12.758 2.007 0.152 0.360 0.875 0.375 CB 1.497 25 residues pruned to eliminate duplicates Z: 6 2.774 1.563 -0.116 0.485 0.800 0.800 N 1.139 Z: 8 10.319 1.898 0.394 0.803 1.000 0.857 CB 1.131 13 residues pruned to eliminate duplicates Z: 12 5.235 1.473 0.357 0.453 0.818 0.545 CA 1.013 12 residues pruned to eliminate duplicates 6 1.376 0.904 0.465 0.495 1.000 0.600 C 0.467 ? Z: 8 3.102 1.390 0.190 0.246 0.857 0.429 N 1.109 Z: 8 7.538 2.010 0.339 0.542 0.714 0.571 CA 1.423 8 residues pruned to eliminate duplicates Z: 7 3.936 1.659 0.357 0.478 0.667 0.333 CB 1.094 7 residues pruned to eliminate duplicates Z: 7 2.305 1.541 0.036 0.412 0.833 0.500 CB 0.775 Z: 60 40.073 2.089 0.670 0.579 0.932 0.695 CA 1.487 60 residues pruned to eliminate duplicates Z: 11 2.885 1.253 0.183 0.443 0.800 0.400 CB 0.816 Z: 21 21.275 2.137 0.482 0.624 0.950 0.800 CA 1.406 21 residues pruned to eliminate duplicates Z: 8 6.318 1.630 0.024 0.649 1.000 0.714 CB 1.244 8 residues pruned to eliminate duplicates Z: 9 5.873 1.786 0.288 0.586 0.875 0.750 CB 0.950 8 residues pruned to eliminate duplicates Z: 13 8.120 1.878 0.276 0.507 0.917 0.583 CB 1.059 13 residues pruned to eliminate duplicates Z: 10 4.547 1.563 0.172 0.444 0.889 0.556 CB 0.986 8 residues pruned to eliminate duplicates Z: 8 2.081 1.322 0.437 0.349 0.714 0.286 N 0.682 7 residues pruned to eliminate duplicates Z: 19 34.293 2.233 0.818 0.906 0.944 0.722 CB 1.500 19 residues pruned to eliminate duplicates Z: 8 9.795 1.866 0.591 0.566 0.857 0.429 CA 1.365 7 residues pruned to eliminate duplicates Z: 17 23.084 2.035 0.439 0.834 0.938 0.500 CB 1.576 17 residues pruned to eliminate duplicates Z: 8 5.413 1.724 0.403 0.417 0.714 0.714 CB 1.291 8 residues pruned to eliminate duplicates Z: 22 22.587 2.034 0.639 0.655 0.905 0.714 CA 1.414 31 residues pruned to eliminate duplicates Z: 12 6.737 1.792 0.044 0.502 0.909 0.455 CB 1.192 12 residues pruned to eliminate duplicates 6 1.377 1.185 -0.056 0.424 0.800 0.400 CB 0.745 ? Z: 12 12.975 2.083 0.361 0.546 0.818 0.636 N 1.612 12 residues pruned to eliminate duplicates Z: 14 15.307 2.040 0.353 0.539 0.923 0.769 CA 1.604 14 residues pruned to eliminate duplicates Z: 7 7.442 1.795 0.535 0.558 1.000 0.500 CA 1.042 Z: 23 17.625 1.987 0.357 0.570 1.000 0.591 CB 1.302 23 residues pruned to eliminate duplicates Z: 10 4.200 1.678 0.171 0.365 0.778 0.556 CB 1.059 9 residues pruned to eliminate duplicates Z: 7 4.049 1.623 0.253 0.603 1.000 0.833 CB 0.737 Z: 12 10.573 1.846 0.493 0.561 0.909 0.636 CB 1.200 12 residues pruned to eliminate duplicates Z: 7 3.330 1.122 0.844 0.729 0.833 0.167 C 0.641 7 residues pruned to eliminate duplicates Z: 8 3.285 1.549 0.338 0.411 0.857 0.429 CB 0.767 Z: 9 5.991 1.616 0.445 0.403 0.875 0.500 CA 1.148 7 residues pruned to eliminate duplicates Z: 14 8.613 1.618 0.294 0.382 0.923 0.538 CA 1.401 8 residues pruned to eliminate duplicates Z: 7 6.593 1.948 0.386 0.701 1.000 0.500 CB 0.830 7 residues pruned to eliminate duplicates Z: 11 8.992 1.991 0.184 0.395 0.900 0.500 CB 1.498 11 residues pruned to eliminate duplicates Z: 6 6.069 1.442 0.605 0.637 1.000 0.400 CB 1.032 Z: 17 15.702 2.020 0.379 0.496 0.938 0.562 CA 1.509 17 residues pruned to eliminate duplicates Z: 10 5.393 1.726 0.275 0.562 1.000 0.667 CB 0.769 8 residues pruned to eliminate duplicates Z: 7 3.619 1.507 0.306 0.556 0.833 0.500 CB 0.854 7 residues pruned to eliminate duplicates 7 0.837 1.311 0.476 0.236 0.500 0.333 CB 0.480 ? Z: 100 50.251 2.171 0.514 0.574 0.929 0.646 CB 1.540 100 residues pruned to eliminate duplicates Z: 16 8.151 1.949 0.220 0.450 0.800 0.400 CB 1.165 16 residues pruned to eliminate duplicates Z: 8 4.958 1.820 -0.069 0.431 0.857 0.286 CB 1.385 Z: 10 6.471 1.579 0.202 0.488 0.889 0.556 CA 1.294 10 residues pruned to eliminate duplicates Z: 17 15.541 2.070 0.312 0.594 0.938 0.625 CB 1.394 17 residues pruned to eliminate duplicates Z: 6 2.073 1.185 0.625 0.299 0.600 0.400 C 1.005 Z: 6 2.462 1.407 0.698 0.457 1.000 0.800 CB 0.481 Z: 21 34.227 2.201 0.631 0.900 1.000 0.700 CB 1.522 21 residues pruned to eliminate duplicates Z: 11 3.884 1.728 0.318 0.226 0.800 0.500 CA 0.928 7 1.726 1.191 0.088 0.259 0.833 0.333 CA 0.859 ? Z: 10 3.473 1.594 0.368 0.412 0.778 0.667 CA 0.748 Z: 8 6.638 1.480 0.542 0.504 1.000 0.714 CB 1.095 Z: 7 9.796 1.805 1.062 0.566 0.833 0.833 CB 1.209 7 residues pruned to eliminate duplicates Z: 6 2.775 1.382 -0.168 0.565 1.000 0.600 CA 1.013 Z: 9 6.755 1.836 -0.027 0.783 0.875 0.875 CB 1.191 9 residues pruned to eliminate duplicates Z: 17 9.260 1.959 0.553 0.304 0.750 0.312 CB 1.262 17 residues pruned to eliminate duplicates Z: 6 3.866 1.681 0.366 0.431 0.800 0.600 CB 1.011 Z: 9 6.998 1.776 0.515 0.385 0.750 0.500 N 1.385 9 residues pruned to eliminate duplicates Z: 16 11.846 1.756 0.608 0.470 0.933 0.800 CB 1.196 16 residues pruned to eliminate duplicates Z: 23 29.743 2.088 0.478 0.824 0.955 0.773 CA 1.625 23 residues pruned to eliminate duplicates Z: 6 2.311 1.372 0.416 0.300 0.800 0.400 CB 0.832 Z: 16 13.210 1.956 0.231 0.419 1.000 0.600 CA 1.542 16 residues pruned to eliminate duplicates Z: 6 2.761 1.338 0.342 0.609 0.800 0.600 CB 0.775 7 1.733 1.173 0.210 0.174 0.833 0.667 N 0.888 ? Z: 9 2.624 1.576 0.272 0.464 0.750 0.625 CB 0.640 Z: 6 2.366 1.399 0.469 0.405 0.800 0.400 CB 0.712 Using tripeptides from previous cycle as seeds Z: 9 6.496 1.682 0.898 0.513 0.750 0.750 CB 0.947 9 residues pruned to eliminate duplicates 6 1.740 1.505 0.697 0.224 0.400 0.200 C 1.052 ? Z: 6 3.691 1.599 0.303 0.295 0.800 0.600 CA 1.246 6 residues pruned to eliminate duplicates Z: 9 6.899 1.875 0.376 0.672 0.875 0.750 CB 0.922 8 residues pruned to eliminate duplicates Z: 8 6.217 1.977 -0.004 0.660 1.000 0.571 CB 1.029 8 residues pruned to eliminate duplicates Z: 8 7.637 1.979 0.194 0.707 1.000 0.857 CB 1.012 8 residues pruned to eliminate duplicates Z: 11 7.231 1.768 0.274 0.488 0.800 0.400 CA 1.284 10 residues pruned to eliminate duplicates Z: 6 2.189 1.479 0.350 0.383 0.800 0.400 CA 0.694 6 residues pruned to eliminate duplicates Z: 14 9.536 2.071 0.208 0.396 0.846 0.538 CA 1.395 14 residues pruned to eliminate duplicates Z: 12 10.903 2.098 0.513 0.396 0.818 0.455 CB 1.413 12 residues pruned to eliminate duplicates Z: 12 12.483 2.006 0.607 0.481 0.909 0.545 CB 1.309 12 residues pruned to eliminate duplicates Z: 17 9.752 1.857 0.448 0.395 0.812 0.562 CB 1.248 17 residues pruned to eliminate duplicates Z: 6 6.253 1.744 0.570 0.341 1.000 0.600 CA 1.214 6 residues pruned to eliminate duplicates Z: 7 6.248 1.781 0.776 0.399 0.667 0.333 CA 1.345 7 residues pruned to eliminate duplicates Z: 20 12.949 1.981 0.435 0.327 0.895 0.526 CB 1.411 20 residues pruned to eliminate duplicates Z: 38 22.976 2.064 0.518 0.471 0.838 0.568 CA 1.481 38 residues pruned to eliminate duplicates Z: 38 21.983 2.045 0.430 0.474 0.892 0.595 CA 1.422 38 residues pruned to eliminate duplicates Z: 18 10.576 2.038 0.380 0.326 0.824 0.471 CA 1.342 18 residues pruned to eliminate duplicates Z: 22 12.430 1.933 0.315 0.375 0.857 0.524 CA 1.422 22 residues pruned to eliminate duplicates Z: 36 19.857 2.049 0.544 0.459 0.800 0.543 CA 1.383 36 residues pruned to eliminate duplicates Z: 36 21.655 2.023 0.375 0.436 0.943 0.514 CA 1.492 36 residues pruned to eliminate duplicates Z: 31 9.901 1.738 0.349 0.280 0.767 0.367 CA 1.289 18 residues pruned to eliminate duplicates Z: 8 6.617 1.753 0.519 0.416 0.857 0.571 CA 1.196 8 residues pruned to eliminate duplicates Z: 23 13.076 2.004 0.433 0.359 0.818 0.455 CA 1.382 36 residues pruned to eliminate duplicates Z: 7 7.419 1.845 0.361 0.649 0.833 0.667 CA 1.260 7 residues pruned to eliminate duplicates Z: 31 17.071 1.999 0.439 0.349 0.867 0.467 CA 1.472 31 residues pruned to eliminate duplicates Z: 26 14.875 2.045 0.354 0.418 0.920 0.600 CA 1.271 26 residues pruned to eliminate duplicates Z: 39 22.092 2.051 0.539 0.452 0.895 0.500 CA 1.333 39 residues pruned to eliminate duplicates Z: 22 17.352 2.060 0.413 0.563 0.810 0.476 CA 1.512 22 residues pruned to eliminate duplicates Z: 38 19.235 2.046 0.350 0.467 0.865 0.568 CA 1.368 38 residues pruned to eliminate duplicates Z: 28 18.058 1.906 0.499 0.522 0.852 0.407 CB 1.397 23 residues pruned to eliminate duplicates Z: 7 2.448 1.387 1.153 0.418 0.667 0.333 CB 0.547 7 residues pruned to eliminate duplicates Z: 38 20.367 2.040 0.417 0.452 0.865 0.514 CA 1.408 38 residues pruned to eliminate duplicates Z: 38 24.541 2.045 0.532 0.499 0.919 0.676 CA 1.403 42 residues pruned to eliminate duplicates Z: 6 2.974 1.582 0.543 0.302 0.800 0.600 CA 0.850 6 residues pruned to eliminate duplicates Z: 7 13.486 1.937 1.167 0.752 0.833 0.667 CB 1.257 11 residues pruned to eliminate duplicates Z: 6 3.431 1.834 -0.061 0.528 1.000 0.600 CB 0.867 6 residues pruned to eliminate duplicates Z: 11 7.537 1.722 0.329 0.433 1.000 0.600 CB 1.116 11 residues pruned to eliminate duplicates Z: 8 6.762 1.830 0.345 0.527 0.857 0.571 CB 1.179 8 residues pruned to eliminate duplicates Z: 9 4.819 1.812 0.065 0.458 1.000 0.625 CB 0.922 9 residues pruned to eliminate duplicates Z: 11 14.162 1.785 0.777 0.631 1.000 0.500 CB 1.249 9 residues pruned to eliminate duplicates Z: 9 7.446 1.593 0.516 0.592 0.875 0.250 CA 1.141 9 residues pruned to eliminate duplicates Z: 10 12.838 1.907 0.873 0.513 0.889 0.444 CB 1.331 10 residues pruned to eliminate duplicates Z: 7 5.644 1.744 0.763 0.525 0.833 0.167 CB 0.878 7 residues pruned to eliminate duplicates Z: 9 12.134 1.829 0.976 0.560 1.000 0.625 CA 1.120 10 residues pruned to eliminate duplicates Z: 10 10.162 1.585 0.875 0.583 0.889 0.444 CA 1.184 10 residues pruned to eliminate duplicates Z: 9 12.762 1.904 0.750 0.627 0.875 0.625 CA 1.373 9 residues pruned to eliminate duplicates Z: 12 6.897 1.697 0.619 0.309 0.818 0.636 CA 1.143 12 residues pruned to eliminate duplicates Z: 16 6.390 1.821 0.508 0.367 0.733 0.133 CB 0.945 14 residues pruned to eliminate duplicates Z: 7 6.262 1.700 0.959 0.506 1.000 0.667 CB 0.763 7 residues pruned to eliminate duplicates Z: 9 6.068 1.971 0.470 0.362 0.750 0.375 CB 1.145 9 residues pruned to eliminate duplicates Z: 39 14.718 2.021 0.478 0.367 0.763 0.395 CB 1.208 39 residues pruned to eliminate duplicates Z: 37 13.136 2.024 0.396 0.316 0.750 0.417 CB 1.267 37 residues pruned to eliminate duplicates Z: 43 15.631 2.064 0.485 0.356 0.714 0.357 CB 1.287 44 residues pruned to eliminate duplicates Z: 7 6.698 1.619 1.018 0.526 1.000 0.667 CA 0.816 7 residues pruned to eliminate duplicates Z: 37 17.359 2.076 0.502 0.359 0.778 0.389 CB 1.389 40 residues pruned to eliminate duplicates Z: 6 2.111 1.408 0.330 0.622 0.800 0.600 CB 0.562 6 residues pruned to eliminate duplicates Z: 22 8.749 2.036 0.266 0.278 0.714 0.286 CB 1.332 22 residues pruned to eliminate duplicates Z: 8 6.435 2.055 0.329 0.451 0.714 0.571 CB 1.310 8 residues pruned to eliminate duplicates Z: 21 12.106 1.971 0.374 0.363 0.800 0.350 CA 1.447 20 residues pruned to eliminate duplicates Z: 6 6.016 1.532 0.524 0.464 1.000 0.800 CB 1.195 Z: 18 10.402 2.069 0.400 0.362 0.765 0.412 CB 1.320 18 residues pruned to eliminate duplicates Z: 17 10.834 2.086 0.297 0.377 0.812 0.375 CB 1.405 17 residues pruned to eliminate duplicates Z: 16 12.042 2.186 0.306 0.410 0.800 0.400 CB 1.497 16 residues pruned to eliminate duplicates Z: 18 9.371 1.851 0.361 0.263 0.941 0.353 CB 1.255 20 residues pruned to eliminate duplicates Z: 6 3.499 1.754 0.699 0.322 0.800 0.000 CA 0.799 6 residues pruned to eliminate duplicates Z: 10 7.655 2.086 0.150 0.370 0.889 0.444 CA 1.374 10 residues pruned to eliminate duplicates Z: 15 6.772 2.013 0.236 0.287 0.714 0.286 CB 1.294 15 residues pruned to eliminate duplicates Z: 10 10.838 2.186 0.392 0.366 0.889 0.444 CA 1.542 10 residues pruned to eliminate duplicates Z: 15 10.609 1.852 0.419 0.551 0.929 0.714 CB 1.106 12 residues pruned to eliminate duplicates Z: 11 10.455 1.886 0.416 0.660 1.000 0.600 CB 1.067 11 residues pruned to eliminate duplicates Z: 16 10.641 1.868 0.263 0.532 0.933 0.400 CB 1.209 16 residues pruned to eliminate duplicates Z: 16 11.866 1.869 0.327 0.492 0.933 0.467 CA 1.335 14 residues pruned to eliminate duplicates Z: 20 11.053 1.757 0.388 0.455 0.895 0.579 CB 1.218 17 residues pruned to eliminate duplicates Z: 8 8.928 1.905 0.468 0.742 0.857 0.714 CB 1.133 8 residues pruned to eliminate duplicates Z: 17 11.864 1.856 0.450 0.468 0.875 0.500 CB 1.301 17 residues pruned to eliminate duplicates Z: 15 10.165 1.895 0.215 0.466 1.000 0.571 CB 1.221 15 residues pruned to eliminate duplicates Z: 16 14.135 1.874 0.620 0.467 1.000 0.600 CB 1.243 17 residues pruned to eliminate duplicates Z: 9 8.787 2.000 0.385 0.568 0.875 0.625 CB 1.200 9 residues pruned to eliminate duplicates Z: 15 14.022 1.967 0.522 0.511 0.929 0.500 CB 1.334 19 residues pruned to eliminate duplicates Z: 7 8.287 1.830 0.657 0.348 0.833 0.333 CB 1.579 7 residues pruned to eliminate duplicates Z: 13 7.723 1.676 0.154 0.330 0.917 0.333 C 1.514 14 residues pruned to eliminate duplicates Z: 6 5.055 2.144 0.380 0.225 1.000 0.600 CA 1.054 6 residues pruned to eliminate duplicates Z: 19 11.525 2.056 0.380 0.348 0.833 0.611 CA 1.355 38 residues pruned to eliminate duplicates Z: 17 11.112 2.134 0.401 0.326 0.812 0.625 CA 1.383 17 residues pruned to eliminate duplicates Z: 11 4.656 2.109 0.172 0.153 0.700 0.600 CA 1.303 11 residues pruned to eliminate duplicates Z: 24 19.713 2.084 0.523 0.437 0.913 0.609 CA 1.514 24 residues pruned to eliminate duplicates Z: 14 7.923 1.876 0.440 0.366 0.692 0.462 CA 1.357 14 residues pruned to eliminate duplicates Z: 23 19.028 2.098 0.557 0.394 0.864 0.636 CA 1.610 23 residues pruned to eliminate duplicates Z: 12 5.710 1.882 0.365 0.216 0.727 0.455 CA 1.286 12 residues pruned to eliminate duplicates Z: 15 12.619 1.942 0.738 0.332 0.929 0.357 CA 1.295 15 residues pruned to eliminate duplicates Z: 15 12.856 1.993 0.703 0.301 0.857 0.357 CA 1.474 15 residues pruned to eliminate duplicates Z: 24 19.868 2.048 0.554 0.413 0.957 0.652 CB 1.490 24 residues pruned to eliminate duplicates Z: 22 17.688 1.969 0.547 0.371 0.952 0.571 CB 1.528 22 residues pruned to eliminate duplicates Z: 14 11.102 1.961 0.583 0.302 0.923 0.462 CA 1.340 14 residues pruned to eliminate duplicates Z: 23 16.413 1.996 0.529 0.338 0.909 0.591 CA 1.506 23 residues pruned to eliminate duplicates Z: 23 17.211 2.024 0.573 0.355 0.909 0.636 CA 1.482 23 residues pruned to eliminate duplicates Z: 24 20.821 2.063 0.606 0.453 0.957 0.652 CA 1.438 24 residues pruned to eliminate duplicates Z: 24 15.085 1.995 0.395 0.417 0.826 0.609 CA 1.492 24 residues pruned to eliminate duplicates Z: 24 21.281 2.101 0.524 0.430 0.957 0.609 CA 1.557 24 residues pruned to eliminate duplicates Z: 24 16.932 2.032 0.400 0.433 0.913 0.565 CA 1.456 24 residues pruned to eliminate duplicates Z: 19 15.955 1.934 0.601 0.475 0.944 0.556 CB 1.319 19 residues pruned to eliminate duplicates Z: 10 15.989 2.047 0.561 0.536 1.000 0.667 CB 1.610 9 residues pruned to eliminate duplicates Z: 6 6.359 1.942 0.032 0.426 1.000 0.600 CA 1.534 6 residues pruned to eliminate duplicates Z: 13 5.459 1.696 0.488 0.315 0.667 0.167 CB 1.149 9 residues pruned to eliminate duplicates Z: 8 11.784 1.912 0.452 0.545 1.000 0.714 CB 1.535 6 residues pruned to eliminate duplicates Z: 9 6.629 1.870 0.274 0.502 0.875 0.625 CB 1.121 9 residues pruned to eliminate duplicates Z: 16 18.537 1.994 0.558 0.510 1.000 0.267 CA 1.525 16 residues pruned to eliminate duplicates Z: 23 16.902 2.052 0.308 0.439 0.864 0.318 CA 1.655 23 residues pruned to eliminate duplicates Z: 27 17.590 1.993 0.386 0.437 0.846 0.500 N 1.576 27 residues pruned to eliminate duplicates Z: 25 16.294 1.999 0.419 0.428 0.792 0.417 CB 1.596 25 residues pruned to eliminate duplicates Z: 21 19.047 2.085 0.414 0.448 0.900 0.450 CB 1.694 21 residues pruned to eliminate duplicates Z: 24 13.775 1.973 0.403 0.442 0.696 0.522 CB 1.584 24 residues pruned to eliminate duplicates Z: 24 16.251 1.998 0.452 0.457 0.826 0.261 CA 1.478 24 residues pruned to eliminate duplicates Z: 27 13.981 1.936 0.272 0.421 0.885 0.385 CB 1.366 27 residues pruned to eliminate duplicates Z: 23 18.878 2.019 0.428 0.470 0.909 0.545 CB 1.583 23 residues pruned to eliminate duplicates Z: 23 13.203 1.878 0.295 0.456 0.864 0.455 CB 1.403 23 residues pruned to eliminate duplicates Z: 28 15.986 1.884 0.465 0.392 0.852 0.481 CB 1.466 28 residues pruned to eliminate duplicates Z: 24 16.576 1.993 0.475 0.435 0.826 0.565 N 1.523 24 residues pruned to eliminate duplicates Z: 23 19.364 2.044 0.418 0.491 0.909 0.364 CA 1.581 23 residues pruned to eliminate duplicates Z: 7 4.888 1.629 0.519 0.482 0.667 0.667 CA 1.232 7 residues pruned to eliminate duplicates Z: 14 8.289 1.784 0.214 0.418 0.846 0.308 CB 1.367 9 residues pruned to eliminate duplicates Z: 7 4.919 1.479 1.063 0.424 0.833 0.500 CA 0.855 7 residues pruned to eliminate duplicates Z: 21 18.735 2.217 0.382 0.459 0.950 0.500 CA 1.500 21 residues pruned to eliminate duplicates Z: 6 2.877 2.055 0.373 0.367 0.600 0.600 CB 0.877 6 residues pruned to eliminate duplicates Z: 21 20.590 2.175 0.655 0.468 0.950 0.650 CB 1.391 21 residues pruned to eliminate duplicates Z: 36 28.584 2.097 0.538 0.616 0.971 0.714 CA 1.382 35 residues pruned to eliminate duplicates Z: 7 3.845 1.650 0.325 0.312 0.833 0.167 CA 1.060 7 residues pruned to eliminate duplicates Z: 25 19.018 2.038 0.598 0.433 0.958 0.583 CA 1.333 25 residues pruned to eliminate duplicates Z: 8 5.700 1.518 0.904 0.515 0.857 0.571 CA 0.857 8 residues pruned to eliminate duplicates Z: 21 14.798 2.012 0.405 0.450 0.950 0.650 CB 1.296 21 residues pruned to eliminate duplicates Z: 23 16.991 2.084 0.515 0.447 0.909 0.545 CB 1.333 23 residues pruned to eliminate duplicates Z: 15 12.541 1.973 0.482 0.493 1.000 0.714 CA 1.154 15 residues pruned to eliminate duplicates Z: 21 18.774 2.194 0.607 0.464 0.850 0.650 CA 1.453 21 residues pruned to eliminate duplicates Z: 29 17.593 2.072 0.427 0.394 0.929 0.607 CA 1.355 29 residues pruned to eliminate duplicates Z: 34 28.602 2.139 0.579 0.619 0.939 0.636 CA 1.403 35 residues pruned to eliminate duplicates Z: 22 18.994 1.961 0.251 0.886 1.000 0.905 CA 1.219 22 residues pruned to eliminate duplicates Z: 46 28.513 2.076 0.463 0.551 0.956 0.600 CA 1.393 46 residues pruned to eliminate duplicates Z: 20 15.699 1.996 0.306 0.859 0.842 0.579 CA 1.208 20 residues pruned to eliminate duplicates Z: 60 36.855 2.085 0.582 0.613 0.898 0.627 CB 1.455 60 residues pruned to eliminate duplicates Z: 30 25.235 2.060 0.684 0.536 0.931 0.448 CA 1.400 30 residues pruned to eliminate duplicates Z: 42 30.851 2.043 0.605 0.595 0.951 0.537 CA 1.411 50 residues pruned to eliminate duplicates Z: 13 17.936 2.032 0.322 0.879 1.000 0.333 CA 1.399 13 residues pruned to eliminate duplicates Z: 51 37.513 2.068 0.549 0.699 0.960 0.640 CB 1.439 51 residues pruned to eliminate duplicates Z: 37 30.361 2.048 0.677 0.649 0.944 0.556 CA 1.358 37 residues pruned to eliminate duplicates Z: 42 24.961 2.058 0.377 0.610 0.878 0.537 CA 1.410 42 residues pruned to eliminate duplicates Z: 30 26.456 2.095 0.574 0.679 0.931 0.759 CA 1.357 30 residues pruned to eliminate duplicates Z: 58 30.047 2.034 0.504 0.520 0.947 0.632 CA 1.347 58 residues pruned to eliminate duplicates Z: 39 37.079 2.068 0.813 0.719 0.921 0.474 CA 1.429 39 residues pruned to eliminate duplicates Z: 13 16.627 2.051 0.741 0.793 0.833 0.250 CA 1.248 13 residues pruned to eliminate duplicates Z: 18 20.241 1.973 0.674 0.721 0.941 0.471 CA 1.293 18 residues pruned to eliminate duplicates Z: 28 18.761 1.886 0.405 0.644 0.889 0.519 CB 1.339 28 residues pruned to eliminate duplicates Z: 37 29.489 2.016 0.578 0.674 0.944 0.500 CA 1.393 37 residues pruned to eliminate duplicates Z: 60 39.828 2.051 0.704 0.573 0.949 0.559 CA 1.457 60 residues pruned to eliminate duplicates Z: 35 26.383 1.993 0.457 0.689 0.971 0.559 CA 1.350 35 residues pruned to eliminate duplicates Z: 68 42.040 2.112 0.555 0.631 0.955 0.627 CB 1.447 60 residues pruned to eliminate duplicates Z: 6 6.449 1.727 0.659 0.477 1.000 0.400 CA 1.029 6 residues pruned to eliminate duplicates Z: 24 22.906 2.085 0.474 0.587 1.000 0.652 CB 1.429 24 residues pruned to eliminate duplicates Z: 20 16.715 2.070 0.326 0.572 1.000 0.737 CB 1.304 20 residues pruned to eliminate duplicates Z: 24 21.806 2.085 0.482 0.609 1.000 0.609 CB 1.327 24 residues pruned to eliminate duplicates Z: 52 37.080 2.131 0.534 0.652 0.941 0.647 CB 1.464 52 residues pruned to eliminate duplicates Z: 42 31.702 2.093 0.552 0.547 0.951 0.634 CB 1.530 42 residues pruned to eliminate duplicates Z: 22 19.183 2.111 0.583 0.582 0.905 0.619 CB 1.280 22 residues pruned to eliminate duplicates Z: 24 22.382 2.004 0.634 0.610 0.913 0.478 CB 1.406 24 residues pruned to eliminate duplicates Z: 42 33.489 2.092 0.523 0.692 0.976 0.463 CB 1.411 42 residues pruned to eliminate duplicates Z: 46 31.296 2.084 0.502 0.519 0.956 0.578 CB 1.530 46 residues pruned to eliminate duplicates Z: 18 17.287 2.003 0.407 0.596 1.000 0.647 CB 1.357 18 residues pruned to eliminate duplicates Z: 20 26.230 2.104 0.773 0.687 0.947 0.684 CB 1.434 20 residues pruned to eliminate duplicates Z: 68 38.232 2.082 0.511 0.601 0.940 0.642 CA 1.435 76 residues pruned to eliminate duplicates Z: 12 19.974 2.053 0.498 0.845 1.000 0.636 CB 1.456 12 residues pruned to eliminate duplicates Z: 25 21.277 2.051 0.406 0.600 0.917 0.583 CB 1.494 25 residues pruned to eliminate duplicates Z: 32 20.614 2.030 0.546 0.422 0.871 0.516 CA 1.469 32 residues pruned to eliminate duplicates Z: 23 24.931 2.098 0.582 0.616 1.000 0.591 CB 1.436 23 residues pruned to eliminate duplicates Z: 25 15.868 1.887 0.580 0.443 0.833 0.375 CA 1.382 25 residues pruned to eliminate duplicates Z: 31 25.162 2.053 0.513 0.461 0.967 0.633 CA 1.592 31 residues pruned to eliminate duplicates Z: 42 30.898 2.101 0.485 0.559 0.927 0.585 CA 1.577 42 residues pruned to eliminate duplicates Z: 47 29.159 2.076 0.504 0.487 0.891 0.522 CA 1.566 47 residues pruned to eliminate duplicates Z: 31 20.871 2.084 0.492 0.439 0.867 0.533 CA 1.506 31 residues pruned to eliminate duplicates Z: 46 31.847 2.076 0.604 0.529 0.911 0.511 CA 1.521 46 residues pruned to eliminate duplicates Z: 47 28.896 2.041 0.542 0.493 0.913 0.543 CB 1.494 47 residues pruned to eliminate duplicates Z: 22 17.813 2.044 0.432 0.514 0.905 0.571 CA 1.447 22 residues pruned to eliminate duplicates Z: 46 25.552 2.013 0.610 0.410 0.867 0.467 CA 1.491 46 residues pruned to eliminate duplicates Z: 83 43.076 2.088 0.539 0.587 0.939 0.622 CA 1.451 83 residues pruned to eliminate duplicates Z: 21 14.595 1.834 0.703 0.341 0.950 0.500 CA 1.307 21 residues pruned to eliminate duplicates Z: 47 27.626 2.085 0.452 0.510 0.870 0.652 CA 1.531 47 residues pruned to eliminate duplicates Z: 44 30.558 2.090 0.507 0.549 0.930 0.674 CA 1.516 44 residues pruned to eliminate duplicates Z: 31 24.196 2.056 0.595 0.449 0.933 0.567 CA 1.521 31 residues pruned to eliminate duplicates Z: 22 19.459 1.986 0.691 0.501 0.857 0.571 CA 1.475 22 residues pruned to eliminate duplicates Z: 29 22.733 2.082 0.656 0.479 0.893 0.643 CA 1.425 29 residues pruned to eliminate duplicates Z: 23 18.602 1.929 0.562 0.485 0.909 0.682 CA 1.470 23 residues pruned to eliminate duplicates Z: 47 30.392 2.084 0.425 0.505 0.935 0.543 CB 1.606 47 residues pruned to eliminate duplicates Z: 27 19.305 2.042 0.549 0.467 0.885 0.538 CA 1.400 27 residues pruned to eliminate duplicates Z: 20 19.848 2.100 0.557 0.541 0.842 0.579 CA 1.588 20 residues pruned to eliminate duplicates Z: 43 31.607 2.119 0.552 0.536 0.929 0.524 CA 1.541 43 residues pruned to eliminate duplicates Z: 23 22.793 2.082 0.681 0.470 0.909 0.500 CA 1.575 23 residues pruned to eliminate duplicates Z: 24 25.358 2.025 0.838 0.479 0.913 0.522 CA 1.589 24 residues pruned to eliminate duplicates Z: 46 33.559 2.065 0.716 0.491 0.933 0.511 CA 1.527 46 residues pruned to eliminate duplicates Z: 31 19.825 2.036 0.630 0.396 0.867 0.367 CA 1.406 31 residues pruned to eliminate duplicates Z: 11 14.963 1.989 0.670 0.666 0.900 0.400 CB 1.358 11 residues pruned to eliminate duplicates Z: 9 7.620 1.901 0.324 0.691 0.750 0.375 CB 1.199 9 residues pruned to eliminate duplicates Z: 11 10.430 1.963 0.492 0.638 0.700 0.200 CB 1.414 11 residues pruned to eliminate duplicates Z: 10 13.459 2.056 0.374 0.760 0.889 0.444 CB 1.418 10 residues pruned to eliminate duplicates Z: 17 17.513 1.948 0.816 0.546 0.875 0.438 CB 1.353 16 residues pruned to eliminate duplicates Z: 44 22.646 2.017 0.475 0.461 0.791 0.465 CA 1.528 44 residues pruned to eliminate duplicates Z: 63 39.867 2.108 0.603 0.580 0.919 0.613 CA 1.509 63 residues pruned to eliminate duplicates Z: 62 43.107 2.149 0.620 0.582 0.951 0.672 CA 1.542 62 residues pruned to eliminate duplicates Z: 9 13.952 1.951 1.006 0.479 1.000 0.250 CA 1.288 9 residues pruned to eliminate duplicates Z: 62 35.402 2.084 0.526 0.575 0.885 0.623 CA 1.497 62 residues pruned to eliminate duplicates Z: 41 24.006 2.093 0.539 0.440 0.875 0.525 CA 1.433 41 residues pruned to eliminate duplicates Z: 29 17.163 2.109 0.422 0.426 0.893 0.500 CA 1.309 29 residues pruned to eliminate duplicates Z: 64 40.892 2.068 0.630 0.587 0.937 0.587 CA 1.502 65 residues pruned to eliminate duplicates Z: 7 4.457 1.498 0.673 0.421 1.000 0.500 CB 0.788 7 residues pruned to eliminate duplicates Z: 63 40.289 2.078 0.558 0.561 0.968 0.629 CA 1.539 63 residues pruned to eliminate duplicates Z: 25 16.035 2.051 0.520 0.378 0.792 0.625 CA 1.510 25 residues pruned to eliminate duplicates Z: 44 26.237 2.055 0.592 0.403 0.860 0.419 CA 1.574 44 residues pruned to eliminate duplicates Z: 36 23.157 2.103 0.748 0.363 0.857 0.429 CA 1.440 36 residues pruned to eliminate duplicates Z: 25 14.324 2.133 0.434 0.315 0.833 0.500 CA 1.407 25 residues pruned to eliminate duplicates Z: 46 25.366 2.147 0.418 0.477 0.889 0.622 CA 1.431 46 residues pruned to eliminate duplicates Z: 38 37.064 2.093 0.683 0.653 0.919 0.730 CA 1.633 38 residues pruned to eliminate duplicates Z: 45 21.165 2.044 0.599 0.375 0.750 0.500 CA 1.487 45 residues pruned to eliminate duplicates Z: 15 13.413 2.132 0.498 0.394 0.786 0.429 CA 1.597 15 residues pruned to eliminate duplicates Z: 27 31.066 2.205 0.745 0.584 0.923 0.769 CA 1.583 27 residues pruned to eliminate duplicates Z: 34 34.136 2.143 0.695 0.665 0.818 0.636 CA 1.716 34 residues pruned to eliminate duplicates Z: 60 33.988 2.126 0.478 0.546 0.915 0.559 CA 1.472 60 residues pruned to eliminate duplicates Z: 14 15.045 1.952 0.954 0.429 0.846 0.692 CB 1.392 14 residues pruned to eliminate duplicates Z: 36 37.322 2.145 0.684 0.669 0.943 0.771 CA 1.584 36 residues pruned to eliminate duplicates Z: 41 37.154 2.107 0.608 0.640 0.925 0.650 CA 1.645 39 residues pruned to eliminate duplicates Z: 24 42.310 2.164 0.774 0.845 1.000 0.739 CB 1.709 27 residues pruned to eliminate duplicates Z: 13 29.686 2.085 0.791 0.852 1.000 0.250 CB 1.698 13 residues pruned to eliminate duplicates Z: 36 38.578 2.120 0.753 0.682 0.886 0.600 CA 1.675 36 residues pruned to eliminate duplicates Z: 24 36.425 2.130 0.657 0.796 0.957 0.652 CA 1.735 24 residues pruned to eliminate duplicates Z: 36 39.904 2.179 0.734 0.669 0.914 0.600 CA 1.670 36 residues pruned to eliminate duplicates Z: 47 36.981 2.139 0.610 0.625 0.870 0.609 CA 1.618 47 residues pruned to eliminate duplicates Z: 38 35.237 2.048 0.694 0.632 0.946 0.595 CA 1.560 38 residues pruned to eliminate duplicates Z: 54 34.445 2.063 0.616 0.553 0.868 0.566 CB 1.553 54 residues pruned to eliminate duplicates Z: 38 39.515 2.130 0.690 0.650 0.946 0.541 CA 1.658 38 residues pruned to eliminate duplicates Z: 61 38.833 2.142 0.599 0.578 0.867 0.533 CA 1.567 61 residues pruned to eliminate duplicates Z: 52 39.704 2.153 0.736 0.539 0.902 0.569 CA 1.587 52 residues pruned to eliminate duplicates Z: 27 45.376 2.236 0.776 0.770 1.000 0.538 CB 1.764 26 residues pruned to eliminate duplicates Z: 23 46.806 2.149 0.897 0.935 1.000 0.818 CB 1.705 23 residues pruned to eliminate duplicates Z: 23 38.213 2.106 0.825 0.878 0.864 0.591 CB 1.781 23 residues pruned to eliminate duplicates Z: 62 44.944 2.143 0.781 0.552 0.902 0.557 CA 1.589 62 residues pruned to eliminate duplicates Z: 43 45.686 2.124 0.828 0.651 0.952 0.548 CA 1.655 43 residues pruned to eliminate duplicates Z: 63 44.267 2.132 0.749 0.565 0.903 0.419 CA 1.567 63 residues pruned to eliminate duplicates Z: 39 39.598 2.053 0.885 0.649 0.868 0.526 CA 1.664 39 residues pruned to eliminate duplicates Z: 63 38.884 2.070 0.639 0.556 0.919 0.387 CA 1.500 63 residues pruned to eliminate duplicates Z: 35 35.081 2.019 0.735 0.688 0.912 0.471 CB 1.587 35 residues pruned to eliminate duplicates Z: 60 42.835 2.137 0.677 0.589 0.949 0.424 CA 1.506 61 residues pruned to eliminate duplicates Z: 6 3.758 1.612 0.438 0.205 0.800 0.400 C 1.287 6 residues pruned to eliminate duplicates Z: 65 46.655 2.193 0.742 0.571 0.922 0.531 CB 1.547 65 residues pruned to eliminate duplicates Z: 23 19.078 2.148 0.679 0.383 0.909 0.500 CB 1.405 34 residues pruned to eliminate duplicates Z: 14 10.720 2.099 0.460 0.394 0.846 0.538 CB 1.283 Z: 6 5.401 1.677 0.732 0.393 1.000 0.600 CA 0.931 6 residues pruned to eliminate duplicates Z: 64 46.663 2.186 0.727 0.563 0.921 0.571 CB 1.592 64 residues pruned to eliminate duplicates Z: 49 31.507 2.201 0.503 0.486 0.896 0.583 CB 1.556 40 residues pruned to eliminate duplicates Z: 7 5.920 1.487 0.312 0.521 1.000 0.833 O 1.213 7 residues pruned to eliminate duplicates Z: 66 42.636 2.179 0.544 0.586 0.923 0.662 CB 1.568 66 residues pruned to eliminate duplicates Z: 26 27.900 2.068 0.657 0.688 1.000 0.800 CA 1.370 26 residues pruned to eliminate duplicates Z: 50 45.465 2.235 0.590 0.655 0.980 0.694 CA 1.615 50 residues pruned to eliminate duplicates Z: 65 36.615 2.146 0.552 0.539 0.875 0.609 CB 1.512 65 residues pruned to eliminate duplicates Z: 42 33.437 2.125 0.461 0.623 0.976 0.634 CB 1.536 42 residues pruned to eliminate duplicates Z: 23 25.818 2.146 0.515 0.643 0.955 0.636 CA 1.551 23 residues pruned to eliminate duplicates Z: 26 32.705 2.210 0.569 0.667 1.000 0.600 CA 1.615 26 residues pruned to eliminate duplicates Z: 31 39.652 2.221 0.670 0.723 0.967 0.667 CA 1.651 31 residues pruned to eliminate duplicates Z: 28 22.947 2.085 0.363 0.568 0.963 0.593 CB 1.511 28 residues pruned to eliminate duplicates Z: 28 27.681 2.162 0.544 0.627 0.889 0.407 CB 1.593 28 residues pruned to eliminate duplicates Z: 26 25.080 2.158 0.526 0.570 0.960 0.680 CA 1.483 26 residues pruned to eliminate duplicates Z: 29 26.744 2.127 0.510 0.617 0.929 0.571 CB 1.517 29 residues pruned to eliminate duplicates Z: 65 40.120 2.187 0.513 0.575 0.938 0.516 CB 1.505 65 residues pruned to eliminate duplicates Z: 51 39.676 2.229 0.637 0.637 0.940 0.560 CB 1.439 51 residues pruned to eliminate duplicates Z: 50 38.108 2.206 0.529 0.655 0.939 0.571 CB 1.489 50 residues pruned to eliminate duplicates Z: 66 45.507 2.173 0.754 0.586 0.923 0.585 CB 1.478 66 residues pruned to eliminate duplicates Z: 53 37.196 2.186 0.604 0.579 0.923 0.442 CB 1.477 53 residues pruned to eliminate duplicates Z: 66 39.482 2.181 0.583 0.546 0.908 0.508 CB 1.495 66 residues pruned to eliminate duplicates Z: 44 43.898 2.215 0.736 0.693 0.953 0.581 CB 1.530 44 residues pruned to eliminate duplicates Z: 65 41.756 2.195 0.638 0.568 0.891 0.516 CB 1.526 65 residues pruned to eliminate duplicates Z: 31 36.677 2.227 0.642 0.736 0.967 0.567 CA 1.533 31 residues pruned to eliminate duplicates Z: 65 46.920 2.196 0.663 0.587 0.953 0.531 CB 1.549 65 residues pruned to eliminate duplicates Z: 46 38.501 2.158 0.653 0.652 0.978 0.578 CB 1.429 46 residues pruned to eliminate duplicates Z: 44 43.577 2.221 0.610 0.673 1.000 0.674 CB 1.584 44 residues pruned to eliminate duplicates Z: 74 51.766 2.237 0.755 0.539 0.945 0.603 CB 1.572 74 residues pruned to eliminate duplicates Z: 66 43.901 2.192 0.699 0.561 0.877 0.523 CB 1.571 66 residues pruned to eliminate duplicates Z: 45 49.942 2.198 0.861 0.707 0.955 0.614 CB 1.598 45 residues pruned to eliminate duplicates Z: 75 50.631 2.216 0.747 0.556 0.919 0.595 CB 1.566 75 residues pruned to eliminate duplicates Z: 66 49.408 2.186 0.737 0.596 0.938 0.554 CB 1.570 66 residues pruned to eliminate duplicates Z: 45 44.580 2.242 0.768 0.647 0.932 0.636 CA 1.586 45 residues pruned to eliminate duplicates Z: 43 44.666 2.241 0.676 0.703 1.000 0.643 CA 1.525 43 residues pruned to eliminate duplicates Z: 14 17.952 2.106 0.604 0.632 1.000 0.615 CB 1.302 14 residues pruned to eliminate duplicates Z: 45 42.476 2.220 0.662 0.660 0.955 0.523 CB 1.568 45 residues pruned to eliminate duplicates Z: 28 22.279 2.131 0.607 0.434 0.889 0.481 CB 1.508 28 residues pruned to eliminate duplicates Z: 53 44.148 2.181 0.744 0.627 0.962 0.596 CB 1.485 53 residues pruned to eliminate duplicates Z: 67 42.419 2.196 0.588 0.568 0.909 0.545 CB 1.543 67 residues pruned to eliminate duplicates Z: 73 49.587 2.224 0.768 0.522 0.917 0.583 CA 1.586 73 residues pruned to eliminate duplicates Z: 65 45.596 2.202 0.586 0.599 0.938 0.578 CB 1.584 65 residues pruned to eliminate duplicates Z: 66 44.447 2.166 0.693 0.555 0.908 0.508 CA 1.570 66 residues pruned to eliminate duplicates Z: 65 46.959 2.203 0.685 0.574 0.938 0.516 CB 1.571 65 residues pruned to eliminate duplicates Z: 67 44.718 2.177 0.713 0.576 0.894 0.530 CB 1.534 67 residues pruned to eliminate duplicates Z: 56 38.976 2.189 0.621 0.573 0.927 0.582 CB 1.489 56 residues pruned to eliminate duplicates Z: 64 49.829 2.211 0.738 0.593 0.937 0.587 CB 1.597 64 residues pruned to eliminate duplicates Z: 31 18.584 2.109 0.752 0.291 0.767 0.367 CB 1.515 31 residues pruned to eliminate duplicates Z: 31 22.783 2.228 0.672 0.329 0.867 0.500 CB 1.553 31 residues pruned to eliminate duplicates Z: 73 52.142 2.238 0.739 0.544 0.944 0.611 CA 1.601 73 residues pruned to eliminate duplicates Z: 25 22.437 2.164 0.782 0.371 0.917 0.583 CB 1.488 25 residues pruned to eliminate duplicates Z: 75 52.313 2.189 0.792 0.536 0.946 0.514 CB 1.582 75 residues pruned to eliminate duplicates Z: 32 15.884 2.078 0.658 0.298 0.774 0.484 CB 1.341 32 residues pruned to eliminate duplicates Z: 27 18.777 2.099 0.679 0.321 0.885 0.423 CA 1.439 27 residues pruned to eliminate duplicates Z: 25 19.447 2.105 0.716 0.296 0.875 0.417 CB 1.577 25 residues pruned to eliminate duplicates Z: 23 19.908 2.227 0.672 0.332 0.864 0.500 CA 1.586 23 residues pruned to eliminate duplicates Z: 30 25.332 2.227 0.806 0.317 0.966 0.414 CB 1.482 30 residues pruned to eliminate duplicates Z: 30 24.232 2.173 0.787 0.343 0.862 0.552 CA 1.595 30 residues pruned to eliminate duplicates Z: 72 46.880 2.200 0.775 0.509 0.887 0.563 CB 1.592 72 residues pruned to eliminate duplicates Z: 21 20.210 2.242 0.743 0.359 0.850 0.650 CA 1.584 21 residues pruned to eliminate duplicates Z: 24 16.808 2.062 0.795 0.321 0.826 0.435 CA 1.397 24 residues pruned to eliminate duplicates Z: 22 19.980 2.233 0.703 0.335 0.857 0.619 CA 1.602 22 residues pruned to eliminate duplicates Z: 25 18.779 2.194 0.649 0.290 0.875 0.500 CB 1.533 25 residues pruned to eliminate duplicates Z: 74 48.509 2.209 0.692 0.518 0.932 0.534 CA 1.602 74 residues pruned to eliminate duplicates Z: 28 18.680 1.957 0.788 0.341 0.815 0.222 CA 1.500 28 residues pruned to eliminate duplicates Z: 29 21.556 2.207 0.716 0.311 0.857 0.464 CB 1.546 29 residues pruned to eliminate duplicates Z: 72 48.056 2.189 0.788 0.519 0.930 0.521 CA 1.538 72 residues pruned to eliminate duplicates Z: 21 19.379 2.226 0.715 0.343 0.900 0.550 CB 1.496 21 residues pruned to eliminate duplicates Z: 25 20.037 2.150 0.714 0.334 0.875 0.458 CB 1.521 25 residues pruned to eliminate duplicates Z: 21 17.684 2.240 0.641 0.285 0.850 0.450 CB 1.613 21 residues pruned to eliminate duplicates Z: 41 21.779 2.126 0.564 0.305 0.800 0.550 CB 1.609 41 residues pruned to eliminate duplicates Z: 47 26.646 2.167 0.380 0.498 0.870 0.609 CB 1.514 47 residues pruned to eliminate duplicates Z: 12 6.848 1.735 0.175 0.513 0.818 0.545 C 1.222 12 residues pruned to eliminate duplicates Z: 9 8.666 1.878 -0.049 0.674 1.000 0.625 N 1.462 9 residues pruned to eliminate duplicates Z: 51 28.015 2.194 0.428 0.427 0.920 0.520 CB 1.483 51 residues pruned to eliminate duplicates Z: 23 18.908 2.137 0.043 0.679 0.955 0.727 CB 1.606 23 residues pruned to eliminate duplicates Z: 33 14.859 1.919 0.104 0.575 0.875 0.688 CB 1.318 33 residues pruned to eliminate duplicates Z: 27 19.960 1.998 0.196 0.637 0.885 0.615 CA 1.630 27 residues pruned to eliminate duplicates Z: 9 7.418 1.944 0.103 0.443 0.875 0.625 N 1.481 9 residues pruned to eliminate duplicates Z: 26 18.962 2.068 0.139 0.564 0.920 0.640 CB 1.645 26 residues pruned to eliminate duplicates Z: 45 25.149 2.165 0.491 0.362 0.841 0.455 CB 1.621 45 residues pruned to eliminate duplicates Z: 19 14.095 2.132 0.040 0.675 0.889 0.667 CB 1.435 19 residues pruned to eliminate duplicates Z: 20 16.626 2.145 0.110 0.652 0.895 0.579 CB 1.555 20 residues pruned to eliminate duplicates Z: 20 16.051 2.158 0.091 0.615 0.947 0.579 CB 1.482 20 residues pruned to eliminate duplicates Z: 18 18.032 2.082 0.331 0.740 0.941 0.706 CB 1.353 18 residues pruned to eliminate duplicates Z: 25 17.734 2.144 0.261 0.581 0.833 0.625 CB 1.487 25 residues pruned to eliminate duplicates Z: 22 21.251 2.186 0.185 0.659 0.905 0.667 CB 1.707 22 residues pruned to eliminate duplicates Z: 19 20.431 2.221 0.363 0.620 0.889 0.556 CB 1.597 19 residues pruned to eliminate duplicates Z: 26 31.913 2.151 0.617 0.693 0.960 0.720 CB 1.602 26 residues pruned to eliminate duplicates Z: 15 21.005 2.220 0.602 0.788 0.929 0.643 CB 1.319 15 residues pruned to eliminate duplicates Z: 15 20.594 2.171 0.463 0.741 1.000 0.500 CB 1.396 15 residues pruned to eliminate duplicates Z: 15 20.886 2.209 0.418 0.756 1.000 0.643 CB 1.418 15 residues pruned to eliminate duplicates Z: 24 28.990 2.079 0.659 0.664 0.870 0.565 N 1.733 24 residues pruned to eliminate duplicates Z: 26 25.799 2.215 0.519 0.684 0.760 0.480 CB 1.704 26 residues pruned to eliminate duplicates Z: 24 21.401 2.154 0.610 0.514 0.870 0.348 CB 1.459 31 residues pruned to eliminate duplicates Z: 25 23.845 2.135 0.707 0.487 0.875 0.375 CB 1.546 25 residues pruned to eliminate duplicates Z: 27 31.971 2.140 0.638 0.680 0.923 0.615 CB 1.643 27 residues pruned to eliminate duplicates Z: 28 30.823 2.140 0.591 0.678 0.926 0.407 CB 1.597 28 residues pruned to eliminate duplicates Z: 28 32.068 2.157 0.602 0.675 0.889 0.630 CB 1.709 28 residues pruned to eliminate duplicates Z: 11 15.132 2.057 0.436 0.870 0.800 0.500 CA 1.478 11 residues pruned to eliminate duplicates Z: 29 30.222 2.104 0.618 0.652 0.857 0.357 CB 1.698 27 residues pruned to eliminate duplicates Z: 14 19.687 1.775 0.846 0.840 0.923 0.615 CA 1.347 16 residues pruned to eliminate duplicates Z: 12 16.851 1.956 0.582 0.833 0.818 0.636 CA 1.506 12 residues pruned to eliminate duplicates Z: 27 36.809 2.184 0.724 0.690 0.923 0.462 CB 1.746 27 residues pruned to eliminate duplicates Z: 11 27.304 2.062 1.011 0.873 1.000 0.500 CB 1.517 12 residues pruned to eliminate duplicates Z: 13 18.707 2.013 0.724 0.741 0.833 0.500 CB 1.505 13 residues pruned to eliminate duplicates Z: 17 19.500 1.999 0.638 0.581 0.875 0.375 CB 1.575 17 residues pruned to eliminate duplicates Z: 29 27.975 2.078 0.586 0.674 0.857 0.464 CB 1.593 29 residues pruned to eliminate duplicates Z: 37 31.824 2.052 0.750 0.646 0.889 0.556 CB 1.449 37 residues pruned to eliminate duplicates Z: 35 18.233 2.071 0.232 0.341 0.912 0.382 CB 1.599 35 residues pruned to eliminate duplicates Z: 32 15.495 2.054 0.163 0.375 0.839 0.484 CB 1.587 32 residues pruned to eliminate duplicates Z: 35 14.580 1.995 0.237 0.330 0.853 0.500 CB 1.432 35 residues pruned to eliminate duplicates Z: 34 15.476 1.985 0.264 0.356 0.848 0.424 CB 1.479 34 residues pruned to eliminate duplicates Z: 34 16.321 2.067 0.197 0.354 0.879 0.364 CB 1.530 34 residues pruned to eliminate duplicates Z: 34 17.425 2.067 0.212 0.338 0.939 0.455 CB 1.539 34 residues pruned to eliminate duplicates Z: 35 17.103 2.022 0.226 0.350 0.912 0.441 CB 1.527 35 residues pruned to eliminate duplicates Z: 22 11.982 2.018 0.219 0.330 0.905 0.524 CB 1.416 22 residues pruned to eliminate duplicates Z: 36 17.573 2.006 0.249 0.334 0.943 0.429 CB 1.507 36 residues pruned to eliminate duplicates Z: 20 10.715 1.954 0.242 0.286 0.895 0.421 CB 1.441 20 residues pruned to eliminate duplicates Z: 29 13.952 1.967 0.222 0.374 0.821 0.500 CB 1.528 29 residues pruned to eliminate duplicates Z: 33 16.668 2.073 0.207 0.346 0.906 0.500 CB 1.536 33 residues pruned to eliminate duplicates Z: 21 11.092 1.969 0.376 0.330 0.800 0.550 CB 1.378 21 residues pruned to eliminate duplicates Z: 35 15.143 2.035 0.187 0.322 0.882 0.441 CB 1.481 35 residues pruned to eliminate duplicates Z: 33 15.838 2.073 0.206 0.361 0.875 0.531 CB 1.487 33 residues pruned to eliminate duplicates Z: 34 15.667 2.046 0.214 0.322 0.879 0.485 CB 1.520 34 residues pruned to eliminate duplicates Z: 33 17.841 2.033 0.276 0.395 0.875 0.562 CB 1.553 33 residues pruned to eliminate duplicates Z: 37 15.003 2.018 0.147 0.337 0.861 0.417 CB 1.498 37 residues pruned to eliminate duplicates Z: 35 17.953 2.059 0.214 0.378 0.882 0.471 CB 1.591 35 residues pruned to eliminate duplicates Z: 37 14.335 2.012 0.217 0.319 0.833 0.611 CB 1.429 37 residues pruned to eliminate duplicates Z: 23 10.000 1.971 0.173 0.282 0.818 0.318 CB 1.442 23 residues pruned to eliminate duplicates Z: 18 10.120 2.075 0.078 0.356 0.824 0.471 CB 1.556 18 residues pruned to eliminate duplicates Z: 34 14.449 2.054 0.170 0.344 0.818 0.485 CB 1.516 34 residues pruned to eliminate duplicates Z: 33 16.458 2.014 0.224 0.367 0.875 0.531 CB 1.556 33 residues pruned to eliminate duplicates Z: 18 12.706 2.092 0.026 0.450 0.941 0.353 CB 1.605 18 residues pruned to eliminate duplicates Z: 35 15.600 2.031 0.217 0.358 0.824 0.500 CB 1.531 35 residues pruned to eliminate duplicates Z: 22 9.797 2.016 0.191 0.297 0.762 0.476 CB 1.468 22 residues pruned to eliminate duplicates Z: 18 11.503 2.063 0.137 0.386 0.882 0.471 CB 1.522 18 residues pruned to eliminate duplicates Z: 16 11.663 2.068 0.187 0.378 0.867 0.467 CA 1.613 16 residues pruned to eliminate duplicates Z: 36 15.390 2.065 0.279 0.321 0.829 0.429 CB 1.448 36 residues pruned to eliminate duplicates Z: 18 11.237 2.058 0.178 0.364 0.824 0.471 CB 1.580 18 residues pruned to eliminate duplicates Z: 34 17.213 2.010 0.294 0.389 0.848 0.455 CB 1.528 34 residues pruned to eliminate duplicates Z: 40 17.706 2.000 0.239 0.365 0.846 0.436 CB 1.564 40 residues pruned to eliminate duplicates 585 residues left after pruning, divided into chains as follows: A: 16 B: 14 C: 37 D: 13 E: 10 F: 6 G: 9 H: 10 I: 16 J: 37 K: 8 L: 10 M: 37 N: 15 O: 8 P: 9 Q: 24 R: 7 S: 24 T: 89 U: 60 V: 126 CC for partial structure against native data = 22.15 % ------------------------------------------------------------------------------ Global autotracing cycle 12 = 0.300, Contrast = 0.414, Connect. = 0.685 for dens.mod. cycle 1 = 0.300, Contrast = 0.473, Connect. = 0.704 for dens.mod. cycle 2 = 0.300, Contrast = 0.549, Connect. = 0.739 for dens.mod. cycle 3 = 0.300, Contrast = 0.555, Connect. = 0.743 for dens.mod. cycle 4 = 0.300, Contrast = 0.562, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.566, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.570, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.572, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.573, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.574, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6768 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1220 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 33.383 2.204 0.457 0.944 1.000 0.947 CA 1.652 B: 18 20.582 2.202 0.239 0.870 0.941 0.824 CB 1.419 C: 20 42.995 2.313 0.805 0.938 0.947 0.684 CB 1.734 D: 14 8.150 1.867 0.258 0.403 0.846 0.462 CB 1.259 E: 23 23.835 1.995 0.506 0.883 0.955 0.773 CB 1.281 18 residues pruned to eliminate duplicates F: 23 37.247 2.149 0.530 0.902 1.000 0.727 CA 1.723 20 residues pruned to eliminate duplicates G: 22 30.053 2.162 0.403 0.889 1.000 0.857 CA 1.556 22 residues pruned to eliminate duplicates H: 12 20.874 1.994 0.613 0.879 1.000 0.818 CB 1.419 I: 21 40.820 2.300 0.590 0.936 1.000 0.900 CA 1.739 20 residues pruned to eliminate duplicates J: 17 19.760 2.218 0.213 0.833 0.938 0.812 CB 1.469 17 residues pruned to eliminate duplicates K: 20 39.433 2.268 0.776 0.915 1.000 0.842 CA 1.587 20 residues pruned to eliminate duplicates L: 11 19.287 1.996 0.610 0.800 0.900 0.600 CB 1.622 11 residues pruned to eliminate duplicates M: 30 12.828 1.898 0.126 0.381 0.862 0.448 CB 1.468 N: 20 18.164 2.014 0.542 0.408 0.895 0.579 CA 1.652 O: 23 16.672 2.113 0.537 0.404 0.909 0.545 CB 1.332 P: 20 39.813 2.328 0.604 0.914 1.000 0.684 CB 1.730 20 residues pruned to eliminate duplicates Q: 18 27.839 2.211 0.587 0.877 1.000 0.824 CB 1.397 20 residues pruned to eliminate duplicates R: 22 43.362 2.195 0.883 0.889 1.000 0.571 CB 1.649 22 residues pruned to eliminate duplicates S: 23 33.198 2.024 0.537 0.908 1.000 0.727 CA 1.616 23 residues pruned to eliminate duplicates T: 32 26.493 2.073 0.497 0.509 0.935 0.581 CA 1.624 3 residues pruned to eliminate duplicates U: 21 51.102 2.264 1.060 0.914 1.000 0.450 CA 1.732 21 residues pruned to eliminate duplicates V: 11 11.560 2.043 0.149 0.893 1.000 0.900 CB 1.119 11 residues pruned to eliminate duplicates W: 20 32.482 2.152 0.808 0.916 1.000 0.737 CB 1.353 21 residues pruned to eliminate duplicates X: 14 11.562 1.746 0.693 0.558 0.923 0.385 CB 1.111 Y: 29 17.863 1.943 0.787 0.498 0.821 0.607 CA 1.186 Z: 11 13.316 2.152 0.138 0.838 0.900 0.800 CB 1.428 11 residues pruned to eliminate duplicates Z: 20 29.653 2.179 0.650 0.920 1.000 0.789 CB 1.332 20 residues pruned to eliminate duplicates Z: 16 9.737 1.966 0.299 0.401 0.867 0.533 CB 1.261 Z: 10 18.831 2.117 0.518 0.834 1.000 0.778 CA 1.463 Z: 17 8.875 1.957 0.571 0.321 0.750 0.438 CB 1.172 Z: 20 25.936 2.078 0.603 0.880 1.000 0.737 CB 1.295 20 residues pruned to eliminate duplicates Z: 20 34.858 2.230 0.549 0.941 1.000 1.000 CB 1.607 20 residues pruned to eliminate duplicates Z: 9 20.431 2.168 0.837 0.893 0.875 0.500 CB 1.488 Z: 17 24.880 2.230 0.567 0.842 0.938 0.562 CB 1.416 17 residues pruned to eliminate duplicates Z: 21 40.321 2.259 0.637 0.933 1.000 0.800 CA 1.702 21 residues pruned to eliminate duplicates Z: 12 10.855 1.979 0.325 0.607 0.818 0.545 CB 1.378 11 residues pruned to eliminate duplicates Z: 20 9.114 2.000 0.172 0.325 0.842 0.316 CB 1.283 17 residues pruned to eliminate duplicates Z: 25 17.746 2.011 0.562 0.419 0.875 0.542 CA 1.435 10 residues pruned to eliminate duplicates Z: 18 16.704 1.968 0.618 0.480 0.882 0.588 CA 1.471 15 residues pruned to eliminate duplicates Z: 11 19.335 2.011 0.373 0.881 1.000 0.800 CB 1.604 11 residues pruned to eliminate duplicates Z: 21 43.535 2.194 0.838 0.913 1.000 0.600 CB 1.708 23 residues pruned to eliminate duplicates Z: 22 16.548 1.953 0.536 0.381 0.857 0.476 CA 1.593 22 residues pruned to eliminate duplicates Z: 21 18.658 2.260 0.721 0.361 0.850 0.500 CA 1.466 Z: 15 14.589 1.911 0.837 0.376 0.857 0.500 N 1.479 Z: 7 4.085 1.640 0.354 0.399 1.000 0.500 CB 0.835 Z: 38 22.802 2.058 0.427 0.466 0.892 0.568 CA 1.481 11 residues pruned to eliminate duplicates Z: 15 10.172 1.792 0.515 0.611 0.714 0.571 CA 1.262 15 residues pruned to eliminate duplicates Z: 13 11.091 2.166 0.599 0.374 0.750 0.500 CA 1.410 13 residues pruned to eliminate duplicates Z: 11 21.539 2.045 0.751 0.909 0.900 0.600 CA 1.500 9 residues pruned to eliminate duplicates Z: 42 25.976 2.017 0.478 0.547 0.902 0.488 CA 1.440 42 residues pruned to eliminate duplicates Z: 20 41.628 2.217 0.787 0.924 1.000 0.737 CB 1.694 20 residues pruned to eliminate duplicates Z: 22 33.882 2.138 0.481 0.902 1.000 0.762 CA 1.666 22 residues pruned to eliminate duplicates Z: 23 36.386 2.079 0.575 0.899 1.000 0.909 CA 1.694 21 residues pruned to eliminate duplicates Z: 23 44.024 2.175 0.758 0.901 1.000 0.773 CA 1.752 23 residues pruned to eliminate duplicates Z: 11 13.928 1.934 0.591 0.686 1.000 0.700 CB 1.207 11 residues pruned to eliminate duplicates Z: 9 6.426 2.137 0.145 0.405 0.875 0.500 CB 1.173 9 residues pruned to eliminate duplicates Z: 50 45.657 2.199 0.775 0.629 0.918 0.531 CA 1.611 29 residues pruned to eliminate duplicates Z: 13 16.179 1.855 0.611 0.856 1.000 0.833 CB 1.153 13 residues pruned to eliminate duplicates Z: 22 35.466 2.177 0.612 0.922 1.000 0.762 CA 1.551 22 residues pruned to eliminate duplicates Z: 19 28.244 2.158 0.517 0.885 1.000 0.722 CB 1.467 19 residues pruned to eliminate duplicates Z: 20 32.973 2.118 0.631 0.869 0.947 0.684 CB 1.689 20 residues pruned to eliminate duplicates Z: 65 40.387 2.152 0.549 0.578 0.922 0.547 CB 1.525 65 residues pruned to eliminate duplicates Z: 21 37.264 2.232 0.630 0.876 1.000 0.550 CB 1.665 21 residues pruned to eliminate duplicates Z: 8 17.226 2.205 0.597 0.695 1.000 0.857 CA 1.548 9 residues pruned to eliminate duplicates Z: 35 19.666 2.007 0.512 0.465 0.824 0.588 CA 1.398 35 residues pruned to eliminate duplicates Z: 11 12.570 1.749 0.638 0.710 0.900 0.600 CA 1.275 11 residues pruned to eliminate duplicates Z: 71 46.558 2.216 0.622 0.539 0.943 0.557 CA 1.580 86 residues pruned to eliminate duplicates Z: 9 16.071 1.893 0.693 0.845 1.000 0.750 CB 1.318 9 residues pruned to eliminate duplicates Z: 38 20.992 1.962 0.557 0.488 0.892 0.486 CB 1.282 38 residues pruned to eliminate duplicates Z: 25 12.108 1.659 0.457 0.529 0.875 0.500 CB 1.135 25 residues pruned to eliminate duplicates Z: 37 23.707 2.055 0.390 0.510 0.917 0.694 CA 1.494 38 residues pruned to eliminate duplicates Z: 22 11.256 1.985 0.223 0.337 0.952 0.524 CB 1.270 Z: 21 38.730 2.153 0.741 0.909 1.000 0.700 CB 1.640 21 residues pruned to eliminate duplicates Z: 40 23.083 2.040 0.578 0.408 0.872 0.487 CA 1.450 45 residues pruned to eliminate duplicates Z: 22 31.490 2.193 0.353 0.911 1.000 0.857 CB 1.641 22 residues pruned to eliminate duplicates Z: 15 12.514 1.887 0.580 0.353 0.857 0.571 CA 1.534 15 residues pruned to eliminate duplicates Z: 46 33.344 2.103 0.553 0.626 0.911 0.667 CA 1.483 48 residues pruned to eliminate duplicates Z: 14 5.737 1.803 0.236 0.530 0.769 0.385 CB 0.901 6 residues pruned to eliminate duplicates Z: 22 25.597 2.008 0.488 0.861 1.000 0.714 CB 1.374 22 residues pruned to eliminate duplicates Z: 30 23.965 2.071 0.353 0.675 0.966 0.724 CA 1.399 10 residues pruned to eliminate duplicates Z: 11 13.945 2.081 0.484 0.782 0.800 0.600 CB 1.392 11 residues pruned to eliminate duplicates Z: 43 21.186 1.949 0.428 0.493 0.929 0.595 CA 1.274 43 residues pruned to eliminate duplicates Z: 13 9.965 2.024 0.155 0.403 0.917 0.583 CB 1.487 13 residues pruned to eliminate duplicates Z: 24 19.660 2.010 0.651 0.350 0.957 0.565 CA 1.519 20 residues pruned to eliminate duplicates Z: 14 11.721 2.030 0.775 0.433 0.769 0.615 CA 1.256 14 residues pruned to eliminate duplicates Z: 23 41.998 2.106 0.811 0.919 1.000 0.591 CA 1.655 23 residues pruned to eliminate duplicates Z: 10 13.830 1.865 0.804 0.859 0.889 0.778 CB 1.135 10 residues pruned to eliminate duplicates Z: 9 9.575 1.925 0.114 0.840 1.000 0.750 CB 1.178 10 residues pruned to eliminate duplicates Z: 12 15.930 1.979 0.343 0.839 1.000 0.818 CB 1.350 12 residues pruned to eliminate duplicates Z: 9 10.214 1.807 0.494 0.833 0.875 0.750 CA 1.147 9 residues pruned to eliminate duplicates Z: 19 26.540 2.027 0.606 0.904 1.000 0.833 CA 1.370 18 residues pruned to eliminate duplicates Z: 21 16.182 2.026 0.507 0.408 0.850 0.600 CA 1.535 21 residues pruned to eliminate duplicates Z: 19 25.647 2.144 0.507 0.880 1.000 0.778 CB 1.356 19 residues pruned to eliminate duplicates Z: 12 17.901 1.918 0.413 0.876 1.000 0.818 CA 1.447 12 residues pruned to eliminate duplicates Z: 9 13.231 2.180 0.111 0.835 1.000 0.750 CA 1.447 9 residues pruned to eliminate duplicates Z: 43 19.214 1.983 0.508 0.348 0.786 0.429 CA 1.488 43 residues pruned to eliminate duplicates Z: 15 7.210 1.790 0.299 0.315 0.857 0.571 CB 1.186 15 residues pruned to eliminate duplicates Z: 22 11.087 2.039 0.480 0.398 0.714 0.381 CB 1.251 3 residues pruned to eliminate duplicates Z: 22 29.642 2.132 0.457 0.877 1.000 0.857 CB 1.511 22 residues pruned to eliminate duplicates Z: 9 14.205 1.826 0.487 0.885 1.000 0.750 CB 1.335 9 residues pruned to eliminate duplicates Z: 21 32.560 2.069 0.635 0.865 0.950 0.550 CB 1.660 21 residues pruned to eliminate duplicates Z: 37 22.043 2.040 0.408 0.476 0.889 0.472 CB 1.475 37 residues pruned to eliminate duplicates Z: 26 21.152 2.041 0.747 0.391 0.920 0.520 CB 1.447 24 residues pruned to eliminate duplicates Z: 14 9.643 2.087 -0.032 0.423 0.923 0.615 CA 1.554 Z: 6 7.892 1.780 0.230 0.847 1.000 0.800 CA 1.197 11 residues pruned to eliminate duplicates Z: 14 8.924 1.940 0.168 0.425 0.923 0.615 CB 1.279 14 residues pruned to eliminate duplicates Z: 11 7.861 1.750 0.256 0.396 1.000 0.500 CA 1.262 11 residues pruned to eliminate duplicates Z: 22 37.072 2.166 0.650 0.929 0.952 0.571 CA 1.664 22 residues pruned to eliminate duplicates Z: 19 22.486 2.038 0.501 0.910 0.944 0.611 CA 1.301 18 residues pruned to eliminate duplicates Z: 8 2.718 1.289 0.652 0.219 0.714 0.429 CB 0.939 Z: 11 9.469 1.910 0.395 0.449 0.900 0.500 CB 1.316 Z: 56 35.753 2.098 0.641 0.523 0.909 0.473 CB 1.506 76 residues pruned to eliminate duplicates Z: 16 15.778 1.930 0.356 0.846 1.000 0.733 CA 1.157 16 residues pruned to eliminate duplicates Z: 11 7.680 1.745 0.130 0.528 1.000 0.600 CB 1.198 11 residues pruned to eliminate duplicates Z: 17 18.444 2.204 0.103 0.860 1.000 0.812 CB 1.394 Z: 74 44.227 2.180 0.575 0.569 0.932 0.644 CB 1.514 74 residues pruned to eliminate duplicates Z: 6 12.155 2.034 0.844 0.818 1.000 1.000 CA 1.100 6 residues pruned to eliminate duplicates Z: 98 47.961 2.146 0.595 0.575 0.866 0.546 CB 1.529 90 residues pruned to eliminate duplicates Z: 33 20.203 1.993 0.544 0.436 0.969 0.625 CB 1.280 33 residues pruned to eliminate duplicates Z: 23 18.971 2.083 0.513 0.410 0.955 0.682 CA 1.478 23 residues pruned to eliminate duplicates Z: 36 15.063 2.001 0.183 0.358 0.914 0.400 CB 1.372 35 residues pruned to eliminate duplicates Z: 12 13.558 2.034 0.834 0.423 0.818 0.636 CB 1.451 12 residues pruned to eliminate duplicates Z: 8 6.764 1.860 0.269 0.412 0.857 0.571 CB 1.386 8 residues pruned to eliminate duplicates Z: 19 30.820 2.205 0.641 0.898 1.000 0.833 CB 1.437 19 residues pruned to eliminate duplicates Z: 10 14.957 1.827 0.633 0.858 0.889 0.889 CA 1.385 11 residues pruned to eliminate duplicates Z: 19 28.679 2.069 0.768 0.922 1.000 0.722 CA 1.299 19 residues pruned to eliminate duplicates Z: 7 5.661 1.833 0.131 0.559 1.000 0.667 CB 1.052 Z: 24 16.917 2.049 0.590 0.375 0.870 0.522 CA 1.424 24 residues pruned to eliminate duplicates Z: 11 6.917 1.514 1.180 0.236 0.900 0.600 CA 1.001 Z: 40 22.592 2.017 0.420 0.463 0.897 0.487 CB 1.462 40 residues pruned to eliminate duplicates Z: 8 4.275 1.843 0.273 0.320 0.714 0.571 CA 1.176 8 residues pruned to eliminate duplicates Z: 7 6.362 1.835 0.349 0.636 0.833 0.667 CB 1.108 7 residues pruned to eliminate duplicates Z: 9 18.307 2.176 0.567 0.842 1.000 0.875 CB 1.415 9 residues pruned to eliminate duplicates Z: 18 11.289 1.884 0.611 0.333 0.824 0.588 CA 1.314 18 residues pruned to eliminate duplicates Z: 23 43.693 2.079 0.864 0.932 1.000 0.455 CB 1.678 23 residues pruned to eliminate duplicates Z: 7 10.681 2.000 0.366 0.832 1.000 0.833 CA 1.198 7 residues pruned to eliminate duplicates Z: 10 13.174 2.063 0.301 0.738 0.889 0.778 CA 1.487 10 residues pruned to eliminate duplicates Z: 24 17.418 2.044 0.631 0.388 0.826 0.565 CA 1.484 24 residues pruned to eliminate duplicates Z: 8 3.060 1.537 0.426 0.203 0.714 0.429 CA 1.051 8 residues pruned to eliminate duplicates Z: 26 16.723 2.041 0.345 0.399 0.920 0.600 CA 1.473 26 residues pruned to eliminate duplicates Z: 22 20.993 1.938 0.632 0.620 0.905 0.714 CB 1.429 22 residues pruned to eliminate duplicates Z: 6 9.390 1.996 1.036 0.374 1.000 0.800 CB 1.182 7 residues pruned to eliminate duplicates Z: 22 40.630 2.146 0.779 0.919 1.000 0.667 CB 1.636 22 residues pruned to eliminate duplicates Z: 7 3.495 1.395 -0.070 0.505 1.000 0.667 CA 1.095 Z: 15 10.879 2.130 0.614 0.285 0.929 0.429 CA 1.159 15 residues pruned to eliminate duplicates Z: 13 4.382 1.565 0.455 0.204 0.917 0.500 CB 0.860 13 residues pruned to eliminate duplicates Z: 10 12.168 1.754 0.720 0.797 0.889 0.667 CA 1.167 10 residues pruned to eliminate duplicates Z: 28 19.245 2.023 0.517 0.480 0.926 0.630 CA 1.330 28 residues pruned to eliminate duplicates Z: 19 17.734 1.994 0.433 0.440 0.944 0.500 CA 1.648 20 residues pruned to eliminate duplicates Z: 6 6.816 1.553 0.352 0.679 1.000 0.600 C 1.231 6 residues pruned to eliminate duplicates Z: 30 21.037 2.076 0.399 0.456 0.897 0.517 CA 1.570 30 residues pruned to eliminate duplicates Z: 12 14.809 1.927 0.561 0.765 0.818 0.545 CB 1.434 12 residues pruned to eliminate duplicates Z: 35 17.665 1.916 0.400 0.396 0.882 0.676 CB 1.429 35 residues pruned to eliminate duplicates Z: 22 33.484 2.128 0.541 0.918 1.000 0.857 CA 1.571 22 residues pruned to eliminate duplicates Z: 7 9.419 1.811 0.595 0.709 1.000 0.833 CB 1.100 7 residues pruned to eliminate duplicates Z: 10 2.297 1.572 0.089 0.439 0.778 0.444 CB 0.612 Z: 12 8.267 1.784 0.520 0.398 0.818 0.455 CB 1.251 12 residues pruned to eliminate duplicates Z: 44 29.223 2.159 0.629 0.444 0.930 0.558 CB 1.442 44 residues pruned to eliminate duplicates Z: 19 20.262 2.070 0.365 0.885 0.944 0.611 CA 1.292 19 residues pruned to eliminate duplicates Z: 20 36.509 2.197 0.640 0.910 1.000 0.684 CA 1.649 20 residues pruned to eliminate duplicates Z: 16 9.415 1.872 0.504 0.436 0.733 0.467 CB 1.258 16 residues pruned to eliminate duplicates Z: 7 7.722 1.685 0.627 0.680 0.833 0.167 CA 1.169 3 residues pruned to eliminate duplicates Z: 22 9.327 1.895 0.443 0.340 0.810 0.429 CB 1.095 17 residues pruned to eliminate duplicates Z: 15 14.600 2.049 0.753 0.383 0.857 0.571 CB 1.435 12 residues pruned to eliminate duplicates Z: 20 14.855 1.939 0.210 0.519 0.895 0.474 N 1.594 20 residues pruned to eliminate duplicates Z: 16 16.799 2.004 0.331 0.878 1.000 0.600 CA 1.180 16 residues pruned to eliminate duplicates Z: 14 7.416 1.755 0.320 0.401 0.846 0.462 CB 1.164 14 residues pruned to eliminate duplicates Z: 9 9.412 1.911 0.513 0.797 0.750 0.500 CA 1.183 9 residues pruned to eliminate duplicates Z: 8 10.942 1.709 0.334 0.790 1.000 0.857 CB 1.407 Z: 40 14.482 1.930 0.265 0.318 0.923 0.410 CB 1.257 38 residues pruned to eliminate duplicates Z: 21 24.764 1.989 0.544 0.932 1.000 0.600 CA 1.259 21 residues pruned to eliminate duplicates Z: 21 42.533 2.153 0.885 0.942 1.000 0.300 CB 1.626 21 residues pruned to eliminate duplicates Z: 11 12.579 1.989 0.473 0.770 0.900 0.800 CB 1.188 11 residues pruned to eliminate duplicates Z: 9 6.290 1.921 0.368 0.517 0.875 0.750 CB 0.951 9 residues pruned to eliminate duplicates Z: 16 7.355 1.935 0.389 0.377 0.733 0.333 CB 1.098 16 residues pruned to eliminate duplicates Z: 14 26.702 2.172 0.971 0.920 0.923 0.462 CA 1.320 14 residues pruned to eliminate duplicates Z: 14 6.952 1.765 0.129 0.442 0.923 0.308 CB 1.113 Z: 21 44.242 2.259 0.905 0.920 0.950 0.550 CB 1.705 21 residues pruned to eliminate duplicates Z: 46 30.022 2.067 0.429 0.568 0.933 0.622 CA 1.521 46 residues pruned to eliminate duplicates Z: 16 12.644 2.016 0.252 0.468 0.933 0.400 CA 1.432 16 residues pruned to eliminate duplicates Z: 9 12.304 1.934 0.356 0.594 1.000 0.625 CA 1.516 7 residues pruned to eliminate duplicates Z: 53 47.049 2.226 0.849 0.635 0.923 0.558 CB 1.513 53 residues pruned to eliminate duplicates Z: 11 7.597 1.725 0.540 0.408 0.800 0.600 CA 1.245 11 residues pruned to eliminate duplicates Z: 20 18.378 1.961 0.250 0.862 0.947 0.579 CA 1.333 20 residues pruned to eliminate duplicates Z: 53 40.667 2.142 0.623 0.654 0.923 0.673 CB 1.522 54 residues pruned to eliminate duplicates Z: 10 9.654 1.864 0.584 0.534 0.778 0.333 CB 1.355 10 residues pruned to eliminate duplicates Z: 10 10.245 1.867 0.400 0.572 1.000 0.889 CA 1.219 Z: 10 10.604 1.704 0.507 0.793 0.889 0.667 CB 1.197 10 residues pruned to eliminate duplicates Z: 14 14.466 1.921 0.503 0.538 0.923 0.692 CB 1.449 Z: 16 9.259 1.747 0.442 0.556 0.933 0.600 CB 0.963 14 residues pruned to eliminate duplicates Z: 21 17.260 2.063 0.440 0.518 0.850 0.550 CB 1.502 21 residues pruned to eliminate duplicates Z: 8 6.429 1.929 0.061 0.469 1.000 0.429 CB 1.226 8 residues pruned to eliminate duplicates Z: 7 11.661 1.969 0.387 0.608 1.000 0.667 CB 1.574 7 residues pruned to eliminate duplicates Z: 10 5.402 1.895 0.046 0.543 0.778 0.556 CB 1.120 10 residues pruned to eliminate duplicates Z: 6 5.477 1.909 0.198 0.292 1.000 0.600 CA 1.353 6 residues pruned to eliminate duplicates Z: 12 12.861 1.979 0.477 0.826 0.909 0.545 CB 1.100 12 residues pruned to eliminate duplicates Z: 24 15.068 1.961 0.519 0.362 0.870 0.522 CA 1.406 24 residues pruned to eliminate duplicates Z: 6 6.612 1.795 0.500 0.471 0.800 0.600 O 1.414 Z: 16 7.130 1.765 0.126 0.505 0.933 0.600 CB 0.988 8 residues pruned to eliminate duplicates Z: 10 8.861 1.913 0.361 0.521 1.000 0.667 CA 1.111 10 residues pruned to eliminate duplicates Z: 10 5.200 1.614 0.677 0.313 0.667 0.444 CB 1.182 10 residues pruned to eliminate duplicates Z: 18 9.517 1.899 0.312 0.338 0.765 0.529 CB 1.446 19 residues pruned to eliminate duplicates Z: 8 3.420 1.529 0.468 0.349 0.571 0.429 CA 1.186 Z: 9 7.287 1.773 -0.109 0.640 1.000 0.625 CB 1.432 9 residues pruned to eliminate duplicates Z: 20 27.219 2.136 0.690 0.832 0.842 0.474 CA 1.542 20 residues pruned to eliminate duplicates Z: 19 7.866 1.885 0.246 0.334 0.722 0.556 CB 1.311 17 residues pruned to eliminate duplicates Z: 8 5.010 1.889 0.097 0.531 0.714 0.286 CA 1.241 8 residues pruned to eliminate duplicates Z: 12 14.455 1.880 0.238 0.846 1.000 1.000 CB 1.392 12 residues pruned to eliminate duplicates Z: 23 14.330 1.978 0.633 0.346 0.864 0.455 CB 1.294 29 residues pruned to eliminate duplicates Z: 21 18.681 1.881 0.606 0.916 0.950 0.900 CA 1.028 21 residues pruned to eliminate duplicates Z: 19 42.435 2.198 1.129 0.910 0.944 0.278 CB 1.605 19 residues pruned to eliminate duplicates Z: 15 8.421 1.817 0.278 0.457 0.857 0.500 CA 1.182 15 residues pruned to eliminate duplicates Z: 7 9.730 1.913 0.409 0.723 1.000 0.667 CB 1.205 Z: 10 4.736 1.652 -0.004 0.392 1.000 0.667 CB 1.075 10 residues pruned to eliminate duplicates Z: 19 14.467 2.036 0.492 0.314 1.000 0.500 CA 1.380 19 residues pruned to eliminate duplicates Z: 6 4.519 1.747 -0.100 0.659 1.000 0.800 CB 1.109 Z: 14 6.736 1.865 0.351 0.329 0.769 0.308 CB 1.163 14 residues pruned to eliminate duplicates Z: 10 7.623 1.868 0.189 0.439 0.889 0.667 CB 1.371 9 residues pruned to eliminate duplicates Z: 22 46.218 2.240 0.951 0.936 0.952 0.762 CA 1.687 22 residues pruned to eliminate duplicates Z: 38 14.201 1.928 0.245 0.324 0.838 0.459 CB 1.409 38 residues pruned to eliminate duplicates Z: 17 8.931 1.877 0.329 0.465 0.812 0.625 CB 1.141 17 residues pruned to eliminate duplicates Z: 13 8.565 1.734 0.447 0.572 1.000 0.667 CB 0.919 13 residues pruned to eliminate duplicates Z: 12 9.696 1.891 0.431 0.583 0.909 0.818 CA 1.097 12 residues pruned to eliminate duplicates Z: 6 8.922 1.829 0.537 0.657 1.000 0.800 CB 1.227 6 residues pruned to eliminate duplicates Z: 9 2.612 1.577 0.213 0.308 0.750 0.375 CB 0.797 Z: 6 6.910 1.519 0.287 0.777 1.000 1.000 C 1.237 5 residues pruned to eliminate duplicates Z: 12 12.882 1.925 0.159 0.639 1.000 0.545 N 1.528 9 residues pruned to eliminate duplicates Z: 7 8.483 2.015 0.894 0.475 0.833 0.667 CB 1.117 7 residues pruned to eliminate duplicates Z: 22 31.470 2.200 0.373 0.901 1.000 0.667 CA 1.623 22 residues pruned to eliminate duplicates Z: 31 28.311 2.079 0.507 0.584 0.967 0.667 CA 1.575 31 residues pruned to eliminate duplicates Z: 12 10.499 1.981 0.292 0.514 0.909 0.818 CA 1.341 12 residues pruned to eliminate duplicates Z: 13 12.919 1.948 0.587 0.387 1.000 0.667 CA 1.359 15 residues pruned to eliminate duplicates Z: 6 6.127 1.856 -0.271 0.754 1.000 0.600 O 1.615 9 residues pruned to eliminate duplicates Z: 8 3.256 1.588 0.132 0.350 0.714 0.571 CB 1.127 Z: 10 13.349 1.926 0.296 0.854 1.000 1.000 CA 1.316 10 residues pruned to eliminate duplicates Z: 10 5.213 1.718 0.647 0.442 0.778 0.333 CB 0.838 10 residues pruned to eliminate duplicates Z: 15 10.478 1.974 0.289 0.549 0.857 0.714 CA 1.223 15 residues pruned to eliminate duplicates Z: 10 8.664 1.848 0.410 0.538 0.889 0.889 CA 1.202 10 residues pruned to eliminate duplicates Z: 8 16.181 2.211 0.498 0.842 0.857 0.429 CB 1.605 8 residues pruned to eliminate duplicates Z: 26 15.861 1.951 0.406 0.363 0.960 0.560 CB 1.396 31 residues pruned to eliminate duplicates Z: 58 33.775 2.128 0.551 0.524 0.912 0.667 CB 1.452 57 residues pruned to eliminate duplicates Z: 13 7.777 1.851 0.364 0.315 0.750 0.333 CA 1.455 Z: 9 7.077 1.826 0.101 0.650 1.000 0.750 CA 1.081 9 residues pruned to eliminate duplicates Z: 35 20.965 2.001 0.635 0.425 0.824 0.382 CB 1.444 46 residues pruned to eliminate duplicates Z: 20 11.386 1.911 0.182 0.476 0.789 0.474 N 1.500 20 residues pruned to eliminate duplicates Z: 9 4.412 1.502 0.700 0.184 0.875 0.625 CB 1.021 Z: 16 15.321 2.146 0.509 0.398 0.867 0.467 CA 1.570 16 residues pruned to eliminate duplicates Z: 11 9.125 1.864 0.256 0.842 1.000 0.500 CB 0.919 11 residues pruned to eliminate duplicates Z: 21 18.368 2.034 0.277 0.802 0.900 0.600 CB 1.350 21 residues pruned to eliminate duplicates 6 1.489 1.408 0.105 0.317 0.600 0.400 CB 0.873 ? Z: 8 5.675 1.308 0.483 0.584 0.857 0.714 N 1.190 Z: 14 2.556 1.230 0.218 0.167 0.769 0.385 CB 0.921 14 residues pruned to eliminate duplicates Z: 17 20.271 1.878 0.787 0.875 0.938 0.812 CA 1.172 16 residues pruned to eliminate duplicates Z: 25 15.884 1.982 0.571 0.465 0.833 0.583 CB 1.295 25 residues pruned to eliminate duplicates Z: 13 7.487 1.774 0.440 0.426 0.833 0.417 CB 1.097 13 residues pruned to eliminate duplicates Z: 27 15.837 1.988 0.578 0.437 0.808 0.346 CB 1.308 27 residues pruned to eliminate duplicates Z: 19 11.172 2.043 0.401 0.332 0.833 0.556 CA 1.326 19 residues pruned to eliminate duplicates Z: 11 20.670 2.042 0.983 0.821 0.800 0.800 CB 1.527 11 residues pruned to eliminate duplicates Z: 20 17.117 1.979 0.435 0.569 0.895 0.789 CA 1.445 20 residues pruned to eliminate duplicates Z: 12 6.949 1.784 0.156 0.454 0.818 0.455 CB 1.302 Z: 17 9.216 1.958 0.144 0.383 0.812 0.562 CB 1.434 17 residues pruned to eliminate duplicates Z: 15 9.937 1.805 0.500 0.388 0.929 0.571 CA 1.189 15 residues pruned to eliminate duplicates Z: 7 3.576 1.652 0.508 0.367 0.833 0.500 CB 0.811 Z: 6 5.135 1.730 0.518 0.593 0.800 0.800 CA 0.999 6 residues pruned to eliminate duplicates Z: 20 15.632 1.927 0.357 0.493 0.895 0.474 N 1.543 20 residues pruned to eliminate duplicates Z: 72 52.061 2.198 0.684 0.576 0.972 0.690 CB 1.597 72 residues pruned to eliminate duplicates Z: 19 6.206 1.738 0.097 0.380 0.778 0.556 CB 1.122 9 residues pruned to eliminate duplicates Z: 17 12.145 1.898 0.295 0.421 0.938 0.562 CB 1.430 17 residues pruned to eliminate duplicates Z: 10 7.700 2.044 0.319 0.303 0.889 0.556 CB 1.332 10 residues pruned to eliminate duplicates Z: 10 16.440 2.058 0.792 0.642 0.889 0.889 CA 1.463 10 residues pruned to eliminate duplicates Z: 11 5.989 1.820 0.339 0.458 0.700 0.500 CB 1.159 11 residues pruned to eliminate duplicates Z: 22 14.192 1.996 0.308 0.403 0.810 0.429 CA 1.623 22 residues pruned to eliminate duplicates Z: 32 17.392 2.020 0.237 0.354 0.968 0.484 CB 1.514 33 residues pruned to eliminate duplicates Z: 9 10.740 1.934 0.545 0.492 0.875 0.750 CB 1.464 9 residues pruned to eliminate duplicates Z: 11 18.568 1.994 0.756 0.777 0.900 0.300 CB 1.458 11 residues pruned to eliminate duplicates Z: 12 11.184 1.986 0.300 0.644 0.909 0.636 CA 1.255 10 residues pruned to eliminate duplicates Z: 10 14.309 2.004 0.661 0.690 0.889 0.889 CB 1.354 10 residues pruned to eliminate duplicates Z: 21 31.436 2.273 0.380 0.928 0.950 0.900 CA 1.652 21 residues pruned to eliminate duplicates Z: 34 36.672 2.127 0.775 0.653 0.970 0.606 CA 1.512 33 residues pruned to eliminate duplicates Z: 23 21.399 2.046 0.524 0.560 0.909 0.636 CA 1.520 24 residues pruned to eliminate duplicates Z: 18 15.815 2.061 0.115 0.821 0.941 0.824 CB 1.342 18 residues pruned to eliminate duplicates Z: 15 11.687 2.008 0.011 0.497 0.929 0.500 CA 1.662 15 residues pruned to eliminate duplicates Z: 20 26.646 2.025 0.683 0.914 0.947 0.526 CA 1.339 20 residues pruned to eliminate duplicates Z: 19 11.398 1.834 0.254 0.424 0.833 0.333 CB 1.518 19 residues pruned to eliminate duplicates Z: 10 4.794 1.595 0.388 0.471 0.889 0.667 CB 0.836 6 residues pruned to eliminate duplicates Z: 6 2.441 1.504 0.304 0.601 0.800 0.400 N 0.632 Z: 16 11.202 2.050 0.483 0.456 0.733 0.467 CB 1.357 16 residues pruned to eliminate duplicates Z: 7 4.947 1.815 0.284 0.535 0.833 0.333 CB 1.004 7 residues pruned to eliminate duplicates Z: 7 2.704 1.317 0.144 0.416 1.000 0.667 CA 0.800 7 residues pruned to eliminate duplicates Z: 16 8.536 1.917 0.172 0.468 0.733 0.667 CA 1.383 17 residues pruned to eliminate duplicates Z: 19 16.737 1.989 0.226 0.867 0.944 0.778 CA 1.253 19 residues pruned to eliminate duplicates Z: 55 41.974 2.204 0.607 0.633 0.926 0.574 CB 1.537 55 residues pruned to eliminate duplicates Z: 8 4.556 1.846 0.237 0.431 0.857 0.571 CA 0.945 8 residues pruned to eliminate duplicates Z: 29 14.302 1.947 0.203 0.389 0.857 0.464 CA 1.515 29 residues pruned to eliminate duplicates Z: 27 13.329 1.944 0.577 0.390 0.731 0.423 CB 1.311 27 residues pruned to eliminate duplicates Z: 6 8.112 1.773 0.258 0.738 1.000 0.800 CA 1.313 6 residues pruned to eliminate duplicates Z: 10 9.692 2.051 0.510 0.483 0.889 0.667 CB 1.194 15 residues pruned to eliminate duplicates Z: 22 40.804 2.167 0.842 0.905 1.000 0.762 CB 1.588 22 residues pruned to eliminate duplicates Z: 54 43.350 2.149 0.632 0.652 0.943 0.547 CB 1.561 54 residues pruned to eliminate duplicates Z: 6 2.016 1.424 0.211 0.278 0.600 0.600 CA 1.120 Z: 14 15.432 2.156 0.700 0.489 0.923 0.462 CB 1.279 14 residues pruned to eliminate duplicates Z: 6 3.528 1.605 -0.036 0.550 0.800 0.600 C 1.213 Z: 18 29.497 2.231 0.722 0.874 0.882 0.529 CB 1.537 18 residues pruned to eliminate duplicates Z: 6 7.934 1.854 0.348 0.485 1.000 0.600 CB 1.441 6 residues pruned to eliminate duplicates Z: 7 6.460 1.571 0.143 0.548 1.000 0.500 CA 1.402 Z: 12 9.264 1.961 0.145 0.499 0.909 0.727 CB 1.370 12 residues pruned to eliminate duplicates Z: 15 11.396 2.103 0.313 0.400 0.929 0.571 CB 1.319 15 residues pruned to eliminate duplicates Z: 16 9.375 1.877 0.385 0.381 0.867 0.533 CB 1.219 16 residues pruned to eliminate duplicates Z: 6 11.860 1.921 0.763 0.706 1.000 0.800 CA 1.299 7 residues pruned to eliminate duplicates Z: 12 17.186 2.010 0.437 0.778 1.000 0.636 CB 1.403 12 residues pruned to eliminate duplicates Z: 9 5.407 1.756 0.109 0.442 0.750 0.625 CB 1.390 8 residues pruned to eliminate duplicates Z: 15 10.112 1.921 0.147 0.521 0.786 0.429 CB 1.529 15 residues pruned to eliminate duplicates Z: 9 11.157 1.964 0.738 0.877 0.750 0.500 CA 1.120 9 residues pruned to eliminate duplicates Z: 25 16.345 2.055 0.634 0.269 0.917 0.458 CB 1.410 25 residues pruned to eliminate duplicates Z: 14 6.736 1.917 0.357 0.206 0.769 0.308 CB 1.322 14 residues pruned to eliminate duplicates Z: 7 3.941 1.661 0.958 0.508 0.667 0.667 CA 0.736 7 residues pruned to eliminate duplicates Z: 10 4.699 1.437 0.064 0.455 0.889 0.556 O 1.206 7 1.902 1.460 0.118 0.341 0.500 0.333 CA 1.132 ? Z: 24 12.626 1.826 0.340 0.369 0.870 0.478 CA 1.423 24 residues pruned to eliminate duplicates Z: 8 2.952 1.583 0.509 0.344 0.571 0.429 N 0.969 Z: 6 4.848 1.696 0.432 0.481 1.000 0.800 CB 0.910 Z: 8 6.538 1.786 0.805 0.538 0.714 0.714 CA 1.033 8 residues pruned to eliminate duplicates Z: 25 28.394 2.159 0.296 0.748 1.000 0.750 CB 1.659 25 residues pruned to eliminate duplicates Z: 8 5.751 1.586 0.335 0.778 1.000 1.000 CB 0.804 8 residues pruned to eliminate duplicates Z: 7 4.639 1.785 -0.023 0.436 0.833 0.500 CA 1.392 7 residues pruned to eliminate duplicates Z: 9 9.540 1.956 0.237 0.682 1.000 0.750 CA 1.179 9 residues pruned to eliminate duplicates Z: 22 41.415 2.123 0.937 0.883 0.952 0.476 CB 1.669 22 residues pruned to eliminate duplicates Z: 17 22.011 2.072 0.493 0.925 0.938 0.500 CA 1.331 17 residues pruned to eliminate duplicates Z: 15 7.577 1.873 0.140 0.422 0.857 0.571 CB 1.201 Z: 18 7.643 1.815 0.287 0.375 0.824 0.471 CB 1.101 18 residues pruned to eliminate duplicates Z: 7 3.425 1.527 0.219 0.439 0.667 0.500 N 1.199 Z: 42 16.899 1.941 0.171 0.350 0.902 0.463 CB 1.515 52 residues pruned to eliminate duplicates Z: 6 9.036 1.916 0.248 0.804 1.000 0.800 CB 1.297 6 residues pruned to eliminate duplicates Z: 8 3.052 1.343 0.479 0.333 0.857 0.571 CA 0.813 8 residues pruned to eliminate duplicates Z: 52 31.842 2.082 0.457 0.569 0.941 0.686 CA 1.460 52 residues pruned to eliminate duplicates Z: 7 2.939 1.738 0.347 0.411 0.667 0.500 CB 0.844 Z: 6 3.478 1.591 0.218 0.324 0.800 0.800 CA 1.217 Z: 7 5.529 1.684 0.139 0.688 0.833 0.500 N 1.189 Z: 9 7.735 2.071 0.142 0.390 0.875 0.500 CB 1.484 9 residues pruned to eliminate duplicates Z: 34 21.901 2.062 0.623 0.440 0.939 0.515 CA 1.290 34 residues pruned to eliminate duplicates Z: 11 16.511 2.078 0.531 0.769 0.800 0.400 CB 1.616 11 residues pruned to eliminate duplicates Z: 15 9.179 1.828 0.319 0.492 0.857 0.643 CB 1.197 15 residues pruned to eliminate duplicates Z: 10 5.512 2.016 0.438 0.470 0.889 0.667 CB 0.734 10 residues pruned to eliminate duplicates Z: 14 9.049 1.786 0.279 0.448 0.846 0.538 CB 1.370 14 residues pruned to eliminate duplicates Z: 27 15.456 1.900 0.425 0.471 0.885 0.423 CB 1.304 27 residues pruned to eliminate duplicates Z: 6 4.230 1.872 0.528 0.372 0.600 0.400 CB 1.265 Z: 19 13.578 1.781 0.383 0.606 0.944 0.611 CA 1.244 19 residues pruned to eliminate duplicates Z: 22 12.242 1.947 0.449 0.336 0.952 0.381 CB 1.189 35 residues pruned to eliminate duplicates Z: 14 12.302 1.970 0.341 0.425 1.000 0.462 CA 1.396 14 residues pruned to eliminate duplicates Z: 20 11.361 1.884 0.355 0.412 0.895 0.632 CB 1.252 20 residues pruned to eliminate duplicates Z: 23 32.563 2.009 0.855 0.895 0.818 0.273 CB 1.632 23 residues pruned to eliminate duplicates Z: 12 4.715 1.711 0.183 0.404 0.818 0.636 CB 0.950 12 residues pruned to eliminate duplicates Z: 35 17.857 1.869 0.545 0.402 0.824 0.441 CA 1.429 35 residues pruned to eliminate duplicates Z: 7 9.206 1.885 0.128 0.667 1.000 0.500 N 1.515 7 residues pruned to eliminate duplicates Z: 22 35.818 2.146 0.460 0.910 1.000 0.810 CA 1.768 22 residues pruned to eliminate duplicates Z: 14 8.742 1.979 0.141 0.399 0.769 0.538 CA 1.552 14 residues pruned to eliminate duplicates Z: 10 4.346 1.920 0.229 0.245 0.889 0.222 CA 0.927 10 residues pruned to eliminate duplicates Z: 8 2.938 1.504 0.044 0.347 0.714 0.286 CB 1.169 Z: 25 15.792 1.946 0.567 0.480 0.875 0.708 CB 1.233 35 residues pruned to eliminate duplicates Z: 7 9.560 1.579 1.035 0.712 0.833 0.500 N 1.202 Z: 18 26.332 2.153 0.710 0.885 1.000 0.765 CB 1.253 25 residues pruned to eliminate duplicates Z: 35 16.281 1.953 0.280 0.343 0.912 0.559 CB 1.452 35 residues pruned to eliminate duplicates Z: 24 18.586 2.092 0.432 0.442 0.913 0.609 CA 1.504 24 residues pruned to eliminate duplicates Z: 7 7.730 2.008 -0.087 0.690 1.000 0.667 CB 1.447 7 residues pruned to eliminate duplicates Z: 20 43.304 2.311 0.837 0.903 1.000 0.737 CA 1.668 20 residues pruned to eliminate duplicates Z: 7 3.249 1.091 0.362 0.752 0.833 0.833 N 0.856 Z: 15 8.862 1.873 0.229 0.467 0.857 0.643 CB 1.241 15 residues pruned to eliminate duplicates Z: 13 9.268 1.707 0.418 0.547 0.833 0.500 N 1.266 13 residues pruned to eliminate duplicates Z: 11 14.343 1.670 0.750 0.873 1.000 0.800 CA 1.131 10 residues pruned to eliminate duplicates Z: 8 3.770 1.443 0.437 0.312 0.857 0.286 CB 0.987 Z: 37 28.015 2.087 0.531 0.519 0.972 0.583 CB 1.475 37 residues pruned to eliminate duplicates Z: 13 13.061 2.030 0.114 0.848 1.000 0.667 CB 1.238 13 residues pruned to eliminate duplicates Z: 26 19.569 1.834 0.654 0.607 0.800 0.520 CB 1.457 26 residues pruned to eliminate duplicates Z: 8 2.414 1.563 -0.016 0.483 0.857 0.429 CB 0.705 Z: 24 9.712 1.894 0.482 0.254 0.783 0.478 CA 1.223 24 residues pruned to eliminate duplicates Z: 6 4.482 1.868 0.392 0.477 0.600 0.600 CA 1.314 7 residues pruned to eliminate duplicates Z: 9 7.100 1.899 0.106 0.400 1.000 0.625 CB 1.329 9 residues pruned to eliminate duplicates Z: 8 2.879 1.297 0.387 0.277 0.857 0.429 CB 0.909 Z: 25 35.918 2.067 0.663 0.832 1.000 0.875 CA 1.601 25 residues pruned to eliminate duplicates Z: 8 2.562 1.425 0.208 0.308 0.857 0.571 CB 0.812 Z: 15 14.490 1.911 0.330 0.527 1.000 0.643 CA 1.484 15 residues pruned to eliminate duplicates Z: 11 6.691 1.673 0.561 0.120 1.000 0.200 CA 1.306 11 residues pruned to eliminate duplicates Z: 8 5.391 1.781 0.336 0.510 1.000 0.571 CA 0.848 8 residues pruned to eliminate duplicates Z: 6 2.457 1.335 -0.071 0.482 1.000 0.600 CA 0.903 Z: 6 4.922 1.764 0.009 0.820 1.000 0.800 CB 0.936 6 residues pruned to eliminate duplicates 6 1.805 1.145 0.183 0.701 0.600 0.400 CA 0.827 ? Z: 17 7.859 1.774 0.387 0.336 0.875 0.562 CB 1.091 17 residues pruned to eliminate duplicates Z: 9 6.353 1.677 1.304 0.430 0.750 0.500 CB 0.833 Z: 6 2.991 1.345 0.417 0.396 1.000 0.600 CA 0.783 6 residues pruned to eliminate duplicates Z: 25 17.292 2.021 0.591 0.380 0.833 0.458 CA 1.498 25 residues pruned to eliminate duplicates Z: 6 4.671 1.832 0.439 0.455 0.600 0.600 N 1.382 6 residues pruned to eliminate duplicates Z: 21 18.069 2.184 0.666 0.339 0.850 0.650 CB 1.558 21 residues pruned to eliminate duplicates Z: 11 3.608 1.496 0.375 0.319 0.600 0.400 CB 1.129 Z: 10 13.349 1.940 0.154 0.920 1.000 0.889 CA 1.401 7 residues pruned to eliminate duplicates Z: 8 3.662 1.410 0.563 0.289 0.714 0.571 N 1.115 Z: 27 16.400 1.831 0.435 0.540 0.846 0.462 CA 1.390 27 residues pruned to eliminate duplicates Z: 6 3.372 1.722 0.030 0.486 0.800 0.400 CA 1.078 6 residues pruned to eliminate duplicates Z: 8 8.769 1.913 -0.013 0.622 1.000 0.714 N 1.565 8 residues pruned to eliminate duplicates Z: 7 4.871 1.892 0.476 0.522 0.833 0.333 CA 0.836 7 residues pruned to eliminate duplicates Z: 14 14.100 2.035 0.820 0.318 0.923 0.538 CB 1.398 14 residues pruned to eliminate duplicates Z: 6 3.578 1.595 0.020 0.768 0.800 0.600 CA 0.970 6 residues pruned to eliminate duplicates Z: 13 13.900 1.810 0.295 0.881 1.000 0.750 CA 1.240 10 residues pruned to eliminate duplicates Z: 12 16.612 1.890 0.323 0.908 1.000 0.636 CA 1.422 13 residues pruned to eliminate duplicates Z: 22 10.202 2.036 0.026 0.319 0.810 0.333 CB 1.607 28 residues pruned to eliminate duplicates Z: 27 16.580 1.881 0.383 0.391 0.962 0.538 CA 1.458 27 residues pruned to eliminate duplicates Z: 27 15.927 2.011 0.361 0.369 0.885 0.654 CA 1.485 27 residues pruned to eliminate duplicates Z: 17 16.295 2.037 0.606 0.592 0.875 0.625 CA 1.303 17 residues pruned to eliminate duplicates Z: 28 23.538 2.050 0.229 0.741 0.889 0.778 CB 1.630 28 residues pruned to eliminate duplicates Z: 7 7.221 1.371 0.830 0.586 1.000 0.667 O 1.082 Z: 6 2.060 1.690 0.196 0.522 0.600 0.400 CB 0.743 4 residues pruned to eliminate duplicates Z: 15 3.218 1.308 0.291 0.307 0.714 0.429 CB 0.884 Z: 7 2.193 1.461 0.246 0.575 0.667 0.500 CB 0.686 Z: 7 3.198 1.786 0.326 0.374 0.667 0.500 CB 0.947 7 residues pruned to eliminate duplicates Z: 15 16.723 1.959 0.519 0.551 1.000 0.714 CB 1.429 22 residues pruned to eliminate duplicates Z: 11 6.946 1.874 0.209 0.559 0.800 0.700 N 1.144 11 residues pruned to eliminate duplicates Z: 18 10.105 1.685 0.559 0.383 0.882 0.471 CB 1.197 18 residues pruned to eliminate duplicates Z: 14 2.814 1.454 0.579 0.197 0.615 0.231 CB 0.792 14 residues pruned to eliminate duplicates Z: 8 4.538 1.623 0.188 0.518 0.714 0.714 CB 1.224 8 residues pruned to eliminate duplicates Z: 12 10.369 1.990 0.803 0.318 0.909 0.636 CA 1.172 12 residues pruned to eliminate duplicates Z: 14 11.195 1.936 0.245 0.355 1.000 0.538 CA 1.506 14 residues pruned to eliminate duplicates Z: 11 6.896 1.831 0.293 0.432 0.900 0.600 CB 1.098 11 residues pruned to eliminate duplicates 6 1.759 1.435 -0.137 0.424 0.600 0.400 O 1.146 ? Z: 10 5.373 1.524 0.535 0.426 0.667 0.222 N 1.240 Z: 8 14.067 2.025 0.904 0.612 0.857 0.714 C 1.446 Z: 18 20.731 2.034 0.406 0.655 1.000 0.706 CB 1.521 18 residues pruned to eliminate duplicates Z: 6 3.174 1.635 0.072 0.361 1.000 0.800 CA 0.941 Z: 13 6.401 1.645 0.501 0.419 0.833 0.500 CB 0.977 13 residues pruned to eliminate duplicates Z: 6 3.477 1.313 0.267 0.578 1.000 0.800 CB 0.867 Z: 7 3.600 1.274 0.132 0.753 1.000 0.667 CB 0.814 7 residues pruned to eliminate duplicates Z: 9 3.693 1.413 0.289 0.299 0.875 0.375 CA 1.026 Z: 12 15.211 1.956 0.791 0.545 1.000 0.727 CB 1.252 14 residues pruned to eliminate duplicates Z: 7 2.483 1.486 0.080 0.371 0.833 0.500 CB 0.870 7 residues pruned to eliminate duplicates Z: 6 4.027 1.655 0.334 0.657 0.800 0.400 CB 0.882 6 residues pruned to eliminate duplicates Z: 6 5.159 1.638 0.531 0.451 1.000 0.600 CB 0.967 Z: 46 31.895 2.050 0.497 0.654 0.911 0.800 CA 1.474 46 residues pruned to eliminate duplicates Z: 8 3.264 1.656 0.115 0.293 0.714 0.429 CB 1.180 9 residues pruned to eliminate duplicates Z: 7 2.496 1.329 -0.092 0.469 0.833 0.500 C 1.046 Z: 8 2.973 1.394 0.052 0.308 0.857 0.571 CB 1.106 Z: 10 5.957 1.764 0.289 0.436 0.667 0.333 N 1.399 6 residues pruned to eliminate duplicates Z: 9 3.191 1.532 0.475 0.278 0.625 0.375 N 1.027 9 residues pruned to eliminate duplicates Z: 7 5.370 1.578 0.243 0.778 0.667 0.500 N 1.312 Z: 6 4.802 1.351 0.569 0.491 1.000 0.400 CB 1.022 Z: 7 3.559 1.263 0.601 0.415 0.833 0.333 CB 0.943 7 residues pruned to eliminate duplicates Z: 11 6.175 1.620 0.010 0.541 0.900 0.400 CA 1.274 11 residues pruned to eliminate duplicates Z: 45 35.968 2.113 0.462 0.685 1.000 0.727 CB 1.481 45 residues pruned to eliminate duplicates Z: 24 11.252 2.104 0.192 0.326 0.783 0.435 CB 1.447 24 residues pruned to eliminate duplicates Z: 9 10.263 1.915 0.421 0.859 1.000 0.625 CA 0.981 9 residues pruned to eliminate duplicates Z: 8 7.527 1.834 0.282 0.646 0.857 0.714 CA 1.232 8 residues pruned to eliminate duplicates Z: 24 32.912 2.068 0.811 0.663 1.000 0.652 CA 1.576 24 residues pruned to eliminate duplicates Z: 6 3.163 1.407 0.262 0.431 0.800 0.400 CA 1.070 Z: 12 12.517 2.007 0.475 0.700 0.818 0.818 CA 1.299 12 residues pruned to eliminate duplicates Z: 53 37.542 2.157 0.487 0.611 0.942 0.654 CA 1.550 53 residues pruned to eliminate duplicates Z: 65 44.804 2.175 0.747 0.569 0.938 0.469 CB 1.470 66 residues pruned to eliminate duplicates Z: 10 6.392 1.779 0.368 0.432 0.889 0.444 CB 1.057 10 residues pruned to eliminate duplicates Z: 9 4.702 1.519 0.047 0.515 0.875 0.625 C 1.177 9 residues pruned to eliminate duplicates Z: 13 10.367 1.894 0.449 0.434 0.833 0.583 CA 1.400 13 residues pruned to eliminate duplicates Z: 9 10.182 1.970 0.348 0.629 1.000 0.750 CA 1.201 9 residues pruned to eliminate duplicates Z: 7 2.303 1.362 0.435 0.319 0.833 0.333 CB 0.705 Z: 20 14.062 2.022 0.590 0.397 0.842 0.526 CB 1.329 20 residues pruned to eliminate duplicates Z: 56 36.582 2.095 0.670 0.517 0.927 0.545 CA 1.494 56 residues pruned to eliminate duplicates Z: 6 6.407 1.895 0.385 0.504 0.800 0.800 N 1.359 6 residues pruned to eliminate duplicates Z: 15 9.916 1.966 0.073 0.590 0.857 0.643 CA 1.346 14 residues pruned to eliminate duplicates Z: 9 9.653 1.845 0.036 0.824 1.000 0.875 CB 1.348 9 residues pruned to eliminate duplicates 6 1.783 1.196 0.571 0.136 0.800 0.000 CA 0.834 ? Z: 11 5.261 1.856 0.329 0.341 0.600 0.500 CA 1.336 11 residues pruned to eliminate duplicates 6 1.887 1.640 0.390 0.301 0.600 0.400 CB 0.770 ? Z: 10 6.348 1.857 0.183 0.522 0.778 0.667 CA 1.212 10 residues pruned to eliminate duplicates Z: 6 4.598 1.687 0.238 0.675 1.000 0.600 CB 0.838 Z: 20 8.982 1.880 0.289 0.339 0.789 0.579 CB 1.284 20 residues pruned to eliminate duplicates Z: 11 5.100 1.476 0.272 0.390 0.900 0.500 N 1.073 11 residues pruned to eliminate duplicates Z: 20 15.264 1.734 0.583 0.592 0.895 0.526 CB 1.305 20 residues pruned to eliminate duplicates Z: 8 6.830 1.631 0.796 0.387 0.857 0.714 CA 1.160 Z: 11 3.187 1.294 0.312 0.332 0.800 0.500 C 0.891 Z: 7 2.815 1.682 0.141 0.243 0.667 0.333 CB 1.209 Z: 13 8.852 2.017 0.492 0.361 0.750 0.250 CB 1.314 13 residues pruned to eliminate duplicates Z: 34 37.806 2.046 0.599 0.736 1.000 0.727 CB 1.628 34 residues pruned to eliminate duplicates Z: 10 9.387 1.814 0.507 0.549 0.778 0.333 O 1.404 10 residues pruned to eliminate duplicates Z: 11 6.430 1.881 0.318 0.263 0.800 0.500 CB 1.345 11 residues pruned to eliminate duplicates Z: 6 4.801 1.631 0.313 0.625 0.800 0.600 N 1.114 5 residues pruned to eliminate duplicates Z: 49 26.881 2.024 0.699 0.416 0.833 0.562 CA 1.479 49 residues pruned to eliminate duplicates Z: 10 4.052 1.456 0.461 0.343 0.778 0.444 CB 0.968 6 1.823 1.399 0.024 0.293 0.600 0.600 C 1.196 ? Z: 7 6.488 1.881 0.291 0.661 0.833 0.333 CB 1.127 7 residues pruned to eliminate duplicates Z: 14 6.522 1.970 0.195 0.374 0.846 0.615 CB 1.038 14 residues pruned to eliminate duplicates Z: 7 2.944 1.392 -0.090 0.571 0.833 0.500 CA 1.063 Z: 7 3.473 1.850 0.168 0.575 0.833 0.833 N 0.733 Z: 6 4.980 2.069 0.538 0.194 0.800 0.600 CA 1.260 6 residues pruned to eliminate duplicates Z: 7 2.019 1.452 0.235 0.248 0.667 0.500 CB 0.922 Z: 11 5.506 1.681 0.266 0.244 0.800 0.300 CB 1.375 11 residues pruned to eliminate duplicates Z: 7 6.897 1.513 0.435 0.752 1.000 0.667 N 1.035 Z: 9 2.359 1.696 0.313 0.307 0.625 0.375 CB 0.743 Z: 6 3.104 1.492 0.728 0.488 0.600 0.600 N 0.908 Z: 12 6.616 1.345 0.750 0.390 0.818 0.364 CB 1.163 Z: 6 2.537 1.152 0.875 0.570 0.800 0.800 C 0.613 Z: 16 13.424 1.962 0.336 0.458 0.867 0.600 CA 1.593 16 residues pruned to eliminate duplicates Z: 9 4.604 1.706 0.521 0.345 0.625 0.375 C 1.188 9 residues pruned to eliminate duplicates Z: 6 3.638 1.338 0.645 0.522 1.000 0.800 N 0.724 Z: 7 3.027 1.486 0.471 0.249 0.833 0.833 CB 0.906 Z: 10 4.610 2.009 0.298 0.255 0.778 0.556 CA 1.004 Z: 21 23.044 2.093 0.498 0.832 0.900 0.650 CB 1.370 21 residues pruned to eliminate duplicates Z: 10 7.069 1.787 0.293 0.591 0.778 0.667 CA 1.202 Z: 14 6.400 1.698 0.622 0.249 0.769 0.385 CB 1.119 14 residues pruned to eliminate duplicates 6 1.732 1.511 -0.055 0.503 0.600 0.400 CB 0.902 ? Z: 8 2.891 1.615 0.097 0.323 0.857 0.286 CB 0.875 Z: 7 2.728 1.337 0.106 0.643 0.833 0.667 C 0.791 Z: 9 2.604 1.583 0.096 0.290 0.875 0.375 CB 0.767 Z: 11 17.812 1.983 0.777 0.743 0.900 0.300 CB 1.428 11 residues pruned to eliminate duplicates Z: 8 2.068 1.362 0.067 0.338 0.714 0.143 CB 0.898 7 1.958 1.383 0.329 0.281 0.500 0.333 C 1.113 ? Using tripeptides from previous cycle as seeds Z: 6 4.595 2.043 0.246 0.214 1.000 0.400 CA 1.131 6 residues pruned to eliminate duplicates Z: 16 12.366 1.920 0.608 0.490 0.800 0.667 CB 1.305 16 residues pruned to eliminate duplicates Z: 15 9.477 1.962 0.639 0.434 0.714 0.500 CA 1.180 15 residues pruned to eliminate duplicates Z: 6 2.733 1.421 0.190 0.252 0.800 0.200 C 1.202 6 residues pruned to eliminate duplicates Z: 17 8.378 1.768 0.315 0.371 0.875 0.625 CB 1.183 17 residues pruned to eliminate duplicates Z: 35 15.897 1.995 0.127 0.337 0.941 0.500 CB 1.540 35 residues pruned to eliminate duplicates Z: 37 16.561 2.017 0.264 0.342 0.861 0.500 CB 1.494 37 residues pruned to eliminate duplicates Z: 33 11.617 1.861 0.216 0.305 0.938 0.469 CB 1.203 34 residues pruned to eliminate duplicates Z: 7 7.305 1.995 0.444 0.377 0.833 0.667 CB 1.416 7 residues pruned to eliminate duplicates Z: 37 16.434 2.026 0.207 0.339 0.917 0.472 CB 1.456 37 residues pruned to eliminate duplicates Z: 36 18.122 2.010 0.294 0.362 0.943 0.514 CB 1.449 36 residues pruned to eliminate duplicates Z: 17 9.384 1.822 0.469 0.301 0.938 0.500 CB 1.168 17 residues pruned to eliminate duplicates Z: 23 11.208 1.985 0.226 0.302 0.864 0.591 CB 1.419 23 residues pruned to eliminate duplicates Z: 17 10.238 1.830 0.488 0.250 1.000 0.562 CB 1.254 17 residues pruned to eliminate duplicates Z: 38 17.319 1.962 0.261 0.348 0.919 0.459 CB 1.476 38 residues pruned to eliminate duplicates Z: 22 11.554 1.855 0.319 0.356 0.905 0.476 CB 1.331 22 residues pruned to eliminate duplicates Z: 35 14.865 2.004 0.171 0.374 0.853 0.471 CB 1.458 35 residues pruned to eliminate duplicates Z: 21 12.150 1.998 0.208 0.352 0.950 0.550 CB 1.391 21 residues pruned to eliminate duplicates Z: 36 14.875 2.000 0.098 0.356 0.886 0.457 CB 1.509 36 residues pruned to eliminate duplicates Z: 36 16.612 2.034 0.130 0.355 0.943 0.457 CB 1.515 36 residues pruned to eliminate duplicates Z: 33 17.741 2.036 0.300 0.335 0.906 0.500 CB 1.566 33 residues pruned to eliminate duplicates Z: 34 15.237 2.006 0.176 0.399 0.818 0.455 CB 1.529 34 residues pruned to eliminate duplicates Z: 38 16.631 1.983 0.193 0.352 0.919 0.378 CB 1.478 38 residues pruned to eliminate duplicates Z: 37 14.867 1.981 0.155 0.317 0.889 0.444 CB 1.492 37 residues pruned to eliminate duplicates Z: 29 8.676 1.823 0.187 0.224 0.821 0.286 CB 1.275 29 residues pruned to eliminate duplicates Z: 36 16.325 2.037 0.159 0.343 0.886 0.400 CB 1.566 36 residues pruned to eliminate duplicates Z: 27 17.792 2.052 0.269 0.392 0.962 0.577 CB 1.563 27 residues pruned to eliminate duplicates Z: 36 16.108 2.033 0.202 0.353 0.857 0.486 CB 1.523 36 residues pruned to eliminate duplicates Z: 36 13.585 2.011 0.123 0.295 0.886 0.371 CB 1.443 36 residues pruned to eliminate duplicates Z: 18 11.159 2.056 0.055 0.414 0.882 0.471 CB 1.548 18 residues pruned to eliminate duplicates Z: 31 15.921 2.011 0.267 0.363 0.833 0.533 CB 1.587 31 residues pruned to eliminate duplicates Z: 40 16.677 1.982 0.274 0.337 0.846 0.487 CB 1.493 40 residues pruned to eliminate duplicates Z: 18 12.280 1.989 0.256 0.439 0.882 0.412 CB 1.439 18 residues pruned to eliminate duplicates Z: 16 13.413 2.048 0.243 0.434 0.933 0.400 CB 1.561 16 residues pruned to eliminate duplicates Z: 38 14.626 1.953 0.228 0.321 0.865 0.405 CB 1.411 38 residues pruned to eliminate duplicates Z: 26 11.557 1.946 0.187 0.408 0.760 0.400 CB 1.451 26 residues pruned to eliminate duplicates Z: 20 9.683 1.957 0.059 0.360 0.842 0.421 CB 1.480 20 residues pruned to eliminate duplicates Z: 38 15.173 1.947 0.232 0.351 0.919 0.459 CB 1.329 38 residues pruned to eliminate duplicates Z: 17 9.981 1.937 0.346 0.374 0.812 0.562 CB 1.347 18 residues pruned to eliminate duplicates Z: 8 6.519 1.797 0.557 0.398 0.857 0.429 CA 1.144 8 residues pruned to eliminate duplicates Z: 18 7.422 1.852 0.374 0.329 0.706 0.471 CB 1.208 18 residues pruned to eliminate duplicates Z: 14 9.612 1.977 0.394 0.331 0.846 0.462 CB 1.377 12 residues pruned to eliminate duplicates Z: 7 5.073 1.567 0.316 0.459 1.000 0.500 CA 1.046 7 residues pruned to eliminate duplicates Z: 12 7.006 1.957 0.431 0.432 0.818 0.545 CB 0.989 12 residues pruned to eliminate duplicates Z: 11 7.084 1.737 0.250 0.422 0.800 0.300 CA 1.399 11 residues pruned to eliminate duplicates Z: 10 8.302 1.816 0.360 0.475 0.889 0.556 CA 1.294 10 residues pruned to eliminate duplicates Z: 10 8.528 1.866 0.385 0.479 0.889 0.333 CB 1.263 10 residues pruned to eliminate duplicates Z: 9 8.990 1.876 0.236 0.547 0.875 0.500 CA 1.496 9 residues pruned to eliminate duplicates Z: 9 7.355 1.927 -0.006 0.580 0.875 0.500 CA 1.435 9 residues pruned to eliminate duplicates Z: 9 9.078 1.929 0.139 0.571 1.000 0.750 CB 1.364 9 residues pruned to eliminate duplicates Z: 7 9.783 1.973 0.168 0.553 1.000 0.667 CA 1.646 7 residues pruned to eliminate duplicates Z: 11 6.054 1.753 0.476 0.318 0.800 0.500 CB 1.131 5 residues pruned to eliminate duplicates Z: 6 3.763 1.670 0.048 0.414 1.000 0.600 CB 1.052 6 residues pruned to eliminate duplicates Z: 7 4.656 1.997 0.006 0.392 0.833 0.500 CB 1.272 7 residues pruned to eliminate duplicates Z: 6 6.176 1.585 0.513 0.466 1.000 0.800 CB 1.191 6 residues pruned to eliminate duplicates Z: 11 8.292 1.826 0.270 0.340 1.000 0.300 CB 1.347 14 residues pruned to eliminate duplicates Z: 6 4.674 1.278 0.841 0.486 1.000 0.800 N 0.901 6 residues pruned to eliminate duplicates Z: 8 4.103 1.710 0.183 0.337 0.714 0.714 CA 1.283 8 residues pruned to eliminate duplicates Z: 10 4.978 1.777 0.167 0.406 0.667 0.444 CB 1.326 10 residues pruned to eliminate duplicates Z: 10 6.209 1.772 0.290 0.419 0.778 0.444 CA 1.266 10 residues pruned to eliminate duplicates Z: 7 3.376 1.594 0.194 0.365 1.000 0.167 CA 0.837 7 residues pruned to eliminate duplicates Z: 16 9.795 2.017 0.397 0.299 0.800 0.533 CB 1.403 16 residues pruned to eliminate duplicates Z: 15 10.354 2.007 0.256 0.384 0.929 0.500 CB 1.337 15 residues pruned to eliminate duplicates Z: 20 11.567 1.768 0.701 0.372 0.895 0.526 CB 1.131 20 residues pruned to eliminate duplicates Z: 15 10.443 2.005 0.455 0.406 0.857 0.500 CA 1.232 15 residues pruned to eliminate duplicates Z: 11 10.866 2.067 0.361 0.468 0.900 0.700 CB 1.402 11 residues pruned to eliminate duplicates Z: 13 13.578 1.998 0.463 0.481 1.000 0.750 CB 1.368 13 residues pruned to eliminate duplicates Z: 13 10.797 1.921 0.566 0.476 0.917 0.667 CB 1.158 13 residues pruned to eliminate duplicates Z: 12 16.242 2.060 0.637 0.522 1.000 0.636 CB 1.421 12 residues pruned to eliminate duplicates Z: 12 17.866 2.047 0.835 0.532 1.000 0.727 CB 1.390 12 residues pruned to eliminate duplicates Z: 6 7.976 1.906 0.515 0.282 1.000 0.200 CA 1.579 6 residues pruned to eliminate duplicates Z: 21 11.509 1.939 0.483 0.305 0.800 0.500 CB 1.389 21 residues pruned to eliminate duplicates Z: 38 21.287 2.049 0.470 0.431 0.838 0.486 CA 1.489 38 residues pruned to eliminate duplicates Z: 19 11.470 1.999 0.494 0.322 0.833 0.611 CA 1.322 19 residues pruned to eliminate duplicates Z: 37 23.393 2.073 0.472 0.484 0.889 0.611 CB 1.461 37 residues pruned to eliminate duplicates Z: 37 23.188 2.057 0.531 0.511 0.861 0.611 CA 1.409 37 residues pruned to eliminate duplicates Z: 28 16.698 2.028 0.366 0.388 0.889 0.556 CA 1.470 28 residues pruned to eliminate duplicates Z: 39 21.187 2.031 0.444 0.478 0.842 0.579 CA 1.422 39 residues pruned to eliminate duplicates Z: 39 21.600 2.047 0.430 0.475 0.895 0.658 CA 1.372 38 residues pruned to eliminate duplicates Z: 6 7.778 1.868 0.866 0.372 0.800 0.400 CA 1.431 6 residues pruned to eliminate duplicates Z: 39 25.928 2.014 0.544 0.477 0.947 0.605 CA 1.461 39 residues pruned to eliminate duplicates Z: 38 19.048 1.990 0.414 0.430 0.892 0.568 CA 1.343 38 residues pruned to eliminate duplicates Z: 27 16.539 2.015 0.376 0.412 0.885 0.654 CA 1.450 27 residues pruned to eliminate duplicates Z: 37 24.772 2.100 0.442 0.486 0.889 0.694 CA 1.555 37 residues pruned to eliminate duplicates Z: 37 23.584 2.068 0.430 0.464 0.917 0.556 CA 1.504 37 residues pruned to eliminate duplicates Z: 26 19.005 2.120 0.344 0.526 0.880 0.560 CA 1.477 26 residues pruned to eliminate duplicates Z: 38 24.189 2.098 0.516 0.478 0.865 0.568 CA 1.477 38 residues pruned to eliminate duplicates Z: 29 15.400 2.006 0.452 0.371 0.786 0.607 CA 1.460 29 residues pruned to eliminate duplicates Z: 24 20.299 2.007 0.606 0.505 0.870 0.652 CA 1.502 24 residues pruned to eliminate duplicates Z: 10 9.739 1.950 0.364 0.406 0.889 0.667 CA 1.515 10 residues pruned to eliminate duplicates Z: 20 19.180 2.079 0.410 0.584 0.895 0.789 CB 1.548 20 residues pruned to eliminate duplicates Z: 37 23.862 2.092 0.482 0.470 0.861 0.667 CA 1.536 37 residues pruned to eliminate duplicates Z: 41 23.443 2.039 0.442 0.474 0.875 0.525 CA 1.478 41 residues pruned to eliminate duplicates Z: 38 23.549 2.101 0.473 0.504 0.865 0.649 CA 1.441 38 residues pruned to eliminate duplicates Z: 14 9.583 1.900 0.328 0.575 0.769 0.462 CB 1.273 14 residues pruned to eliminate duplicates Z: 12 14.112 2.046 0.394 0.651 0.909 0.545 CA 1.426 12 residues pruned to eliminate duplicates Z: 11 16.240 2.204 0.440 0.689 0.900 0.600 CA 1.511 11 residues pruned to eliminate duplicates Z: 12 13.023 2.118 0.458 0.632 0.909 0.545 CB 1.236 12 residues pruned to eliminate duplicates Z: 39 24.109 2.044 0.477 0.489 0.842 0.632 CA 1.556 39 residues pruned to eliminate duplicates Z: 39 16.590 1.916 0.332 0.374 0.816 0.500 CB 1.479 39 residues pruned to eliminate duplicates Z: 22 17.495 2.068 0.389 0.523 0.857 0.571 CA 1.515 23 residues pruned to eliminate duplicates Z: 46 19.705 1.937 0.401 0.385 0.867 0.511 CB 1.411 46 residues pruned to eliminate duplicates Z: 13 6.908 1.933 0.063 0.515 0.750 0.417 CB 1.275 12 residues pruned to eliminate duplicates Z: 6 3.199 1.517 0.716 0.447 0.800 0.600 CA 0.725 6 residues pruned to eliminate duplicates Z: 13 12.753 1.928 0.818 0.427 0.917 0.583 CB 1.237 20 residues pruned to eliminate duplicates Z: 7 9.821 1.905 1.102 0.684 0.667 0.667 CB 1.269 Z: 6 13.017 1.849 0.836 0.684 1.000 0.400 CB 1.449 6 residues pruned to eliminate duplicates Z: 7 4.793 1.722 0.444 0.626 0.833 0.333 CB 0.839 7 residues pruned to eliminate duplicates Z: 7 11.410 2.001 0.828 0.606 1.000 0.667 CB 1.152 8 residues pruned to eliminate duplicates Z: 8 9.621 1.867 0.631 0.504 0.857 0.429 CA 1.387 8 residues pruned to eliminate duplicates Z: 8 10.223 1.914 0.754 0.572 1.000 0.571 CB 1.074 7 residues pruned to eliminate duplicates Z: 7 8.372 1.909 0.548 0.576 1.000 0.667 CB 1.075 7 residues pruned to eliminate duplicates Z: 37 17.481 2.120 0.542 0.333 0.806 0.389 CB 1.329 42 residues pruned to eliminate duplicates Z: 6 4.878 1.854 0.707 0.317 0.800 0.000 CB 1.054 6 residues pruned to eliminate duplicates Z: 28 11.745 1.986 0.585 0.402 0.630 0.444 CB 1.264 28 residues pruned to eliminate duplicates Z: 24 12.867 1.956 0.711 0.348 0.783 0.435 CB 1.207 24 residues pruned to eliminate duplicates Z: 23 13.947 2.051 0.674 0.381 0.773 0.500 CB 1.272 23 residues pruned to eliminate duplicates Z: 29 17.595 2.126 0.483 0.392 0.786 0.357 CB 1.504 30 residues pruned to eliminate duplicates Z: 7 3.150 1.541 0.113 0.384 0.833 0.500 CA 1.018 7 residues pruned to eliminate duplicates Z: 30 12.278 2.038 0.388 0.357 0.724 0.345 CB 1.298 30 residues pruned to eliminate duplicates Z: 24 14.963 1.989 0.665 0.431 0.826 0.478 CB 1.225 23 residues pruned to eliminate duplicates Z: 6 2.704 1.230 0.618 0.447 1.000 0.400 N 0.642 6 residues pruned to eliminate duplicates Z: 17 10.636 2.193 0.318 0.335 0.812 0.312 CB 1.357 16 residues pruned to eliminate duplicates Z: 6 2.548 1.825 0.709 0.291 0.600 0.400 CA 0.770 6 residues pruned to eliminate duplicates Z: 32 16.171 2.018 0.411 0.381 0.871 0.419 CB 1.329 32 residues pruned to eliminate duplicates Z: 11 10.064 2.157 0.341 0.307 0.900 0.400 CA 1.516 11 residues pruned to eliminate duplicates Z: 12 7.226 1.943 0.381 0.221 0.818 0.545 CA 1.377 12 residues pruned to eliminate duplicates Z: 18 5.562 1.902 0.117 0.263 0.706 0.353 CB 1.178 18 residues pruned to eliminate duplicates Z: 16 10.552 1.893 0.275 0.512 0.867 0.600 CB 1.287 16 residues pruned to eliminate duplicates Z: 10 8.499 1.794 0.482 0.651 0.889 0.556 CB 1.041 10 residues pruned to eliminate duplicates Z: 15 9.241 1.909 0.344 0.412 0.929 0.571 CB 1.136 15 residues pruned to eliminate duplicates Z: 14 9.131 1.911 0.404 0.451 0.769 0.538 CA 1.290 14 residues pruned to eliminate duplicates Z: 12 7.737 1.854 0.168 0.535 0.909 0.636 CA 1.145 12 residues pruned to eliminate duplicates Z: 16 10.219 1.866 0.187 0.513 0.933 0.467 CA 1.260 16 residues pruned to eliminate duplicates Z: 7 7.229 1.833 0.560 0.723 1.000 0.500 CB 0.844 7 residues pruned to eliminate duplicates Z: 15 10.580 1.916 0.350 0.515 0.857 0.643 CB 1.257 15 residues pruned to eliminate duplicates Z: 7 7.008 1.776 0.692 0.413 0.833 0.667 CA 1.251 7 residues pruned to eliminate duplicates Z: 19 9.373 1.727 0.283 0.436 0.889 0.556 CB 1.198 17 residues pruned to eliminate duplicates Z: 6 5.058 1.758 0.014 0.379 1.000 0.600 O 1.445 8 residues pruned to eliminate duplicates Z: 6 4.693 1.753 0.444 0.293 0.800 0.400 CB 1.306 Z: 8 6.606 1.839 0.359 0.362 0.857 0.429 CB 1.352 10 residues pruned to eliminate duplicates Z: 6 2.855 1.553 0.014 0.461 0.800 0.600 CA 1.055 6 residues pruned to eliminate duplicates Z: 7 5.613 2.275 0.379 0.083 0.833 0.667 CA 1.503 8 residues pruned to eliminate duplicates Z: 7 6.960 2.170 0.547 0.385 1.000 0.667 CA 0.956 9 residues pruned to eliminate duplicates Z: 6 4.454 1.934 0.509 0.307 0.800 0.600 CA 1.057 4 residues pruned to eliminate duplicates Z: 6 3.126 1.773 0.001 0.378 0.800 0.400 CA 1.122 6 residues pruned to eliminate duplicates Z: 6 11.788 2.059 0.556 0.827 1.000 1.000 CA 1.240 6 residues pruned to eliminate duplicates Z: 14 9.737 1.891 0.787 0.250 0.769 0.385 CA 1.385 14 residues pruned to eliminate duplicates Z: 12 9.956 2.082 0.593 0.331 0.818 0.455 CA 1.332 12 residues pruned to eliminate duplicates Z: 6 2.684 1.698 0.323 0.113 0.800 0.400 CA 1.089 6 residues pruned to eliminate duplicates Z: 24 19.225 2.106 0.540 0.393 0.870 0.652 CA 1.592 24 residues pruned to eliminate duplicates Z: 9 6.461 1.731 0.904 0.236 0.750 0.250 N 1.256 9 residues pruned to eliminate duplicates Z: 22 16.559 1.974 0.474 0.378 0.952 0.429 CB 1.485 22 residues pruned to eliminate duplicates Z: 14 10.347 2.046 0.460 0.303 0.846 0.308 CA 1.414 14 residues pruned to eliminate duplicates Z: 24 17.098 2.018 0.537 0.371 0.870 0.522 CA 1.518 24 residues pruned to eliminate duplicates Z: 20 17.110 1.987 0.742 0.429 0.842 0.526 CA 1.450 20 residues pruned to eliminate duplicates Z: 21 17.368 2.013 0.566 0.389 0.850 0.600 CA 1.631 21 residues pruned to eliminate duplicates Z: 24 16.700 2.015 0.447 0.361 0.913 0.478 CA 1.519 24 residues pruned to eliminate duplicates Z: 21 16.920 2.012 0.529 0.378 0.900 0.550 CA 1.556 21 residues pruned to eliminate duplicates Z: 25 18.204 2.017 0.466 0.439 0.875 0.542 CA 1.530 25 residues pruned to eliminate duplicates Z: 25 20.886 2.045 0.609 0.399 0.917 0.542 CA 1.573 24 residues pruned to eliminate duplicates Z: 6 4.507 1.627 0.330 0.462 0.800 0.400 C 1.210 6 residues pruned to eliminate duplicates Z: 23 18.199 1.943 0.582 0.413 0.909 0.591 CA 1.521 23 residues pruned to eliminate duplicates Z: 6 5.489 1.896 -0.098 0.476 1.000 1.000 CB 1.471 6 residues pruned to eliminate duplicates Z: 20 19.116 2.013 0.636 0.384 0.947 0.632 CA 1.590 21 residues pruned to eliminate duplicates Z: 8 6.527 1.717 0.386 0.384 0.857 0.429 CA 1.368 9 residues pruned to eliminate duplicates Z: 7 8.008 1.897 0.246 0.462 1.000 0.667 CA 1.438 8 residues pruned to eliminate duplicates Z: 8 8.146 1.899 0.410 0.591 0.857 0.571 CB 1.230 9 residues pruned to eliminate duplicates Z: 8 12.852 2.014 0.398 0.552 1.000 0.571 CB 1.640 8 residues pruned to eliminate duplicates Z: 11 11.414 1.935 0.454 0.458 0.900 0.200 CA 1.488 11 residues pruned to eliminate duplicates Z: 25 14.834 1.997 0.210 0.438 0.833 0.417 CB 1.603 25 residues pruned to eliminate duplicates Z: 22 17.001 1.975 0.420 0.455 0.857 0.476 CB 1.616 23 residues pruned to eliminate duplicates Z: 7 8.100 1.855 0.399 0.520 0.833 0.667 CB 1.500 7 residues pruned to eliminate duplicates Z: 22 15.663 2.014 0.270 0.416 0.952 0.333 N 1.531 22 residues pruned to eliminate duplicates Z: 25 16.856 2.022 0.290 0.436 0.875 0.417 CB 1.612 24 residues pruned to eliminate duplicates Z: 7 3.825 1.424 0.483 0.484 0.833 0.333 CB 0.902 7 residues pruned to eliminate duplicates Z: 23 13.745 1.996 0.209 0.454 0.818 0.455 N 1.556 23 residues pruned to eliminate duplicates Z: 23 15.622 2.006 0.354 0.466 0.773 0.591 CA 1.642 23 residues pruned to eliminate duplicates Z: 23 15.022 2.065 0.174 0.458 0.818 0.500 CA 1.685 23 residues pruned to eliminate duplicates Z: 60 29.477 2.020 0.418 0.524 0.915 0.508 CA 1.430 60 residues pruned to eliminate duplicates Z: 6 4.691 1.817 0.429 0.438 1.000 0.800 CA 0.862 7 residues pruned to eliminate duplicates Z: 9 8.756 1.988 0.129 0.633 1.000 0.750 CA 1.218 9 residues pruned to eliminate duplicates 6 1.031 1.534 0.099 0.188 0.400 0.000 N 0.993 ? Z: 7 5.655 1.425 1.204 0.310 0.833 0.667 CA 1.090 7 residues pruned to eliminate duplicates Z: 38 21.817 2.038 0.431 0.422 0.973 0.568 CA 1.370 38 residues pruned to eliminate duplicates Z: 35 25.109 2.098 0.435 0.626 0.912 0.647 CA 1.394 35 residues pruned to eliminate duplicates Z: 49 28.070 2.048 0.410 0.613 0.938 0.729 CA 1.345 58 residues pruned to eliminate duplicates Z: 28 12.576 1.881 0.521 0.413 0.778 0.444 CA 1.191 28 residues pruned to eliminate duplicates Z: 22 19.744 2.064 0.692 0.425 0.952 0.571 CA 1.401 22 residues pruned to eliminate duplicates Z: 24 20.001 2.061 0.427 0.590 1.000 0.739 CA 1.301 24 residues pruned to eliminate duplicates Z: 36 26.127 2.075 0.599 0.549 0.971 0.743 CA 1.306 36 residues pruned to eliminate duplicates Z: 42 26.230 2.067 0.366 0.594 1.000 0.756 CA 1.326 42 residues pruned to eliminate duplicates Z: 35 29.715 2.074 0.543 0.627 0.971 0.765 CA 1.456 35 residues pruned to eliminate duplicates Z: 31 24.670 2.082 0.311 0.763 1.000 0.800 CA 1.307 31 residues pruned to eliminate duplicates Z: 34 20.956 2.009 0.365 0.666 0.909 0.697 CA 1.254 34 residues pruned to eliminate duplicates Z: 31 26.396 2.091 0.352 0.720 1.000 0.767 CA 1.397 31 residues pruned to eliminate duplicates Z: 41 23.447 2.008 0.413 0.583 0.925 0.600 CA 1.304 41 residues pruned to eliminate duplicates Z: 64 38.154 2.093 0.449 0.627 0.968 0.619 CA 1.453 63 residues pruned to eliminate duplicates Z: 21 21.493 1.977 0.444 0.882 1.000 0.800 CA 1.218 21 residues pruned to eliminate duplicates Z: 39 29.802 2.064 0.583 0.661 0.921 0.605 CA 1.383 39 residues pruned to eliminate duplicates Z: 33 30.468 2.124 0.583 0.648 0.969 0.656 CA 1.441 33 residues pruned to eliminate duplicates Z: 35 27.361 2.090 0.542 0.616 0.971 0.500 CA 1.344 35 residues pruned to eliminate duplicates Z: 48 26.702 2.052 0.369 0.614 0.936 0.574 CA 1.329 48 residues pruned to eliminate duplicates Z: 51 27.136 1.994 0.484 0.575 0.960 0.680 CA 1.256 51 residues pruned to eliminate duplicates Z: 45 25.117 2.043 0.471 0.552 0.909 0.545 CA 1.318 45 residues pruned to eliminate duplicates Z: 19 22.366 2.058 0.575 0.768 0.944 0.444 CA 1.358 19 residues pruned to eliminate duplicates Z: 35 34.743 2.125 0.632 0.633 1.000 0.559 CA 1.517 35 residues pruned to eliminate duplicates Z: 88 41.449 2.043 0.575 0.516 0.954 0.540 CB 1.424 88 residues pruned to eliminate duplicates Z: 40 32.921 2.105 0.634 0.634 0.923 0.615 CA 1.463 40 residues pruned to eliminate duplicates Z: 63 38.602 2.073 0.483 0.611 0.952 0.597 CA 1.509 63 residues pruned to eliminate duplicates Z: 41 27.270 1.950 0.608 0.619 0.900 0.450 CA 1.365 41 residues pruned to eliminate duplicates Z: 69 40.944 2.033 0.651 0.620 0.956 0.632 CB 1.382 69 residues pruned to eliminate duplicates Z: 34 33.306 2.126 0.554 0.653 1.000 0.485 CB 1.521 34 residues pruned to eliminate duplicates Z: 18 19.212 2.058 0.544 0.690 0.882 0.647 CA 1.396 18 residues pruned to eliminate duplicates Z: 59 35.229 2.061 0.563 0.585 0.897 0.552 CA 1.476 59 residues pruned to eliminate duplicates Z: 52 37.840 2.083 0.667 0.630 0.941 0.549 CA 1.435 52 residues pruned to eliminate duplicates Z: 21 13.647 1.840 0.472 0.472 0.900 0.650 CB 1.288 21 residues pruned to eliminate duplicates Z: 47 31.425 2.077 0.456 0.532 0.957 0.565 CA 1.553 47 residues pruned to eliminate duplicates Z: 49 27.221 1.976 0.461 0.494 0.938 0.625 CA 1.461 49 residues pruned to eliminate duplicates Z: 39 33.852 2.029 0.789 0.665 0.947 0.632 CA 1.370 39 residues pruned to eliminate duplicates Z: 57 25.504 2.025 0.419 0.502 0.875 0.482 CB 1.352 57 residues pruned to eliminate duplicates Z: 46 29.816 2.070 0.485 0.508 0.933 0.533 CA 1.537 46 residues pruned to eliminate duplicates Z: 19 13.186 1.941 0.493 0.533 0.833 0.444 CB 1.246 19 residues pruned to eliminate duplicates Z: 78 42.154 2.078 0.626 0.564 0.896 0.519 CB 1.491 78 residues pruned to eliminate duplicates Z: 11 17.910 1.997 0.482 0.848 1.000 0.900 CB 1.419 11 residues pruned to eliminate duplicates Z: 72 40.427 2.104 0.464 0.603 0.958 0.634 CA 1.474 72 residues pruned to eliminate duplicates Z: 20 18.734 2.052 0.536 0.693 0.947 0.526 CB 1.206 20 residues pruned to eliminate duplicates Z: 12 20.606 2.194 0.630 0.789 1.000 0.727 CB 1.348 12 residues pruned to eliminate duplicates Z: 14 15.090 2.029 0.507 0.683 0.923 0.462 CB 1.254 14 residues pruned to eliminate duplicates Z: 46 32.118 2.100 0.518 0.537 0.933 0.556 CA 1.552 46 residues pruned to eliminate duplicates Z: 42 23.684 2.053 0.430 0.500 0.854 0.439 CB 1.477 42 residues pruned to eliminate duplicates Z: 20 21.232 2.027 0.569 0.640 0.895 0.579 CA 1.502 20 residues pruned to eliminate duplicates Z: 12 11.314 1.802 0.655 0.545 0.818 0.364 CB 1.338 12 residues pruned to eliminate duplicates Z: 22 19.359 2.042 0.463 0.650 0.952 0.571 CB 1.291 22 residues pruned to eliminate duplicates Z: 19 25.089 2.108 0.574 0.717 1.000 0.833 CB 1.465 19 residues pruned to eliminate duplicates Z: 13 14.491 2.139 0.296 0.656 1.000 0.583 CB 1.306 13 residues pruned to eliminate duplicates Z: 32 24.733 2.087 0.618 0.452 0.903 0.548 CA 1.531 31 residues pruned to eliminate duplicates Z: 6 5.403 2.014 0.527 0.291 1.000 0.200 CA 0.993 6 residues pruned to eliminate duplicates Z: 32 23.172 2.061 0.536 0.442 0.903 0.452 CA 1.546 32 residues pruned to eliminate duplicates Z: 45 27.262 2.082 0.416 0.512 0.955 0.477 CB 1.444 46 residues pruned to eliminate duplicates Z: 6 2.082 1.148 0.560 0.338 0.800 0.400 N 0.775 Z: 13 11.321 1.753 0.419 0.563 0.917 0.500 CA 1.348 14 residues pruned to eliminate duplicates Z: 9 16.179 2.124 0.616 0.759 1.000 0.500 CA 1.324 9 residues pruned to eliminate duplicates Z: 10 14.195 1.900 0.711 0.830 1.000 0.667 CA 1.094 10 residues pruned to eliminate duplicates Z: 46 32.499 2.086 0.613 0.515 0.933 0.511 CA 1.520 46 residues pruned to eliminate duplicates Z: 29 21.039 2.065 0.540 0.426 0.929 0.643 CA 1.454 29 residues pruned to eliminate duplicates Z: 39 22.817 1.942 0.681 0.443 0.842 0.368 CB 1.428 39 residues pruned to eliminate duplicates Z: 41 30.325 2.072 0.554 0.566 0.925 0.675 CA 1.510 41 residues pruned to eliminate duplicates Z: 29 24.502 2.100 0.579 0.480 0.929 0.571 CA 1.535 29 residues pruned to eliminate duplicates Z: 18 12.938 1.945 0.597 0.414 0.882 0.471 CA 1.252 18 residues pruned to eliminate duplicates Z: 16 17.155 2.033 0.552 0.590 0.867 0.667 CB 1.486 16 residues pruned to eliminate duplicates Z: 39 20.660 2.048 0.480 0.446 0.842 0.526 CA 1.387 39 residues pruned to eliminate duplicates Z: 38 21.270 2.089 0.567 0.436 0.811 0.459 CA 1.407 38 residues pruned to eliminate duplicates Z: 13 11.399 1.869 0.717 0.571 0.917 0.583 CA 1.044 13 residues pruned to eliminate duplicates Z: 59 39.618 2.115 0.648 0.584 0.879 0.552 CA 1.566 59 residues pruned to eliminate duplicates Z: 47 22.465 1.973 0.723 0.348 0.804 0.457 CA 1.429 47 residues pruned to eliminate duplicates Z: 66 37.063 2.075 0.601 0.539 0.877 0.600 CA 1.519 66 residues pruned to eliminate duplicates Z: 16 16.788 2.034 0.894 0.527 0.867 0.533 CA 1.263 16 residues pruned to eliminate duplicates Z: 16 18.362 2.037 0.934 0.554 0.800 0.467 CA 1.427 16 residues pruned to eliminate duplicates Z: 34 21.599 2.099 0.642 0.349 0.879 0.515 CA 1.462 34 residues pruned to eliminate duplicates Z: 42 26.578 2.033 0.662 0.432 0.878 0.488 CA 1.501 42 residues pruned to eliminate duplicates Z: 31 18.515 2.044 0.644 0.380 0.900 0.467 CA 1.269 31 residues pruned to eliminate duplicates Z: 46 27.524 2.095 0.571 0.409 0.889 0.511 CA 1.543 46 residues pruned to eliminate duplicates Z: 23 16.228 2.116 0.858 0.324 0.773 0.500 CA 1.383 23 residues pruned to eliminate duplicates Z: 41 22.116 2.014 0.765 0.418 0.875 0.525 CA 1.224 41 residues pruned to eliminate duplicates Z: 62 35.194 2.060 0.512 0.572 0.951 0.689 CA 1.420 62 residues pruned to eliminate duplicates Z: 30 18.236 2.055 0.690 0.384 0.793 0.448 CA 1.390 30 residues pruned to eliminate duplicates Z: 59 34.645 2.112 0.562 0.538 0.914 0.621 CA 1.454 59 residues pruned to eliminate duplicates Z: 60 39.227 2.151 0.583 0.564 0.915 0.644 CA 1.540 60 residues pruned to eliminate duplicates Z: 38 17.851 2.063 0.469 0.396 0.784 0.514 CA 1.379 38 residues pruned to eliminate duplicates Z: 42 23.615 2.086 0.628 0.387 0.829 0.488 CA 1.477 42 residues pruned to eliminate duplicates Z: 34 15.867 2.026 0.585 0.401 0.758 0.485 CA 1.260 34 residues pruned to eliminate duplicates Z: 44 33.096 2.154 0.497 0.616 0.884 0.744 CA 1.587 44 residues pruned to eliminate duplicates Z: 48 31.637 2.091 0.455 0.577 0.936 0.681 CA 1.504 48 residues pruned to eliminate duplicates Z: 52 32.100 2.125 0.440 0.548 0.922 0.608 CA 1.520 52 residues pruned to eliminate duplicates Z: 62 40.446 2.100 0.652 0.558 0.918 0.607 CA 1.538 62 residues pruned to eliminate duplicates Z: 63 39.504 2.081 0.653 0.541 0.903 0.613 CA 1.551 63 residues pruned to eliminate duplicates Z: 10 3.049 1.578 0.139 0.187 0.778 0.222 CA 1.058 10 residues pruned to eliminate duplicates Z: 55 37.952 2.076 0.700 0.544 0.907 0.648 CA 1.545 55 residues pruned to eliminate duplicates Z: 9 10.514 2.085 0.458 0.407 1.000 0.625 N 1.348 9 residues pruned to eliminate duplicates Z: 31 33.812 2.153 0.421 0.725 1.000 0.800 CA 1.648 31 residues pruned to eliminate duplicates Z: 9 7.611 1.945 0.460 0.436 0.875 0.500 N 1.157 9 residues pruned to eliminate duplicates Z: 36 32.974 2.119 0.508 0.662 0.886 0.714 CA 1.695 36 residues pruned to eliminate duplicates Z: 34 31.482 2.060 0.503 0.725 0.939 0.848 CA 1.537 34 residues pruned to eliminate duplicates Z: 35 36.392 2.032 0.635 0.709 0.971 0.794 CA 1.601 35 residues pruned to eliminate duplicates Z: 49 35.639 2.066 0.616 0.608 0.938 0.729 CA 1.483 49 residues pruned to eliminate duplicates Z: 32 37.135 2.154 0.826 0.689 0.935 0.742 CA 1.525 32 residues pruned to eliminate duplicates Z: 61 40.814 2.090 0.685 0.587 0.917 0.700 CA 1.501 62 residues pruned to eliminate duplicates Z: 23 37.828 2.128 0.549 0.904 1.000 0.773 CB 1.743 23 residues pruned to eliminate duplicates Z: 28 32.872 2.089 0.784 0.668 0.889 0.741 CA 1.634 28 residues pruned to eliminate duplicates Z: 31 45.681 2.185 0.855 0.772 0.967 0.733 CA 1.674 32 residues pruned to eliminate duplicates Z: 20 34.630 2.105 0.655 0.890 1.000 0.579 CB 1.640 20 residues pruned to eliminate duplicates Z: 37 32.206 2.045 0.636 0.633 0.889 0.639 CA 1.593 37 residues pruned to eliminate duplicates Z: 30 30.807 2.114 0.658 0.665 0.897 0.586 CB 1.563 30 residues pruned to eliminate duplicates Z: 31 43.156 2.155 0.813 0.751 0.967 0.700 CB 1.668 31 residues pruned to eliminate duplicates Z: 30 35.826 2.126 0.645 0.735 0.931 0.690 CB 1.654 30 residues pruned to eliminate duplicates Z: 32 39.296 2.087 0.788 0.741 0.935 0.613 CB 1.630 31 residues pruned to eliminate duplicates Z: 23 47.234 2.169 0.975 0.904 0.955 0.500 CB 1.754 23 residues pruned to eliminate duplicates Z: 23 36.410 2.098 0.847 0.899 0.909 0.591 CB 1.575 23 residues pruned to eliminate duplicates Z: 47 36.407 2.094 0.693 0.593 0.935 0.609 CA 1.482 47 residues pruned to eliminate duplicates Z: 24 37.574 2.149 0.836 0.841 0.957 0.739 CB 1.548 24 residues pruned to eliminate duplicates Z: 32 47.203 2.158 0.890 0.782 0.935 0.677 CB 1.734 32 residues pruned to eliminate duplicates Z: 22 48.510 2.198 0.953 0.938 1.000 0.571 CB 1.715 22 residues pruned to eliminate duplicates Z: 31 45.986 2.137 0.985 0.776 0.967 0.467 CB 1.605 31 residues pruned to eliminate duplicates Z: 35 39.609 2.070 0.744 0.700 0.941 0.412 CA 1.667 36 residues pruned to eliminate duplicates Z: 14 28.027 2.014 0.865 0.870 0.923 0.538 CB 1.636 13 residues pruned to eliminate duplicates Z: 22 44.807 2.186 1.084 0.894 0.905 0.476 CB 1.703 22 residues pruned to eliminate duplicates Z: 6 3.092 1.597 0.602 0.277 0.800 0.200 CB 0.869 4 residues pruned to eliminate duplicates Z: 7 3.560 1.586 1.117 0.215 0.667 0.333 C 0.908 7 residues pruned to eliminate duplicates Z: 11 14.694 2.106 0.661 0.536 0.800 0.600 CB 1.602 8 residues pruned to eliminate duplicates Z: 6 5.367 1.704 0.511 0.329 1.000 0.200 N 1.124 6 residues pruned to eliminate duplicates Z: 12 9.506 2.088 0.568 0.370 0.636 0.364 CB 1.581 12 residues pruned to eliminate duplicates Z: 64 39.800 2.194 0.516 0.565 0.889 0.571 CB 1.592 78 residues pruned to eliminate duplicates Z: 6 3.388 1.623 0.343 0.361 0.800 0.600 CA 1.009 6 residues pruned to eliminate duplicates Z: 66 47.336 2.190 0.664 0.583 0.938 0.677 CB 1.586 66 residues pruned to eliminate duplicates Z: 54 42.156 2.212 0.555 0.624 0.943 0.660 CB 1.588 54 residues pruned to eliminate duplicates Z: 66 42.970 2.167 0.646 0.563 0.923 0.569 CB 1.523 66 residues pruned to eliminate duplicates Z: 66 42.945 2.181 0.584 0.564 0.938 0.554 CB 1.544 66 residues pruned to eliminate duplicates Z: 25 30.287 2.226 0.544 0.657 0.958 0.500 CA 1.623 25 residues pruned to eliminate duplicates Z: 66 42.148 2.168 0.551 0.589 0.923 0.569 CB 1.547 66 residues pruned to eliminate duplicates Z: 65 40.524 2.182 0.555 0.573 0.906 0.531 CB 1.534 65 residues pruned to eliminate duplicates Z: 25 22.850 2.155 0.488 0.604 0.833 0.458 CA 1.581 25 residues pruned to eliminate duplicates Z: 22 23.847 2.153 0.619 0.565 0.905 0.381 CA 1.550 22 residues pruned to eliminate duplicates Z: 45 38.841 2.170 0.590 0.649 0.955 0.659 CB 1.547 45 residues pruned to eliminate duplicates Z: 74 47.193 2.191 0.649 0.547 0.945 0.548 CB 1.544 74 residues pruned to eliminate duplicates Z: 51 42.888 2.189 0.571 0.658 0.980 0.540 CB 1.554 51 residues pruned to eliminate duplicates Z: 66 42.081 2.166 0.582 0.559 0.954 0.492 CB 1.508 13 residues pruned to eliminate duplicates Z: 19 35.633 2.179 0.916 0.855 0.889 0.667 CB 1.670 19 residues pruned to eliminate duplicates Z: 72 49.526 2.218 0.672 0.555 0.944 0.606 CB 1.591 72 residues pruned to eliminate duplicates Z: 21 41.784 2.250 0.743 0.905 1.000 0.600 CA 1.696 21 residues pruned to eliminate duplicates Z: 65 44.641 2.200 0.673 0.558 0.922 0.453 CB 1.554 65 residues pruned to eliminate duplicates Z: 66 43.127 2.188 0.584 0.568 0.938 0.523 CB 1.539 66 residues pruned to eliminate duplicates Z: 66 45.469 2.167 0.617 0.585 0.954 0.554 CB 1.555 66 residues pruned to eliminate duplicates Z: 55 42.433 2.182 0.661 0.586 0.907 0.537 CB 1.616 55 residues pruned to eliminate duplicates Z: 44 42.304 2.213 0.624 0.677 0.977 0.605 CA 1.562 44 residues pruned to eliminate duplicates Z: 65 46.185 2.186 0.664 0.575 0.938 0.531 CB 1.575 65 residues pruned to eliminate duplicates Z: 37 42.621 2.191 0.742 0.745 0.944 0.639 CB 1.582 37 residues pruned to eliminate duplicates Z: 53 41.290 2.183 0.648 0.619 0.942 0.577 CB 1.508 52 residues pruned to eliminate duplicates Z: 25 39.011 2.149 0.902 0.813 0.958 0.625 CA 1.549 25 residues pruned to eliminate duplicates Z: 73 46.507 2.195 0.641 0.547 0.931 0.597 CA 1.562 73 residues pruned to eliminate duplicates Z: 73 49.568 2.205 0.714 0.561 0.931 0.569 CB 1.566 73 residues pruned to eliminate duplicates Z: 53 41.694 2.197 0.733 0.589 0.904 0.519 CB 1.543 53 residues pruned to eliminate duplicates Z: 54 43.284 2.209 0.591 0.618 0.962 0.585 CB 1.572 54 residues pruned to eliminate duplicates Z: 65 43.358 2.121 0.688 0.529 0.922 0.500 CB 1.597 46 residues pruned to eliminate duplicates Z: 11 15.218 2.052 0.462 0.717 0.900 0.500 CA 1.464 11 residues pruned to eliminate duplicates Z: 50 47.586 2.196 0.651 0.659 1.000 0.551 CB 1.617 50 residues pruned to eliminate duplicates Z: 55 41.104 2.182 0.668 0.596 0.907 0.593 CB 1.545 55 residues pruned to eliminate duplicates Z: 45 42.053 2.184 0.742 0.640 0.955 0.591 CA 1.531 45 residues pruned to eliminate duplicates Z: 54 39.122 2.187 0.518 0.613 0.943 0.528 CB 1.542 54 residues pruned to eliminate duplicates Z: 53 42.896 2.205 0.542 0.656 0.962 0.673 CA 1.574 53 residues pruned to eliminate duplicates Z: 66 50.544 2.186 0.706 0.604 0.954 0.723 CB 1.595 66 residues pruned to eliminate duplicates Z: 54 45.973 2.195 0.747 0.596 0.943 0.528 CB 1.593 54 residues pruned to eliminate duplicates Z: 40 51.044 2.267 0.906 0.744 0.949 0.538 CB 1.602 40 residues pruned to eliminate duplicates Z: 54 44.293 2.185 0.725 0.641 0.925 0.547 CB 1.530 9 residues pruned to eliminate duplicates Z: 6 4.852 1.758 0.410 0.500 1.000 0.800 CA 0.875 6 residues pruned to eliminate duplicates Z: 73 47.891 2.208 0.698 0.568 0.931 0.542 CB 1.514 73 residues pruned to eliminate duplicates Z: 16 14.558 1.929 0.678 0.405 0.933 0.600 CB 1.375 16 residues pruned to eliminate duplicates Z: 24 21.130 2.225 0.688 0.384 0.826 0.522 CB 1.606 24 residues pruned to eliminate duplicates Z: 63 48.409 2.241 0.740 0.570 0.952 0.516 CB 1.549 63 residues pruned to eliminate duplicates Z: 24 16.210 2.089 0.662 0.279 0.826 0.478 CB 1.513 24 residues pruned to eliminate duplicates Z: 24 20.727 2.151 0.745 0.366 0.870 0.478 CA 1.528 24 residues pruned to eliminate duplicates Z: 22 18.156 2.200 0.604 0.349 0.857 0.476 CB 1.543 22 residues pruned to eliminate duplicates Z: 25 18.604 2.141 0.695 0.328 0.875 0.375 CB 1.445 25 residues pruned to eliminate duplicates Z: 23 17.199 2.175 0.556 0.314 0.909 0.455 CA 1.464 23 residues pruned to eliminate duplicates Z: 72 46.972 2.225 0.706 0.542 0.930 0.563 CB 1.517 72 residues pruned to eliminate duplicates Z: 69 43.819 2.172 0.702 0.492 0.897 0.588 CA 1.615 69 residues pruned to eliminate duplicates Z: 70 45.701 2.162 0.760 0.544 0.942 0.522 CB 1.470 70 residues pruned to eliminate duplicates Z: 22 18.469 2.221 0.555 0.353 0.905 0.429 CB 1.511 22 residues pruned to eliminate duplicates Z: 31 22.144 2.169 0.754 0.340 0.833 0.567 CB 1.519 31 residues pruned to eliminate duplicates Z: 23 21.486 2.224 0.744 0.331 0.864 0.409 CA 1.646 23 residues pruned to eliminate duplicates Z: 32 20.911 2.161 0.663 0.309 0.871 0.419 CB 1.482 32 residues pruned to eliminate duplicates Z: 25 19.486 2.175 0.645 0.299 0.875 0.375 CB 1.589 25 residues pruned to eliminate duplicates Z: 24 19.636 2.177 0.669 0.335 0.913 0.565 CB 1.478 24 residues pruned to eliminate duplicates Z: 29 17.539 2.170 0.483 0.302 0.857 0.464 CB 1.499 29 residues pruned to eliminate duplicates Z: 31 16.412 1.915 0.537 0.385 0.800 0.467 CB 1.438 31 residues pruned to eliminate duplicates Z: 36 24.534 2.129 0.603 0.369 0.886 0.600 CB 1.579 36 residues pruned to eliminate duplicates Z: 42 28.834 2.108 0.389 0.606 0.902 0.634 CB 1.542 42 residues pruned to eliminate duplicates Z: 49 32.081 2.173 0.406 0.561 0.875 0.625 CB 1.632 49 residues pruned to eliminate duplicates Z: 54 28.743 2.099 0.340 0.527 0.887 0.585 CB 1.542 54 residues pruned to eliminate duplicates Z: 27 25.841 2.101 0.329 0.699 0.923 0.692 CB 1.640 27 residues pruned to eliminate duplicates Z: 34 19.262 1.964 0.202 0.547 0.909 0.576 CB 1.492 34 residues pruned to eliminate duplicates Z: 27 21.947 2.083 0.204 0.666 0.923 0.654 CB 1.593 27 residues pruned to eliminate duplicates Z: 26 22.195 2.153 0.151 0.715 0.920 0.800 CB 1.602 26 residues pruned to eliminate duplicates Z: 29 28.308 2.105 0.368 0.737 0.929 0.571 CB 1.617 29 residues pruned to eliminate duplicates Z: 100 53.007 2.195 0.528 0.587 0.919 0.596 CA 1.590 100 residues pruned to eliminate duplicates Z: 22 19.420 2.142 0.213 0.686 1.000 0.762 CB 1.375 22 residues pruned to eliminate duplicates Z: 33 19.219 1.991 0.317 0.558 0.875 0.625 CB 1.399 33 residues pruned to eliminate duplicates Z: 22 22.480 2.201 0.431 0.717 0.857 0.714 CB 1.493 23 residues pruned to eliminate duplicates Z: 20 20.794 2.112 0.188 0.887 0.947 0.789 CB 1.448 20 residues pruned to eliminate duplicates Z: 22 18.547 2.147 0.262 0.697 0.905 0.762 CB 1.379 22 residues pruned to eliminate duplicates Z: 22 24.397 2.059 0.539 0.835 0.905 0.810 CA 1.391 22 residues pruned to eliminate duplicates Z: 26 25.503 2.169 0.417 0.721 0.880 0.800 CB 1.545 26 residues pruned to eliminate duplicates Z: 35 21.751 2.039 0.437 0.616 0.824 0.618 CB 1.385 46 residues pruned to eliminate duplicates Z: 20 26.199 2.109 0.565 0.892 0.947 0.737 CB 1.380 20 residues pruned to eliminate duplicates Z: 21 24.362 2.155 0.574 0.743 0.950 0.600 CB 1.361 21 residues pruned to eliminate duplicates Z: 29 25.655 2.105 0.550 0.654 0.893 0.571 CB 1.442 29 residues pruned to eliminate duplicates Z: 27 28.881 2.128 0.476 0.741 0.923 0.731 CB 1.574 27 residues pruned to eliminate duplicates Z: 26 29.127 2.171 0.523 0.748 0.920 0.640 CB 1.535 26 residues pruned to eliminate duplicates Z: 22 26.492 2.210 0.478 0.711 0.952 0.619 CB 1.534 22 residues pruned to eliminate duplicates Z: 19 32.885 2.247 0.741 0.857 0.944 0.667 CB 1.546 19 residues pruned to eliminate duplicates Z: 28 32.925 2.104 0.703 0.782 0.889 0.556 CB 1.551 28 residues pruned to eliminate duplicates Z: 26 23.311 2.062 0.693 0.653 0.840 0.600 CB 1.379 26 residues pruned to eliminate duplicates Z: 31 20.117 2.059 0.460 0.607 0.867 0.467 CB 1.273 31 residues pruned to eliminate duplicates Z: 32 23.008 2.030 0.557 0.597 0.871 0.484 CB 1.369 32 residues pruned to eliminate duplicates Z: 35 31.260 2.133 0.568 0.667 0.912 0.588 CB 1.507 47 residues pruned to eliminate duplicates Z: 14 13.597 2.044 0.283 0.644 0.923 0.615 CB 1.362 Z: 12 17.567 1.947 0.370 0.904 1.000 0.727 CA 1.413 12 residues pruned to eliminate duplicates Z: 11 16.600 2.048 0.422 0.915 0.900 0.700 CA 1.415 12 residues pruned to eliminate duplicates Z: 12 21.378 1.891 0.797 0.858 1.000 0.818 CB 1.398 13 residues pruned to eliminate duplicates Z: 12 15.382 1.999 0.410 0.868 0.818 0.636 CA 1.470 12 residues pruned to eliminate duplicates Z: 10 21.289 2.134 0.766 0.903 0.778 0.556 CB 1.726 10 residues pruned to eliminate duplicates Z: 31 32.824 2.115 0.770 0.711 0.867 0.400 CB 1.525 43 residues pruned to eliminate duplicates Z: 14 18.726 1.944 0.728 0.615 0.923 0.538 N 1.503 Z: 10 27.006 2.104 1.050 0.923 1.000 0.556 CA 1.466 14 residues pruned to eliminate duplicates Z: 10 27.605 2.098 1.151 0.874 1.000 0.444 CB 1.484 9 residues pruned to eliminate duplicates 593 residues left after pruning, divided into chains as follows: A: 10 B: 8 C: 7 D: 8 E: 17 F: 37 G: 15 H: 8 I: 10 J: 13 K: 38 L: 7 M: 10 N: 36 O: 16 P: 7 Q: 9 R: 24 S: 7 T: 60 U: 208 V: 11 W: 27 CC for partial structure against native data = 22.39 % ------------------------------------------------------------------------------ Global autotracing cycle 13 = 0.300, Contrast = 0.413, Connect. = 0.684 for dens.mod. cycle 1 = 0.300, Contrast = 0.473, Connect. = 0.704 for dens.mod. cycle 2 = 0.300, Contrast = 0.549, Connect. = 0.738 for dens.mod. cycle 3 = 0.300, Contrast = 0.555, Connect. = 0.743 for dens.mod. cycle 4 = 0.300, Contrast = 0.562, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.566, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.570, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.573, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.574, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.575, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6858 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1252 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 8 4.420 1.919 0.194 0.377 1.000 0.714 CB 0.831 B: 20 27.512 2.110 0.653 0.875 0.947 0.632 CB 1.389 C: 10 4.805 1.726 0.282 0.430 0.667 0.444 CB 1.166 D: 20 35.041 2.139 0.575 0.910 1.000 0.947 CB 1.692 E: 19 22.578 2.126 0.274 0.873 1.000 0.944 CB 1.431 19 residues pruned to eliminate duplicates F: 38 26.154 2.076 0.571 0.522 0.892 0.649 CA 1.446 G: 22 32.653 2.065 0.508 0.909 1.000 0.810 CA 1.625 22 residues pruned to eliminate duplicates H: 21 38.015 2.182 0.706 0.893 1.000 0.750 CA 1.640 I: 22 31.565 2.156 0.523 0.891 0.952 0.810 CB 1.583 22 residues pruned to eliminate duplicates J: 23 37.245 2.129 0.722 0.874 1.000 0.682 CA 1.577 21 residues pruned to eliminate duplicates K: 19 23.620 2.152 0.401 0.849 1.000 0.833 CB 1.369 19 residues pruned to eliminate duplicates L: 21 33.604 2.251 0.503 0.894 0.950 0.750 CB 1.677 22 residues pruned to eliminate duplicates M: 10 18.656 2.142 0.361 0.898 1.000 0.889 CA 1.526 N: 27 33.529 1.982 0.843 0.829 0.923 0.615 CB 1.467 27 residues pruned to eliminate duplicates O: 10 16.016 2.110 0.558 0.800 0.889 0.444 CB 1.406 P: 24 16.003 2.023 0.676 0.370 0.870 0.391 CA 1.302 Q: 20 10.728 1.933 0.481 0.352 0.842 0.421 CB 1.198 R: 10 18.345 2.156 0.353 0.883 1.000 0.889 CA 1.515 10 residues pruned to eliminate duplicates S: 20 36.384 2.260 0.588 0.888 1.000 0.789 CB 1.675 20 residues pruned to eliminate duplicates T: 10 17.399 1.911 0.987 0.846 0.889 0.778 CB 1.277 10 residues pruned to eliminate duplicates U: 18 38.962 2.279 0.944 0.894 0.941 0.588 CB 1.626 21 residues pruned to eliminate duplicates V: 21 34.054 2.222 0.465 0.872 1.000 0.800 CB 1.705 21 residues pruned to eliminate duplicates W: 21 25.817 2.103 0.563 0.894 1.000 0.750 CB 1.259 21 residues pruned to eliminate duplicates X: 20 38.870 2.314 0.572 0.902 1.000 0.789 CB 1.748 19 residues pruned to eliminate duplicates Y: 12 13.765 2.060 0.626 0.565 0.818 0.545 CA 1.422 Z: 18 28.188 2.225 0.554 0.871 1.000 0.824 CB 1.442 20 residues pruned to eliminate duplicates Z: 10 16.980 1.999 0.750 0.823 0.889 0.667 CB 1.376 10 residues pruned to eliminate duplicates Z: 21 41.564 2.273 0.929 0.908 0.900 0.500 CA 1.674 21 residues pruned to eliminate duplicates Z: 21 38.943 2.233 0.794 0.881 0.900 0.550 CA 1.748 20 residues pruned to eliminate duplicates Z: 14 7.860 1.830 0.380 0.439 0.846 0.462 CB 1.087 Z: 40 25.070 2.166 0.607 0.429 0.923 0.462 CB 1.345 24 residues pruned to eliminate duplicates Z: 9 7.700 1.605 0.807 0.435 0.750 0.375 O 1.339 9 residues pruned to eliminate duplicates Z: 20 10.038 2.031 0.509 0.342 0.789 0.526 CB 1.131 20 residues pruned to eliminate duplicates Z: 26 15.394 1.927 0.493 0.346 0.920 0.600 CA 1.374 Z: 6 4.702 1.769 0.255 0.480 0.800 0.600 CA 1.207 6 residues pruned to eliminate duplicates Z: 38 23.364 2.134 0.570 0.498 0.892 0.541 CB 1.288 38 residues pruned to eliminate duplicates Z: 38 22.222 2.061 0.443 0.484 0.838 0.568 CA 1.490 38 residues pruned to eliminate duplicates Z: 19 22.019 2.182 0.316 0.848 0.944 0.667 CB 1.420 19 residues pruned to eliminate duplicates Z: 24 30.906 1.966 0.540 0.888 0.957 0.870 CA 1.603 22 residues pruned to eliminate duplicates Z: 12 6.710 1.910 0.197 0.335 0.727 0.364 CB 1.457 Z: 19 31.069 2.150 0.727 0.925 1.000 0.889 CB 1.384 17 residues pruned to eliminate duplicates Z: 23 41.174 2.133 0.732 0.913 1.000 0.727 CA 1.683 22 residues pruned to eliminate duplicates Z: 10 8.058 2.037 0.489 0.433 0.778 0.667 CB 1.221 Z: 76 48.180 2.153 0.688 0.569 0.933 0.587 CA 1.534 61 residues pruned to eliminate duplicates Z: 15 15.094 1.903 0.676 0.584 0.929 0.500 CA 1.257 12 residues pruned to eliminate duplicates Z: 22 39.439 2.125 0.798 0.907 0.952 0.667 CA 1.681 22 residues pruned to eliminate duplicates Z: 12 26.616 2.204 0.454 0.918 1.000 0.727 CB 1.767 12 residues pruned to eliminate duplicates Z: 27 29.577 2.115 0.470 0.726 0.962 0.692 CB 1.582 19 residues pruned to eliminate duplicates Z: 26 17.268 1.966 0.662 0.439 0.920 0.600 CA 1.223 Z: 47 30.602 2.016 0.511 0.644 0.957 0.609 CB 1.353 16 residues pruned to eliminate duplicates Z: 12 19.671 1.898 0.833 0.866 0.909 0.455 CB 1.373 10 residues pruned to eliminate duplicates Z: 22 41.593 2.156 0.700 0.895 1.000 0.571 CA 1.775 22 residues pruned to eliminate duplicates Z: 25 14.327 1.942 0.515 0.372 0.792 0.500 CA 1.439 26 residues pruned to eliminate duplicates Z: 18 16.787 1.988 0.773 0.392 0.941 0.529 CA 1.376 19 residues pruned to eliminate duplicates Z: 25 11.040 1.772 0.626 0.362 0.708 0.333 CB 1.281 Z: 14 7.695 1.869 0.407 0.257 0.692 0.385 N 1.548 14 residues pruned to eliminate duplicates Z: 12 8.593 1.765 0.762 0.318 0.727 0.364 CA 1.400 12 residues pruned to eliminate duplicates Z: 10 5.107 1.806 0.269 0.450 0.778 0.333 CB 1.006 Z: 11 5.577 1.883 0.364 0.420 0.700 0.400 CB 1.067 11 residues pruned to eliminate duplicates Z: 31 20.713 2.097 0.419 0.424 0.867 0.567 CA 1.587 33 residues pruned to eliminate duplicates Z: 12 15.900 1.854 0.654 0.884 0.909 0.636 CA 1.243 11 residues pruned to eliminate duplicates Z: 21 20.254 1.866 0.494 0.902 1.000 0.950 CA 1.158 21 residues pruned to eliminate duplicates Z: 12 18.951 1.846 1.106 0.901 0.909 0.727 CB 1.154 12 residues pruned to eliminate duplicates Z: 29 15.242 1.971 0.386 0.460 0.857 0.536 CA 1.282 26 residues pruned to eliminate duplicates Z: 31 13.908 2.091 0.479 0.360 0.767 0.367 CB 1.245 12 residues pruned to eliminate duplicates Z: 24 20.719 2.063 0.520 0.399 0.957 0.522 CB 1.601 24 residues pruned to eliminate duplicates Z: 11 11.192 1.935 0.677 0.376 0.900 0.400 CA 1.383 11 residues pruned to eliminate duplicates Z: 28 19.477 2.040 0.506 0.407 0.852 0.667 CA 1.580 28 residues pruned to eliminate duplicates Z: 21 26.392 2.009 0.603 0.903 1.000 0.900 CB 1.306 19 residues pruned to eliminate duplicates Z: 6 7.463 1.766 0.895 0.825 1.000 0.600 CA 0.753 6 residues pruned to eliminate duplicates Z: 18 14.070 1.991 0.559 0.372 0.882 0.412 CB 1.429 18 residues pruned to eliminate duplicates Z: 22 15.816 2.046 0.670 0.367 0.857 0.619 CB 1.360 17 residues pruned to eliminate duplicates Z: 19 36.191 2.219 0.753 0.914 0.944 0.778 CB 1.643 19 residues pruned to eliminate duplicates Z: 23 46.505 2.124 0.897 0.922 1.000 0.500 CB 1.730 23 residues pruned to eliminate duplicates Z: 14 11.244 1.898 0.745 0.487 0.769 0.692 CB 1.241 15 residues pruned to eliminate duplicates Z: 20 35.769 2.247 0.864 0.904 0.895 0.789 CB 1.560 20 residues pruned to eliminate duplicates Z: 21 39.731 2.215 0.612 0.919 1.000 0.700 CB 1.753 21 residues pruned to eliminate duplicates Z: 19 9.247 1.933 0.306 0.423 0.833 0.500 CB 1.123 19 residues pruned to eliminate duplicates Z: 6 7.819 2.003 0.788 0.543 0.800 0.600 CB 1.170 6 residues pruned to eliminate duplicates Z: 21 41.958 2.215 0.905 0.916 1.000 0.450 CA 1.571 21 residues pruned to eliminate duplicates Z: 9 12.117 1.879 0.448 0.840 0.875 0.500 CB 1.343 9 residues pruned to eliminate duplicates Z: 21 15.709 1.907 0.538 0.414 0.850 0.650 CB 1.541 21 residues pruned to eliminate duplicates Z: 13 8.845 1.932 0.456 0.381 0.750 0.500 CB 1.374 6 residues pruned to eliminate duplicates Z: 20 15.657 1.901 0.389 0.459 0.842 0.579 CA 1.684 20 residues pruned to eliminate duplicates Z: 21 23.518 2.122 0.570 0.537 0.950 0.550 CB 1.602 22 residues pruned to eliminate duplicates Z: 14 20.537 1.948 0.596 0.834 0.846 0.769 CB 1.624 14 residues pruned to eliminate duplicates Z: 20 28.798 2.023 0.642 0.877 0.895 0.789 CA 1.615 20 residues pruned to eliminate duplicates Z: 19 9.835 1.639 0.682 0.466 0.944 0.500 CB 0.922 9 residues pruned to eliminate duplicates Z: 9 4.972 1.978 -0.060 0.508 0.625 0.500 CB 1.501 5 residues pruned to eliminate duplicates Z: 32 23.560 2.058 0.377 0.567 0.935 0.677 CB 1.496 32 residues pruned to eliminate duplicates Z: 26 13.029 1.935 0.409 0.383 0.880 0.560 CB 1.230 24 residues pruned to eliminate duplicates Z: 11 14.010 2.129 0.190 0.832 0.900 0.400 CB 1.459 11 residues pruned to eliminate duplicates Z: 9 13.812 1.854 0.755 0.875 1.000 1.000 CA 1.092 9 residues pruned to eliminate duplicates Z: 9 4.957 1.667 0.158 0.625 1.000 0.500 CB 0.807 Z: 22 30.690 2.030 0.545 0.879 1.000 0.810 CA 1.548 22 residues pruned to eliminate duplicates Z: 10 12.743 2.119 0.424 0.858 0.889 0.667 CB 1.167 10 residues pruned to eliminate duplicates Z: 18 31.666 2.136 0.588 0.911 1.000 0.824 CA 1.605 18 residues pruned to eliminate duplicates Z: 36 31.521 2.078 0.649 0.649 0.886 0.600 CA 1.528 23 residues pruned to eliminate duplicates Z: 6 9.185 1.871 0.773 0.830 1.000 1.000 CB 0.931 Z: 24 18.698 1.992 0.505 0.500 0.913 0.522 CA 1.424 24 residues pruned to eliminate duplicates Z: 38 19.749 2.052 0.536 0.385 0.838 0.405 CB 1.389 32 residues pruned to eliminate duplicates Z: 39 26.068 2.008 0.699 0.503 0.895 0.658 CA 1.382 39 residues pruned to eliminate duplicates Z: 20 44.402 2.290 0.837 0.922 1.000 0.737 CB 1.702 20 residues pruned to eliminate duplicates Z: 36 17.028 2.039 0.207 0.354 0.886 0.486 CB 1.546 Z: 10 13.869 2.032 0.467 0.900 0.889 0.778 CB 1.247 10 residues pruned to eliminate duplicates Z: 9 13.035 2.013 0.378 0.782 1.000 0.750 CB 1.296 9 residues pruned to eliminate duplicates Z: 10 7.521 1.864 0.153 0.448 0.889 0.556 CB 1.385 Z: 9 12.225 1.954 0.549 0.627 0.875 0.750 CA 1.448 9 residues pruned to eliminate duplicates Z: 9 7.067 1.993 0.389 0.426 0.875 0.375 CB 1.114 Z: 11 7.572 1.770 0.134 0.531 1.000 0.500 CB 1.157 11 residues pruned to eliminate duplicates Z: 24 8.604 1.920 -0.016 0.309 0.826 0.304 CB 1.421 24 residues pruned to eliminate duplicates Z: 12 16.286 1.638 1.098 0.777 0.909 0.455 CA 1.230 11 residues pruned to eliminate duplicates Z: 38 24.596 2.082 0.462 0.518 0.865 0.595 CA 1.510 42 residues pruned to eliminate duplicates Z: 50 42.515 2.207 0.716 0.629 0.898 0.531 CB 1.582 50 residues pruned to eliminate duplicates Z: 20 15.679 1.994 0.401 0.400 0.947 0.474 CB 1.510 20 residues pruned to eliminate duplicates Z: 20 36.921 2.311 0.519 0.900 1.000 0.895 CA 1.722 20 residues pruned to eliminate duplicates Z: 6 3.217 1.727 -0.070 0.296 1.000 0.600 CB 1.125 Z: 22 31.087 2.154 0.475 0.888 1.000 0.857 CB 1.537 22 residues pruned to eliminate duplicates Z: 18 32.680 2.132 0.937 0.899 1.000 0.647 CB 1.372 21 residues pruned to eliminate duplicates Z: 48 29.713 2.058 0.549 0.501 0.915 0.489 CB 1.483 48 residues pruned to eliminate duplicates Z: 8 12.198 1.767 0.407 0.841 1.000 0.857 CB 1.383 Z: 20 12.618 2.097 0.514 0.309 0.842 0.474 CB 1.338 20 residues pruned to eliminate duplicates Z: 9 10.051 1.937 0.380 0.723 0.750 0.500 CB 1.449 9 residues pruned to eliminate duplicates Z: 22 15.452 2.089 0.537 0.390 0.857 0.667 CB 1.376 22 residues pruned to eliminate duplicates Z: 20 17.368 1.985 0.579 0.368 0.895 0.579 CB 1.637 20 residues pruned to eliminate duplicates Z: 10 12.163 2.045 0.666 0.562 0.778 0.667 CB 1.440 10 residues pruned to eliminate duplicates Z: 22 17.823 1.898 0.440 0.863 1.000 0.619 CA 1.043 22 residues pruned to eliminate duplicates Z: 12 17.487 1.958 0.644 0.800 1.000 0.545 CB 1.260 12 residues pruned to eliminate duplicates Z: 19 22.078 2.149 0.297 0.860 0.944 0.833 CB 1.453 19 residues pruned to eliminate duplicates Z: 66 42.863 2.189 0.568 0.579 0.908 0.692 CB 1.581 66 residues pruned to eliminate duplicates Z: 23 21.847 2.071 0.518 0.512 0.909 0.591 CA 1.609 23 residues pruned to eliminate duplicates Z: 13 7.503 1.969 0.267 0.409 0.833 0.750 CB 1.145 13 residues pruned to eliminate duplicates Z: 74 40.099 2.161 0.581 0.534 0.890 0.521 CB 1.493 74 residues pruned to eliminate duplicates Z: 10 7.499 1.977 0.268 0.392 0.778 0.333 CB 1.438 10 residues pruned to eliminate duplicates Z: 8 5.327 1.792 -0.233 0.603 0.857 0.571 CB 1.549 Z: 23 11.148 1.810 0.140 0.358 0.955 0.545 CB 1.406 22 residues pruned to eliminate duplicates Z: 18 17.783 1.775 0.847 0.881 0.824 0.353 CA 1.157 18 residues pruned to eliminate duplicates Z: 22 36.085 2.162 0.633 0.894 0.905 0.714 CB 1.769 22 residues pruned to eliminate duplicates Z: 20 40.296 2.283 0.659 0.927 1.000 0.842 CA 1.711 20 residues pruned to eliminate duplicates Z: 29 21.184 2.057 0.363 0.509 1.000 0.500 CB 1.416 29 residues pruned to eliminate duplicates Z: 9 7.656 1.831 0.193 0.515 0.875 0.750 CB 1.396 9 residues pruned to eliminate duplicates Z: 35 16.336 2.013 0.214 0.365 0.853 0.500 CB 1.554 35 residues pruned to eliminate duplicates Z: 33 17.954 2.012 0.411 0.389 0.844 0.500 CB 1.491 36 residues pruned to eliminate duplicates Z: 13 16.321 1.816 1.020 0.860 0.833 0.583 CA 1.133 13 residues pruned to eliminate duplicates Z: 20 18.756 1.928 0.391 0.854 0.947 0.684 CA 1.251 20 residues pruned to eliminate duplicates Z: 14 12.436 1.883 0.316 0.785 0.846 0.385 CB 1.280 14 residues pruned to eliminate duplicates Z: 19 7.341 1.910 -0.046 0.287 0.833 0.444 CB 1.448 19 residues pruned to eliminate duplicates Z: 12 17.031 1.950 0.537 0.846 0.909 0.818 CA 1.400 12 residues pruned to eliminate duplicates Z: 14 9.374 1.964 0.110 0.443 1.000 0.692 CB 1.265 14 residues pruned to eliminate duplicates Z: 19 8.143 1.884 0.287 0.227 0.833 0.333 CB 1.307 22 residues pruned to eliminate duplicates Z: 6 11.946 2.009 0.759 0.835 1.000 1.000 CA 1.133 6 residues pruned to eliminate duplicates Z: 8 4.814 2.047 0.229 0.758 0.429 0.429 CB 1.343 8 residues pruned to eliminate duplicates Z: 14 14.963 1.948 0.594 0.490 0.923 0.769 CA 1.462 15 residues pruned to eliminate duplicates Z: 9 12.853 2.004 0.405 0.597 1.000 1.000 CB 1.471 9 residues pruned to eliminate duplicates Z: 7 5.823 1.626 0.746 0.769 0.833 0.667 CB 0.792 Z: 12 5.903 1.747 0.293 0.401 0.818 0.455 CA 1.069 8 residues pruned to eliminate duplicates Z: 12 15.053 2.016 0.308 0.509 1.000 0.818 CA 1.706 12 residues pruned to eliminate duplicates Z: 31 19.265 1.984 0.391 0.506 0.933 0.467 CA 1.358 31 residues pruned to eliminate duplicates Z: 9 8.814 1.951 0.290 0.527 1.000 0.500 CB 1.206 10 residues pruned to eliminate duplicates Z: 21 36.509 2.225 0.881 0.869 0.850 0.550 CA 1.677 21 residues pruned to eliminate duplicates Z: 9 9.519 1.843 0.307 0.787 0.875 0.625 CB 1.241 9 residues pruned to eliminate duplicates Z: 9 5.329 1.920 -0.030 0.718 0.625 0.375 CB 1.329 9 residues pruned to eliminate duplicates Z: 29 17.899 2.037 0.256 0.545 0.964 0.536 CB 1.312 29 residues pruned to eliminate duplicates Z: 86 45.923 2.116 0.612 0.514 0.918 0.576 CA 1.569 89 residues pruned to eliminate duplicates Z: 11 15.881 1.980 0.654 0.730 0.900 0.700 CB 1.385 11 residues pruned to eliminate duplicates Z: 9 12.956 1.925 0.624 0.864 1.000 0.750 CA 1.074 11 residues pruned to eliminate duplicates 6 1.950 1.802 -0.052 0.286 0.800 0.400 N 0.812 ? Z: 21 15.489 2.020 0.337 0.536 0.800 0.550 CA 1.548 21 residues pruned to eliminate duplicates Z: 17 8.933 1.978 0.342 0.359 0.688 0.375 CB 1.426 17 residues pruned to eliminate duplicates Z: 18 20.583 1.865 0.795 0.805 0.765 0.588 CB 1.495 18 residues pruned to eliminate duplicates Z: 16 9.537 1.864 0.500 0.359 0.867 0.400 CB 1.183 16 residues pruned to eliminate duplicates Z: 6 7.388 1.831 0.388 0.676 0.800 0.600 N 1.382 Z: 11 7.830 1.702 0.302 0.414 0.900 0.400 CA 1.358 11 residues pruned to eliminate duplicates Z: 40 18.868 2.081 0.549 0.376 0.744 0.410 CB 1.439 40 residues pruned to eliminate duplicates Z: 15 23.979 1.967 0.701 0.835 1.000 0.643 CA 1.435 15 residues pruned to eliminate duplicates Z: 33 16.435 2.002 0.182 0.362 0.969 0.531 CB 1.471 33 residues pruned to eliminate duplicates Z: 8 4.527 1.698 0.199 0.237 0.857 0.286 CB 1.330 5 residues pruned to eliminate duplicates Z: 38 13.922 1.953 0.171 0.300 0.892 0.432 CB 1.402 36 residues pruned to eliminate duplicates Z: 21 14.728 1.899 0.325 0.402 0.950 0.550 CB 1.527 20 residues pruned to eliminate duplicates Z: 20 32.653 2.125 0.555 0.907 0.947 0.895 CA 1.700 20 residues pruned to eliminate duplicates Z: 12 8.613 2.114 0.399 0.417 0.727 0.545 CB 1.316 12 residues pruned to eliminate duplicates Z: 8 7.198 1.882 0.641 0.593 0.571 0.429 CA 1.411 Z: 23 16.992 1.989 0.602 0.380 0.909 0.591 CA 1.421 24 residues pruned to eliminate duplicates Z: 22 25.731 1.946 0.553 0.880 0.905 0.476 CB 1.489 22 residues pruned to eliminate duplicates Z: 10 7.000 1.884 0.617 0.359 0.667 0.444 CA 1.337 7 residues pruned to eliminate duplicates Z: 10 10.201 1.762 0.110 0.666 1.000 0.778 CA 1.491 8 residues pruned to eliminate duplicates Z: 9 8.950 1.891 0.172 0.831 0.875 0.625 CA 1.226 9 residues pruned to eliminate duplicates Z: 9 8.144 1.856 0.547 0.481 0.875 0.625 CB 1.169 9 residues pruned to eliminate duplicates Z: 22 18.011 1.863 0.497 0.922 1.000 0.667 CA 0.991 22 residues pruned to eliminate duplicates Z: 9 5.543 1.773 0.066 0.445 0.875 0.500 CB 1.255 Z: 21 22.489 1.956 0.310 0.922 1.000 0.850 CB 1.380 21 residues pruned to eliminate duplicates Z: 17 8.367 1.907 0.098 0.432 0.812 0.312 CB 1.319 17 residues pruned to eliminate duplicates Z: 16 13.845 1.941 0.627 0.565 0.800 0.467 CA 1.329 16 residues pruned to eliminate duplicates Z: 21 16.142 2.043 0.449 0.543 0.850 0.600 CA 1.376 21 residues pruned to eliminate duplicates Z: 23 17.044 2.049 0.561 0.433 0.909 0.545 CA 1.339 24 residues pruned to eliminate duplicates Z: 21 15.992 1.928 0.483 0.423 0.900 0.550 CB 1.505 21 residues pruned to eliminate duplicates Z: 65 41.038 2.132 0.573 0.558 0.922 0.422 CB 1.568 65 residues pruned to eliminate duplicates Z: 22 17.893 2.037 0.523 0.576 0.810 0.524 CA 1.446 21 residues pruned to eliminate duplicates Z: 23 23.333 2.015 0.489 0.872 0.818 0.545 CB 1.477 23 residues pruned to eliminate duplicates Z: 38 24.143 2.059 0.443 0.506 0.919 0.676 CA 1.445 38 residues pruned to eliminate duplicates Z: 17 26.502 2.247 0.660 0.874 0.875 0.688 CB 1.478 17 residues pruned to eliminate duplicates Z: 8 8.939 1.879 0.532 0.459 0.857 0.571 CB 1.428 6 residues pruned to eliminate duplicates Z: 8 16.341 1.996 0.953 0.800 0.857 0.714 CA 1.422 8 residues pruned to eliminate duplicates Z: 10 4.250 1.824 0.161 0.612 1.000 0.667 CB 0.601 10 residues pruned to eliminate duplicates Z: 21 18.340 2.060 0.541 0.538 0.800 0.550 CA 1.555 21 residues pruned to eliminate duplicates Z: 9 6.558 1.681 0.407 0.515 0.750 0.625 CA 1.288 Z: 8 7.106 1.765 0.105 0.693 1.000 0.571 CB 1.154 8 residues pruned to eliminate duplicates Z: 6 3.221 1.809 0.044 0.696 0.600 0.600 CB 1.063 6 residues pruned to eliminate duplicates Z: 73 47.214 2.172 0.668 0.543 0.944 0.556 CA 1.559 73 residues pruned to eliminate duplicates Z: 7 7.422 1.624 0.433 0.564 1.000 0.667 N 1.223 6 residues pruned to eliminate duplicates Z: 13 7.326 1.915 0.043 0.374 0.750 0.583 CA 1.615 13 residues pruned to eliminate duplicates Z: 7 10.410 1.965 0.837 0.712 1.000 1.000 CA 0.972 7 residues pruned to eliminate duplicates Z: 12 6.360 1.737 0.981 0.348 0.727 0.545 CA 0.903 11 residues pruned to eliminate duplicates Z: 11 6.983 1.676 0.381 0.477 0.800 0.400 O 1.220 11 residues pruned to eliminate duplicates Z: 6 8.184 1.676 0.549 0.754 1.000 1.000 CA 1.124 6 residues pruned to eliminate duplicates Z: 16 11.255 2.003 0.329 0.423 0.867 0.467 CA 1.365 16 residues pruned to eliminate duplicates Z: 10 20.049 2.182 0.856 0.885 1.000 0.778 CB 1.192 10 residues pruned to eliminate duplicates Z: 11 11.996 1.758 0.627 0.764 1.000 0.600 CA 1.049 10 residues pruned to eliminate duplicates Z: 6 4.517 1.639 0.021 0.759 1.000 0.800 CA 0.958 6 residues pruned to eliminate duplicates Z: 10 12.409 1.803 0.639 0.731 0.778 0.667 CA 1.461 10 residues pruned to eliminate duplicates Z: 26 18.825 2.021 0.362 0.441 0.920 0.600 CA 1.580 26 residues pruned to eliminate duplicates Z: 7 7.686 1.849 0.380 0.556 0.833 0.167 CA 1.397 Z: 6 8.102 1.821 0.440 0.738 1.000 0.600 CA 1.116 Z: 6 10.418 1.718 0.733 0.776 1.000 1.000 CB 1.227 Z: 9 6.275 1.686 0.090 0.473 0.875 0.375 CB 1.419 9 residues pruned to eliminate duplicates Z: 7 5.323 1.635 0.603 0.389 0.667 0.500 CB 1.399 Z: 11 6.856 1.570 0.084 0.728 1.000 0.700 CB 1.038 11 residues pruned to eliminate duplicates Z: 20 41.702 2.304 0.816 0.907 0.947 0.632 CB 1.715 20 residues pruned to eliminate duplicates Z: 8 3.669 1.859 0.208 0.450 0.571 0.429 CB 1.137 8 residues pruned to eliminate duplicates Z: 10 9.218 1.717 0.635 0.624 0.778 0.556 CB 1.252 Z: 8 2.861 1.361 0.437 0.297 0.714 0.286 N 0.971 8 residues pruned to eliminate duplicates Z: 23 16.542 2.022 0.667 0.416 0.864 0.636 CA 1.323 26 residues pruned to eliminate duplicates Z: 22 7.723 1.944 0.065 0.335 0.714 0.476 CB 1.365 22 residues pruned to eliminate duplicates Z: 22 35.063 2.158 0.876 0.889 0.857 0.619 CB 1.587 22 residues pruned to eliminate duplicates Z: 34 17.210 1.996 0.245 0.377 0.909 0.545 CB 1.513 34 residues pruned to eliminate duplicates Z: 6 2.901 1.552 0.488 0.378 0.600 0.400 CB 1.067 Z: 32 13.443 1.936 0.333 0.334 0.871 0.516 CA 1.288 32 residues pruned to eliminate duplicates Z: 16 15.497 2.066 0.746 0.372 0.867 0.667 CA 1.467 16 residues pruned to eliminate duplicates Z: 15 14.939 2.000 0.413 0.553 1.000 0.643 CB 1.342 15 residues pruned to eliminate duplicates Z: 36 17.978 2.144 0.538 0.364 0.800 0.343 CB 1.334 36 residues pruned to eliminate duplicates Z: 7 7.509 1.784 0.573 0.641 1.000 0.833 CB 0.957 7 residues pruned to eliminate duplicates Z: 66 37.670 2.118 0.487 0.564 0.892 0.615 CB 1.561 66 residues pruned to eliminate duplicates Z: 10 10.087 1.862 0.627 0.737 0.889 0.667 CA 1.009 10 residues pruned to eliminate duplicates Z: 9 8.174 1.949 0.164 0.648 0.875 0.625 CB 1.268 9 residues pruned to eliminate duplicates Z: 41 14.809 2.030 0.473 0.324 0.750 0.450 CB 1.266 41 residues pruned to eliminate duplicates Z: 14 13.671 2.064 0.595 0.445 0.923 0.615 CA 1.321 14 residues pruned to eliminate duplicates Z: 21 20.992 1.957 0.408 0.862 0.950 0.650 CA 1.316 21 residues pruned to eliminate duplicates Z: 19 6.840 1.845 0.019 0.315 0.778 0.389 CA 1.352 19 residues pruned to eliminate duplicates Z: 11 14.519 2.051 0.438 0.845 1.000 0.400 CB 1.158 11 residues pruned to eliminate duplicates Z: 6 4.010 1.738 0.162 0.648 0.800 0.800 CB 0.967 Z: 15 13.259 1.928 0.461 0.645 0.857 0.643 CA 1.282 15 residues pruned to eliminate duplicates Z: 10 5.076 1.552 0.589 0.250 0.889 0.333 CB 1.029 Z: 6 5.385 1.839 0.272 0.457 0.800 0.600 CB 1.345 6 residues pruned to eliminate duplicates Z: 13 16.048 1.846 0.598 0.709 1.000 0.667 CA 1.298 13 residues pruned to eliminate duplicates Z: 7 7.200 1.957 0.734 0.453 0.833 0.667 CA 1.091 5 residues pruned to eliminate duplicates Z: 63 35.206 2.037 0.557 0.557 0.919 0.597 CA 1.450 63 residues pruned to eliminate duplicates Z: 10 9.348 1.954 0.271 0.444 1.000 0.667 CA 1.328 10 residues pruned to eliminate duplicates Z: 23 12.700 2.062 0.500 0.388 0.818 0.500 CB 1.204 23 residues pruned to eliminate duplicates Z: 7 20.606 1.870 1.173 0.865 1.000 0.667 CB 1.516 7 residues pruned to eliminate duplicates Z: 6 2.127 1.389 0.055 0.448 0.800 0.400 N 0.856 Z: 35 38.906 2.158 0.683 0.732 0.971 0.647 CB 1.537 35 residues pruned to eliminate duplicates Z: 34 29.614 2.065 0.690 0.609 0.848 0.576 CA 1.570 34 residues pruned to eliminate duplicates Z: 14 23.186 1.878 0.802 0.884 0.923 0.385 N 1.487 14 residues pruned to eliminate duplicates Z: 13 7.943 2.030 0.175 0.369 0.750 0.417 CB 1.475 13 residues pruned to eliminate duplicates Z: 10 12.079 1.845 0.528 0.832 1.000 0.778 CA 1.072 10 residues pruned to eliminate duplicates Z: 20 39.328 2.207 0.839 0.902 1.000 0.316 CB 1.585 20 residues pruned to eliminate duplicates Z: 58 41.291 2.150 0.680 0.567 0.930 0.544 CB 1.526 58 residues pruned to eliminate duplicates Z: 10 2.916 1.487 0.311 0.166 0.667 0.222 CA 1.123 Z: 17 11.335 2.079 0.255 0.482 0.812 0.688 CB 1.361 17 residues pruned to eliminate duplicates Z: 21 36.080 2.206 0.941 0.779 0.900 0.300 CB 1.637 21 residues pruned to eliminate duplicates Z: 14 8.617 1.799 0.241 0.446 0.846 0.615 CB 1.337 13 residues pruned to eliminate duplicates Z: 38 15.030 1.978 0.172 0.373 0.811 0.622 CB 1.505 38 residues pruned to eliminate duplicates Z: 10 7.960 2.028 0.349 0.425 0.778 0.556 CB 1.349 10 residues pruned to eliminate duplicates Z: 15 7.131 1.882 0.000 0.349 0.786 0.571 CB 1.518 15 residues pruned to eliminate duplicates Z: 7 3.332 1.805 0.366 0.383 0.667 0.500 CB 0.938 9 residues pruned to eliminate duplicates Z: 7 6.382 1.775 -0.046 0.806 1.000 0.667 CA 1.179 5 residues pruned to eliminate duplicates Z: 8 4.237 1.600 1.280 0.314 0.429 0.429 N 1.259 Z: 13 14.186 2.067 0.623 0.611 0.917 0.500 CB 1.199 13 residues pruned to eliminate duplicates Z: 17 9.390 1.898 0.183 0.353 0.812 0.562 CA 1.510 17 residues pruned to eliminate duplicates Z: 9 6.500 1.642 0.019 0.760 1.000 0.750 CB 1.090 9 residues pruned to eliminate duplicates Z: 10 4.282 1.610 0.282 0.338 0.667 0.556 C 1.238 8 residues pruned to eliminate duplicates Z: 17 9.000 1.885 0.258 0.405 0.812 0.562 CB 1.290 17 residues pruned to eliminate duplicates Z: 15 6.044 1.755 0.467 0.273 0.714 0.571 CA 1.136 15 residues pruned to eliminate duplicates Z: 8 3.889 1.756 -0.075 0.673 1.000 0.571 CB 0.771 8 residues pruned to eliminate duplicates Z: 22 43.247 2.210 0.858 0.909 1.000 0.667 CB 1.631 22 residues pruned to eliminate duplicates Z: 16 13.492 1.763 0.292 0.568 1.000 0.733 CB 1.432 16 residues pruned to eliminate duplicates Z: 6 2.796 1.398 0.537 0.290 0.800 0.400 N 0.921 Z: 29 17.117 1.884 0.455 0.508 0.929 0.536 CB 1.261 29 residues pruned to eliminate duplicates Z: 6 3.896 1.522 0.687 0.583 0.600 0.400 O 1.044 Z: 20 14.183 1.991 0.425 0.345 0.895 0.526 CB 1.517 20 residues pruned to eliminate duplicates Z: 7 3.774 1.419 0.994 0.500 0.833 0.667 CB 0.653 Z: 30 15.463 1.946 0.643 0.371 0.793 0.552 CA 1.301 30 residues pruned to eliminate duplicates Z: 7 13.405 1.902 0.686 0.714 1.000 0.500 CB 1.406 8 residues pruned to eliminate duplicates Z: 6 2.404 1.737 -0.223 0.477 0.600 0.600 CA 1.359 5 residues pruned to eliminate duplicates Z: 36 14.712 2.015 0.044 0.334 0.943 0.343 CB 1.503 36 residues pruned to eliminate duplicates Z: 12 9.135 1.674 0.263 0.808 1.000 0.727 CA 0.996 12 residues pruned to eliminate duplicates Z: 6 3.540 1.490 0.228 0.726 0.800 0.800 N 0.882 Z: 13 9.090 1.988 0.346 0.392 0.917 0.583 CB 1.199 12 residues pruned to eliminate duplicates Z: 22 10.416 1.966 0.158 0.334 0.810 0.429 CB 1.478 20 residues pruned to eliminate duplicates Z: 13 5.284 1.859 0.088 0.323 0.750 0.500 CB 1.221 13 residues pruned to eliminate duplicates Z: 7 2.946 1.568 -0.060 0.544 0.667 0.667 C 1.173 Z: 12 6.804 1.895 0.521 0.421 0.727 0.364 CB 1.063 12 residues pruned to eliminate duplicates Z: 11 14.525 2.120 0.678 0.520 1.000 0.600 CB 1.266 11 residues pruned to eliminate duplicates Z: 15 18.429 1.942 0.765 0.915 1.000 0.929 CA 1.015 15 residues pruned to eliminate duplicates Z: 27 10.298 1.952 0.288 0.315 0.769 0.346 CB 1.282 27 residues pruned to eliminate duplicates 6 1.548 1.695 0.299 0.303 0.600 0.400 CB 0.652 ? Z: 8 3.260 1.665 -0.128 0.324 0.857 0.429 N 1.202 6 residues pruned to eliminate duplicates Z: 10 7.389 1.828 0.297 0.426 0.778 0.333 N 1.443 10 residues pruned to eliminate duplicates Z: 10 4.284 1.809 0.117 0.313 0.778 0.222 CB 1.118 10 residues pruned to eliminate duplicates Z: 9 2.292 1.296 0.291 0.383 0.750 0.625 CB 0.731 7 residues pruned to eliminate duplicates Z: 20 41.113 2.245 1.062 0.872 0.895 0.263 CB 1.659 20 residues pruned to eliminate duplicates Z: 11 5.791 1.702 0.376 0.454 0.700 0.300 CA 1.170 9 residues pruned to eliminate duplicates Z: 14 12.963 2.019 0.471 0.558 0.846 0.692 CA 1.353 14 residues pruned to eliminate duplicates Z: 23 15.247 1.996 0.531 0.445 0.818 0.591 CA 1.375 23 residues pruned to eliminate duplicates Z: 30 19.883 2.111 0.570 0.427 0.828 0.586 CA 1.452 30 residues pruned to eliminate duplicates Z: 6 6.790 1.821 0.703 0.744 1.000 0.800 CA 0.787 7 residues pruned to eliminate duplicates Z: 21 48.350 2.143 1.127 0.924 1.000 0.500 CB 1.665 21 residues pruned to eliminate duplicates Z: 21 15.543 1.876 0.479 0.927 1.000 0.800 CA 0.877 21 residues pruned to eliminate duplicates Z: 32 14.856 2.056 0.593 0.338 0.774 0.387 CB 1.255 30 residues pruned to eliminate duplicates Z: 7 5.457 1.499 0.266 0.618 0.833 0.500 C 1.261 Z: 31 36.510 2.116 0.544 0.799 0.933 0.733 CA 1.683 31 residues pruned to eliminate duplicates Z: 6 3.348 1.543 -0.009 0.462 1.000 0.400 CB 1.018 Z: 8 4.176 1.896 -0.161 0.459 0.857 0.857 CB 1.207 Z: 13 14.445 1.931 0.271 0.777 1.000 0.833 CA 1.331 13 residues pruned to eliminate duplicates Z: 16 8.582 1.941 0.085 0.477 0.800 0.533 CA 1.345 16 residues pruned to eliminate duplicates Z: 11 19.079 1.919 0.670 0.835 1.000 0.700 CA 1.410 11 residues pruned to eliminate duplicates Z: 18 9.437 1.827 0.320 0.481 0.824 0.588 CA 1.174 18 residues pruned to eliminate duplicates Z: 10 28.279 2.122 0.999 0.907 1.000 0.667 CA 1.579 13 residues pruned to eliminate duplicates Z: 28 23.629 2.102 0.323 0.736 0.852 0.667 CB 1.554 28 residues pruned to eliminate duplicates 7 1.184 1.567 0.009 0.225 0.667 0.333 CB 0.633 ? Z: 11 6.131 1.692 0.366 0.507 0.700 0.600 CB 1.190 10 residues pruned to eliminate duplicates Z: 12 6.866 1.589 0.633 0.564 0.727 0.636 CA 1.031 9 residues pruned to eliminate duplicates Z: 9 5.337 1.724 0.222 0.413 0.750 0.500 CB 1.308 12 residues pruned to eliminate duplicates Z: 9 8.104 1.721 0.387 0.600 1.000 0.625 CA 1.091 Z: 37 27.540 2.067 0.567 0.487 0.944 0.611 CA 1.519 37 residues pruned to eliminate duplicates Z: 13 4.165 1.771 -0.004 0.368 0.750 0.250 CB 1.046 12 residues pruned to eliminate duplicates Z: 15 13.977 1.924 0.772 0.453 0.857 0.571 CB 1.342 10 residues pruned to eliminate duplicates Z: 16 6.840 1.751 0.742 0.316 0.800 0.467 CB 0.887 16 residues pruned to eliminate duplicates Z: 19 11.494 1.991 0.319 0.293 0.889 0.500 CA 1.463 19 residues pruned to eliminate duplicates Z: 6 4.759 1.805 0.299 0.573 0.800 0.400 CA 1.057 6 residues pruned to eliminate duplicates Z: 21 9.900 1.952 0.097 0.350 0.750 0.400 CB 1.622 21 residues pruned to eliminate duplicates Z: 8 3.580 1.435 0.655 0.337 0.571 0.429 N 1.191 6 residues pruned to eliminate duplicates Z: 66 39.957 2.090 0.696 0.555 0.862 0.400 CB 1.538 66 residues pruned to eliminate duplicates Z: 8 7.439 1.528 0.768 0.551 1.000 0.714 CB 0.990 8 residues pruned to eliminate duplicates Z: 42 32.896 2.100 0.636 0.495 0.976 0.585 CB 1.541 42 residues pruned to eliminate duplicates Z: 7 9.453 1.830 0.404 0.696 0.833 0.833 CA 1.507 7 residues pruned to eliminate duplicates Z: 7 10.382 1.728 0.789 0.767 1.000 0.667 CB 1.082 Z: 7 3.048 1.836 -0.237 0.248 0.833 0.333 CA 1.425 7 residues pruned to eliminate duplicates Z: 6 3.875 1.542 0.148 0.775 1.000 0.800 CA 0.768 6 residues pruned to eliminate duplicates Z: 9 6.566 1.703 0.662 0.419 0.750 0.625 N 1.190 9 residues pruned to eliminate duplicates Z: 7 2.868 1.655 -0.008 0.567 0.833 0.500 O 0.803 Z: 14 12.845 1.927 0.367 0.611 0.846 0.769 CA 1.439 13 residues pruned to eliminate duplicates Z: 6 4.823 1.753 0.806 0.280 0.800 0.600 CA 1.092 Z: 15 14.141 1.780 0.568 0.518 0.929 0.571 N 1.433 15 residues pruned to eliminate duplicates Z: 24 14.977 1.840 0.352 0.477 0.957 0.565 CB 1.343 24 residues pruned to eliminate duplicates Z: 6 2.993 1.650 0.428 0.256 0.800 0.200 CA 0.938 6 residues pruned to eliminate duplicates Z: 18 10.448 1.827 0.363 0.383 0.941 0.471 CB 1.224 18 residues pruned to eliminate duplicates Z: 19 9.382 1.748 0.374 0.512 0.778 0.556 CB 1.170 12 residues pruned to eliminate duplicates Z: 12 2.716 1.587 -0.037 0.351 0.818 0.364 CA 0.769 12 residues pruned to eliminate duplicates Z: 11 5.714 1.793 0.084 0.195 1.000 0.600 CB 1.339 11 residues pruned to eliminate duplicates Z: 15 11.752 1.898 0.689 0.567 0.857 0.643 CA 1.072 15 residues pruned to eliminate duplicates Z: 8 5.156 1.681 0.212 0.571 0.714 0.429 CB 1.251 8 residues pruned to eliminate duplicates Z: 6 7.842 2.109 -0.002 0.763 0.800 0.800 CB 1.649 6 residues pruned to eliminate duplicates Z: 6 7.988 1.581 0.939 0.846 0.800 0.600 CA 1.081 6 residues pruned to eliminate duplicates Z: 50 44.608 2.210 0.552 0.670 0.980 0.694 CB 1.621 60 residues pruned to eliminate duplicates Z: 13 9.931 1.965 0.198 0.564 0.750 0.500 CA 1.526 12 residues pruned to eliminate duplicates Z: 32 29.371 2.120 0.510 0.571 0.968 0.613 CA 1.591 32 residues pruned to eliminate duplicates Z: 8 11.467 1.833 0.318 0.613 1.000 0.857 CA 1.612 9 residues pruned to eliminate duplicates Z: 7 2.704 1.535 0.219 0.385 0.833 0.667 CB 0.799 6 0.879 1.254 0.910 0.322 0.600 0.600 C 0.333 ? Z: 8 4.672 1.645 0.123 0.485 0.857 0.429 CB 1.132 7 residues pruned to eliminate duplicates Z: 13 11.133 2.025 0.142 0.517 0.917 0.417 CA 1.490 13 residues pruned to eliminate duplicates Z: 45 46.589 2.197 0.721 0.691 0.955 0.545 CB 1.634 53 residues pruned to eliminate duplicates Z: 10 5.782 1.594 0.478 0.517 0.889 0.444 CB 0.905 6 residues pruned to eliminate duplicates Z: 15 11.691 1.896 0.460 0.431 0.857 0.429 CA 1.415 15 residues pruned to eliminate duplicates Z: 6 4.416 1.932 0.220 0.685 0.800 0.400 CB 0.884 6 residues pruned to eliminate duplicates Z: 12 5.906 1.730 0.432 0.218 0.727 0.364 CB 1.375 12 residues pruned to eliminate duplicates Z: 6 5.976 1.813 0.088 0.660 0.800 0.600 CB 1.460 6 residues pruned to eliminate duplicates Z: 30 18.535 2.099 0.613 0.352 0.897 0.517 CB 1.331 30 residues pruned to eliminate duplicates Z: 15 6.906 1.592 0.600 0.318 0.786 0.429 CB 1.127 15 residues pruned to eliminate duplicates Z: 6 3.558 1.655 0.391 0.436 0.800 0.400 CB 0.923 Z: 22 25.527 2.136 0.772 0.558 1.000 0.714 CA 1.391 11 residues pruned to eliminate duplicates Z: 24 9.499 1.874 0.462 0.274 0.783 0.435 CB 1.194 24 residues pruned to eliminate duplicates Z: 8 2.920 1.574 0.077 0.554 0.857 0.571 CB 0.721 8 residues pruned to eliminate duplicates Z: 7 2.092 1.315 0.131 0.249 0.833 0.500 CA 0.920 Z: 7 3.174 1.761 0.330 0.671 1.000 0.667 CB 0.472 7 residues pruned to eliminate duplicates Z: 39 22.372 1.989 0.473 0.450 0.868 0.605 CA 1.501 39 residues pruned to eliminate duplicates Z: 15 11.969 1.822 0.555 0.590 0.786 0.357 CB 1.318 15 residues pruned to eliminate duplicates Z: 21 27.001 2.188 0.650 0.822 0.800 0.600 CB 1.581 21 residues pruned to eliminate duplicates Z: 12 9.047 2.030 0.251 0.496 0.818 0.455 CB 1.318 12 residues pruned to eliminate duplicates Z: 17 6.940 1.718 0.280 0.413 0.750 0.562 CB 1.153 17 residues pruned to eliminate duplicates Z: 8 7.683 1.750 0.134 0.864 1.000 0.857 CB 1.072 8 residues pruned to eliminate duplicates Z: 6 3.962 1.826 0.110 0.340 1.000 0.600 CB 1.041 Z: 11 7.888 1.889 0.104 0.506 0.900 0.600 CB 1.321 11 residues pruned to eliminate duplicates Z: 7 5.344 1.758 0.213 0.631 0.833 0.667 CB 1.085 7 residues pruned to eliminate duplicates Z: 6 2.922 1.592 0.528 0.296 0.800 0.800 CB 0.843 Z: 15 12.243 1.873 0.583 0.870 0.714 0.500 CA 1.128 15 residues pruned to eliminate duplicates Z: 18 27.014 2.062 0.905 0.888 0.941 0.706 CB 1.277 18 residues pruned to eliminate duplicates Z: 20 15.566 1.976 0.519 0.445 0.947 0.526 CA 1.329 23 residues pruned to eliminate duplicates Z: 12 12.410 1.983 0.564 0.847 0.818 0.273 CB 1.094 12 residues pruned to eliminate duplicates Z: 9 4.829 1.870 0.452 0.360 0.750 0.500 CA 0.975 9 residues pruned to eliminate duplicates Z: 16 37.206 2.171 1.159 0.875 0.867 0.533 CB 1.719 16 residues pruned to eliminate duplicates Z: 38 22.356 2.009 0.500 0.464 0.892 0.541 CA 1.420 38 residues pruned to eliminate duplicates Z: 6 3.137 1.477 0.713 0.425 0.600 0.400 C 0.999 Z: 16 25.476 2.070 0.684 0.864 0.933 0.733 CB 1.482 16 residues pruned to eliminate duplicates Z: 16 8.592 1.903 0.267 0.403 0.800 0.533 CB 1.275 16 residues pruned to eliminate duplicates Z: 9 3.626 1.564 0.312 0.544 0.875 0.625 CB 0.684 9 residues pruned to eliminate duplicates Z: 11 4.608 1.699 0.481 0.328 0.900 0.400 CB 0.777 11 residues pruned to eliminate duplicates Z: 11 19.024 1.879 0.694 0.899 1.000 1.000 CB 1.351 11 residues pruned to eliminate duplicates 6 1.797 1.598 -0.187 0.463 0.600 0.600 CA 1.071 ? Z: 15 12.172 1.917 0.442 0.478 0.857 0.786 CA 1.403 15 residues pruned to eliminate duplicates Z: 7 3.358 1.651 -0.312 0.683 1.000 0.667 CA 1.020 5 residues pruned to eliminate duplicates Z: 18 20.173 1.920 0.622 0.892 1.000 0.706 CA 1.128 18 residues pruned to eliminate duplicates Z: 24 11.782 1.926 0.521 0.353 0.870 0.348 CB 1.130 24 residues pruned to eliminate duplicates Z: 20 16.758 2.017 0.390 0.524 0.842 0.579 CA 1.589 20 residues pruned to eliminate duplicates Z: 16 5.326 1.648 0.299 0.340 0.733 0.467 CB 1.043 6 residues pruned to eliminate duplicates 8 1.735 1.372 0.286 0.214 0.571 0.286 CB 0.912 ? Z: 7 3.936 1.479 0.817 0.248 0.667 0.500 CB 1.198 7 1.894 1.499 0.056 0.247 0.667 0.333 CB 0.981 ? Z: 11 6.802 1.821 0.360 0.467 0.800 0.600 CB 1.122 11 residues pruned to eliminate duplicates Z: 21 19.474 1.923 0.622 0.897 0.900 0.350 CA 1.111 21 residues pruned to eliminate duplicates Z: 6 4.226 1.745 0.307 0.402 0.800 0.800 N 1.148 6 residues pruned to eliminate duplicates Z: 11 11.132 1.856 0.283 0.628 1.000 0.400 CA 1.311 11 residues pruned to eliminate duplicates Z: 6 2.722 1.445 0.003 0.479 0.800 0.400 CA 1.072 Z: 7 2.918 1.472 0.485 0.539 0.833 0.500 CA 0.629 Z: 17 11.019 1.875 0.494 0.329 0.938 0.500 CB 1.266 18 residues pruned to eliminate duplicates Z: 9 5.172 1.716 -0.237 0.698 1.000 0.750 CB 1.166 Z: 22 43.970 2.175 0.814 0.916 1.000 0.667 CB 1.717 22 residues pruned to eliminate duplicates Z: 10 5.458 1.736 0.192 0.334 1.000 0.667 CA 1.055 7 residues pruned to eliminate duplicates Z: 13 4.870 1.608 0.262 0.375 0.750 0.500 N 1.056 13 residues pruned to eliminate duplicates Z: 20 18.153 2.050 0.145 0.785 0.947 0.789 CB 1.458 20 residues pruned to eliminate duplicates Z: 25 13.314 2.057 0.483 0.380 0.875 0.542 CB 1.157 25 residues pruned to eliminate duplicates 8 1.789 1.373 0.316 0.312 0.571 0.571 N 0.806 ? Z: 12 6.821 1.910 0.137 0.378 0.818 0.636 CB 1.318 12 residues pruned to eliminate duplicates Z: 6 2.320 1.693 -0.035 0.134 0.800 0.600 N 1.252 Z: 61 40.643 2.147 0.779 0.559 0.933 0.500 CB 1.390 61 residues pruned to eliminate duplicates Z: 13 6.700 1.754 0.751 0.296 0.750 0.417 CA 1.055 13 residues pruned to eliminate duplicates Z: 9 3.360 1.610 0.139 0.456 0.750 0.250 N 0.903 Z: 17 4.914 1.688 0.313 0.235 0.625 0.312 CB 1.207 17 residues pruned to eliminate duplicates Z: 16 12.086 1.982 0.700 0.482 0.867 0.733 CB 1.088 16 residues pruned to eliminate duplicates Z: 8 5.128 1.616 0.272 0.471 0.857 0.714 CB 1.133 Z: 42 24.199 2.012 0.432 0.459 0.951 0.512 CB 1.438 42 residues pruned to eliminate duplicates Z: 9 7.608 1.942 0.663 0.359 0.875 0.500 CB 1.107 12 residues pruned to eliminate duplicates Z: 11 6.666 1.827 0.384 0.562 0.800 0.600 CA 0.981 9 residues pruned to eliminate duplicates Z: 7 8.007 1.855 0.479 0.546 1.000 1.000 CB 1.139 6 residues pruned to eliminate duplicates Z: 7 2.047 1.465 0.163 0.539 1.000 0.833 CB 0.472 Z: 20 16.410 2.025 0.655 0.368 0.895 0.684 CB 1.448 20 residues pruned to eliminate duplicates Z: 11 22.162 2.143 0.701 0.896 1.000 1.000 CB 1.378 11 residues pruned to eliminate duplicates Z: 21 9.285 1.706 0.490 0.439 0.750 0.500 CB 1.160 21 residues pruned to eliminate duplicates Z: 9 4.595 1.767 0.275 0.276 0.750 0.500 N 1.239 6 residues pruned to eliminate duplicates 6 1.248 1.222 -0.169 0.481 0.800 0.800 C 0.700 ? Z: 10 6.221 1.764 0.192 0.447 0.778 0.444 CB 1.338 10 residues pruned to eliminate duplicates 7 1.399 0.973 0.614 0.365 0.833 0.500 N 0.504 ? Z: 8 2.920 1.521 0.220 0.351 0.571 0.571 O 1.223 Z: 22 20.861 2.131 0.758 0.378 0.905 0.476 CB 1.528 22 residues pruned to eliminate duplicates Z: 26 19.669 2.032 0.228 0.617 0.880 0.720 CA 1.603 26 residues pruned to eliminate duplicates Z: 12 7.128 1.873 0.275 0.454 0.727 0.455 CB 1.298 12 residues pruned to eliminate duplicates 7 1.626 1.423 -0.019 0.276 0.833 0.333 CB 0.735 ? Z: 17 24.728 1.994 0.789 0.864 0.938 0.500 CA 1.356 17 residues pruned to eliminate duplicates Z: 6 6.722 1.535 0.748 0.705 0.800 0.600 CA 1.162 6 residues pruned to eliminate duplicates Z: 9 3.118 1.637 0.096 0.318 0.750 0.375 CB 1.002 Z: 13 4.727 1.506 0.379 0.354 0.833 0.583 CB 0.924 Z: 12 5.595 1.714 0.057 0.381 0.909 0.545 CB 1.162 6 residues pruned to eliminate duplicates Z: 9 3.922 1.480 0.471 0.236 0.750 0.375 CB 1.154 Z: 7 8.562 1.713 0.216 0.820 1.000 0.833 CA 1.270 12 residues pruned to eliminate duplicates Z: 15 7.311 1.674 0.039 0.563 0.857 0.500 CB 1.233 5 residues pruned to eliminate duplicates Z: 9 5.179 1.597 0.318 0.297 0.875 0.375 C 1.247 7 residues pruned to eliminate duplicates Z: 7 2.820 1.490 0.159 0.083 1.000 0.333 C 1.143 Z: 6 3.224 1.498 0.242 0.629 0.800 0.800 N 0.858 6 residues pruned to eliminate duplicates Z: 16 37.073 2.219 0.995 0.929 0.933 0.400 CB 1.621 16 residues pruned to eliminate duplicates Z: 11 9.250 2.083 0.176 0.448 0.800 0.500 CB 1.574 11 residues pruned to eliminate duplicates Z: 8 2.058 1.426 0.026 0.416 0.571 0.571 C 1.015 Z: 10 4.975 1.575 0.045 0.504 0.889 0.778 CB 1.129 10 residues pruned to eliminate duplicates Z: 6 6.378 1.481 0.779 0.640 1.000 0.800 CB 0.950 Z: 9 2.859 1.531 0.198 0.218 0.750 0.250 N 1.022 Z: 6 2.060 1.192 0.665 0.299 0.800 0.600 N 0.726 Z: 7 6.135 1.691 0.572 0.473 1.000 0.833 N 0.969 7 residues pruned to eliminate duplicates Z: 10 4.704 1.643 0.117 0.379 0.778 0.333 CA 1.251 10 residues pruned to eliminate duplicates Z: 6 6.390 1.681 0.324 0.770 1.000 0.800 CA 1.011 6 residues pruned to eliminate duplicates Z: 15 23.756 1.957 0.793 0.820 1.000 0.786 CB 1.371 15 residues pruned to eliminate duplicates Z: 72 49.343 2.199 0.667 0.572 0.972 0.648 CB 1.533 72 residues pruned to eliminate duplicates Z: 9 4.157 1.529 0.267 0.320 0.875 0.375 CB 1.057 Z: 13 10.754 2.078 -0.021 0.523 0.917 0.500 CA 1.627 13 residues pruned to eliminate duplicates Z: 6 2.610 1.468 0.518 0.274 0.800 0.800 C 0.846 Z: 14 11.869 1.995 0.862 0.288 0.923 0.538 CB 1.218 14 residues pruned to eliminate duplicates Z: 7 4.184 1.447 0.311 0.661 0.667 0.667 CB 1.163 7 residues pruned to eliminate duplicates Z: 12 7.165 1.864 0.556 0.303 0.818 0.364 CA 1.134 12 residues pruned to eliminate duplicates Z: 7 2.387 1.608 0.203 0.536 1.000 0.500 CB 0.486 7 residues pruned to eliminate duplicates Z: 6 6.934 1.779 0.367 0.527 1.000 0.800 CA 1.242 7 residues pruned to eliminate duplicates Z: 6 5.705 1.753 0.017 0.869 1.000 1.000 N 1.046 Z: 10 3.417 1.457 0.635 0.227 0.778 0.444 CB 0.846 Z: 18 12.592 1.884 0.432 0.453 0.882 0.647 CA 1.346 18 residues pruned to eliminate duplicates 6 1.958 1.105 0.427 0.537 1.000 0.600 CB 0.535 ? Z: 11 4.455 1.587 0.470 0.505 0.900 0.700 CB 0.668 11 residues pruned to eliminate duplicates Z: 21 33.828 2.192 0.518 0.903 1.000 0.900 CA 1.620 21 residues pruned to eliminate duplicates Z: 6 2.187 1.259 0.491 0.541 0.600 0.400 CB 0.834 Z: 8 8.374 2.009 0.477 0.509 0.714 0.571 CA 1.479 10 residues pruned to eliminate duplicates Z: 44 20.773 1.957 0.551 0.375 0.860 0.488 CB 1.387 44 residues pruned to eliminate duplicates Z: 6 2.384 1.465 0.251 0.404 0.800 0.800 CB 0.804 6 residues pruned to eliminate duplicates Z: 30 15.989 1.879 0.307 0.622 0.793 0.379 CB 1.359 30 residues pruned to eliminate duplicates Z: 33 23.258 2.149 0.757 0.378 0.844 0.594 CB 1.470 33 residues pruned to eliminate duplicates Z: 13 7.687 2.011 0.572 0.412 0.750 0.500 CA 1.026 13 residues pruned to eliminate duplicates Z: 13 5.061 1.864 0.233 0.438 0.833 0.167 CB 0.813 13 residues pruned to eliminate duplicates Z: 18 7.923 1.708 0.641 0.321 0.706 0.353 CB 1.182 18 residues pruned to eliminate duplicates Z: 7 3.751 1.293 0.816 0.385 0.833 0.500 CB 0.884 Z: 8 3.844 1.312 0.850 0.256 0.857 0.571 CA 0.924 5 residues pruned to eliminate duplicates Z: 9 3.972 1.661 0.394 0.330 0.875 0.625 CB 0.835 9 residues pruned to eliminate duplicates 6 1.473 1.504 0.082 0.307 0.800 0.400 CB 0.627 ? Z: 6 3.527 1.515 0.292 0.417 0.800 0.600 N 1.100 6 1.184 1.027 0.208 0.300 0.800 0.600 CB 0.667 ? Z: 6 5.196 1.633 0.447 0.826 1.000 1.000 CA 0.741 6 residues pruned to eliminate duplicates Z: 34 27.262 1.998 0.764 0.596 0.909 0.455 CB 1.351 34 residues pruned to eliminate duplicates Z: 6 2.650 1.416 -0.125 0.307 1.000 0.800 C 1.186 Z: 20 9.121 1.857 0.336 0.353 0.737 0.526 CB 1.342 20 residues pruned to eliminate duplicates Z: 8 2.776 1.524 0.172 0.267 0.714 0.286 C 1.072 Z: 72 46.881 2.195 0.568 0.566 0.944 0.620 CA 1.607 72 residues pruned to eliminate duplicates Z: 6 2.764 1.541 0.340 0.463 0.600 0.600 N 1.036 Z: 6 6.103 1.955 0.416 0.252 1.000 0.800 CA 1.311 6 residues pruned to eliminate duplicates Z: 20 13.419 1.990 0.493 0.439 0.895 0.579 CA 1.233 20 residues pruned to eliminate duplicates Z: 6 8.046 1.912 0.310 0.634 0.800 0.800 CB 1.584 6 residues pruned to eliminate duplicates Z: 7 2.621 1.591 -0.064 0.461 0.833 0.500 CB 0.897 6 residues pruned to eliminate duplicates Z: 8 3.069 1.447 0.357 0.364 0.714 0.286 N 0.958 Z: 10 12.915 1.846 0.254 0.843 1.000 0.778 CB 1.385 10 residues pruned to eliminate duplicates Z: 11 16.411 1.920 0.605 0.665 1.000 0.700 CB 1.445 11 residues pruned to eliminate duplicates Z: 10 9.190 1.935 0.629 0.452 0.889 0.444 CB 1.148 10 residues pruned to eliminate duplicates Z: 8 4.215 1.469 0.743 0.412 0.714 0.429 CB 0.955 Z: 8 2.837 1.496 0.402 0.274 0.571 0.286 CA 1.155 8 residues pruned to eliminate duplicates Z: 7 6.485 1.612 0.670 0.462 0.833 0.667 CB 1.227 Z: 11 4.238 1.410 0.207 0.457 0.900 0.500 CB 0.914 Z: 10 9.984 1.785 0.461 0.718 1.000 0.667 CA 1.047 10 residues pruned to eliminate duplicates Z: 7 5.664 1.414 0.564 0.669 0.833 0.833 CB 1.073 7 residues pruned to eliminate duplicates 7 1.353 1.245 0.021 0.316 0.667 0.167 C 0.799 ? Z: 19 12.236 1.921 0.220 0.386 0.944 0.500 CB 1.471 19 residues pruned to eliminate duplicates Z: 8 9.287 1.941 0.554 0.707 1.000 0.571 CA 0.964 8 residues pruned to eliminate duplicates Z: 8 2.330 1.310 0.833 0.275 0.714 0.429 CA 0.662 4 residues pruned to eliminate duplicates Z: 9 5.614 1.424 0.811 0.532 1.000 0.500 CB 0.746 6 residues pruned to eliminate duplicates Z: 10 6.315 1.897 0.020 0.513 1.000 0.556 CB 1.073 10 residues pruned to eliminate duplicates Z: 20 12.190 1.983 0.459 0.475 0.789 0.474 CB 1.255 20 residues pruned to eliminate duplicates Z: 9 3.937 1.481 0.193 0.464 0.750 0.500 CB 1.090 Z: 11 19.548 1.880 0.669 0.887 1.000 0.900 CB 1.420 18 residues pruned to eliminate duplicates Z: 10 6.448 1.650 0.789 0.552 0.778 0.556 CB 0.890 10 residues pruned to eliminate duplicates Z: 6 4.528 1.502 0.632 0.440 0.800 0.600 N 1.098 Z: 10 5.128 1.493 0.106 0.562 0.889 0.667 CB 1.097 10 residues pruned to eliminate duplicates Z: 6 5.768 1.631 0.203 0.467 1.000 0.600 CA 1.359 Z: 9 7.125 1.585 0.514 0.527 0.875 0.625 CA 1.168 9 residues pruned to eliminate duplicates Z: 9 3.854 1.365 0.472 0.403 0.750 0.625 CA 1.001 Using tripeptides from previous cycle as seeds Z: 11 3.926 1.246 0.532 0.418 0.900 0.700 CA 0.787 11 residues pruned to eliminate duplicates Z: 14 10.032 1.615 0.330 0.607 0.923 0.615 CB 1.268 13 residues pruned to eliminate duplicates Z: 6 3.293 1.312 0.447 0.363 1.000 0.400 CA 0.898 6 residues pruned to eliminate duplicates Z: 10 8.425 1.770 0.230 0.650 0.889 0.556 CB 1.262 10 residues pruned to eliminate duplicates Z: 8 7.250 1.787 0.170 0.529 1.000 0.714 CB 1.274 8 residues pruned to eliminate duplicates Z: 8 10.700 1.768 0.298 0.798 1.000 0.857 CB 1.358 8 residues pruned to eliminate duplicates Z: 10 10.160 1.639 0.419 0.701 0.889 0.667 CB 1.364 10 residues pruned to eliminate duplicates Z: 7 3.888 1.807 0.067 0.453 0.833 0.500 CB 1.036 7 residues pruned to eliminate duplicates Z: 12 5.668 1.696 0.499 0.468 0.818 0.545 CB 0.848 12 residues pruned to eliminate duplicates Z: 6 2.171 1.674 0.179 0.548 0.600 0.600 CB 0.782 Z: 6 4.629 1.953 0.112 0.715 0.800 0.400 CB 0.981 12 residues pruned to eliminate duplicates Z: 7 9.488 1.984 0.264 0.762 1.000 0.333 CA 1.224 10 residues pruned to eliminate duplicates Z: 6 5.037 1.423 0.895 0.454 0.800 0.600 C 1.094 6 residues pruned to eliminate duplicates Z: 9 10.697 1.916 0.718 0.506 0.750 0.500 CA 1.523 10 residues pruned to eliminate duplicates Z: 6 4.776 1.683 0.566 0.260 0.800 0.400 CA 1.333 6 residues pruned to eliminate duplicates Z: 18 10.769 1.948 0.405 0.405 0.824 0.529 CB 1.281 18 residues pruned to eliminate duplicates Z: 17 10.830 2.041 0.388 0.378 0.875 0.375 CB 1.245 17 residues pruned to eliminate duplicates Z: 18 12.351 1.999 0.365 0.472 0.882 0.471 CB 1.280 18 residues pruned to eliminate duplicates Z: 16 13.378 2.084 0.566 0.428 0.867 0.533 CB 1.316 16 residues pruned to eliminate duplicates Z: 17 10.978 2.024 0.414 0.438 0.812 0.562 CB 1.258 17 residues pruned to eliminate duplicates Z: 20 9.156 1.923 0.331 0.344 0.789 0.421 CB 1.232 20 residues pruned to eliminate duplicates Z: 15 9.492 1.998 0.634 0.365 0.786 0.500 CB 1.143 15 residues pruned to eliminate duplicates Z: 18 15.345 2.055 0.457 0.505 0.882 0.529 CB 1.402 19 residues pruned to eliminate duplicates Z: 7 2.728 1.249 0.673 0.388 0.833 0.500 CA 0.720 7 residues pruned to eliminate duplicates Z: 18 13.419 2.042 0.518 0.400 0.824 0.412 CB 1.418 18 residues pruned to eliminate duplicates Z: 10 3.145 1.726 0.198 0.392 0.556 0.444 CB 1.024 10 residues pruned to eliminate duplicates Z: 17 8.996 2.004 0.359 0.366 0.812 0.438 CB 1.174 17 residues pruned to eliminate duplicates Z: 18 10.571 1.989 0.233 0.408 0.882 0.588 CB 1.305 18 residues pruned to eliminate duplicates Z: 20 12.785 1.900 0.356 0.355 0.895 0.632 CB 1.487 20 residues pruned to eliminate duplicates Z: 26 9.527 1.852 0.270 0.307 0.920 0.520 CB 1.092 26 residues pruned to eliminate duplicates Z: 38 17.335 2.004 0.216 0.340 0.946 0.432 CB 1.471 38 residues pruned to eliminate duplicates Z: 22 13.171 1.938 0.280 0.356 1.000 0.619 CB 1.354 22 residues pruned to eliminate duplicates Z: 36 15.862 2.029 0.180 0.334 0.886 0.457 CB 1.515 36 residues pruned to eliminate duplicates Z: 21 10.638 1.972 0.256 0.274 0.900 0.450 CB 1.378 21 residues pruned to eliminate duplicates Z: 37 16.034 1.986 0.218 0.343 0.833 0.472 CB 1.571 37 residues pruned to eliminate duplicates Z: 18 12.756 1.912 0.445 0.372 0.941 0.647 CB 1.364 18 residues pruned to eliminate duplicates Z: 33 16.140 2.014 0.297 0.322 0.938 0.469 CB 1.418 33 residues pruned to eliminate duplicates Z: 37 15.399 1.994 0.142 0.342 0.889 0.444 CB 1.506 37 residues pruned to eliminate duplicates Z: 34 16.369 2.045 0.189 0.330 0.909 0.545 CB 1.553 34 residues pruned to eliminate duplicates Z: 33 15.960 2.019 0.201 0.365 0.938 0.438 CB 1.435 33 residues pruned to eliminate duplicates Z: 32 20.346 2.056 0.306 0.370 0.968 0.419 CB 1.616 38 residues pruned to eliminate duplicates 6 1.123 1.280 -0.064 0.212 0.800 0.000 CA 0.736 ? Z: 6 3.137 1.470 0.164 0.425 1.000 0.600 CA 0.886 6 residues pruned to eliminate duplicates Z: 19 12.626 2.036 0.179 0.358 0.889 0.389 CA 1.625 19 residues pruned to eliminate duplicates Z: 6 2.588 1.650 0.084 0.213 0.800 0.600 N 1.134 6 residues pruned to eliminate duplicates Z: 17 11.412 2.026 0.069 0.441 0.875 0.375 CB 1.599 17 residues pruned to eliminate duplicates Z: 41 17.050 1.962 0.286 0.319 0.900 0.400 CB 1.449 41 residues pruned to eliminate duplicates Z: 19 12.228 2.011 0.127 0.379 0.944 0.500 CB 1.532 19 residues pruned to eliminate duplicates Z: 19 10.406 2.017 0.058 0.400 0.833 0.444 CB 1.531 19 residues pruned to eliminate duplicates Z: 6 4.141 1.453 0.939 0.530 0.800 0.400 CA 0.798 6 residues pruned to eliminate duplicates Z: 18 8.904 1.940 0.361 0.370 0.706 0.529 CB 1.332 18 residues pruned to eliminate duplicates Z: 16 10.393 2.006 0.565 0.324 0.733 0.467 CB 1.414 16 residues pruned to eliminate duplicates Z: 16 10.577 2.042 0.289 0.376 0.800 0.467 CB 1.482 16 residues pruned to eliminate duplicates Z: 21 13.229 1.834 0.412 0.424 0.900 0.450 CB 1.373 19 residues pruned to eliminate duplicates Z: 7 9.878 1.662 0.745 0.496 1.000 0.333 CA 1.397 7 residues pruned to eliminate duplicates Z: 10 10.416 1.882 0.817 0.360 0.889 0.333 CB 1.329 10 residues pruned to eliminate duplicates Z: 18 11.192 1.937 0.395 0.405 0.824 0.588 CB 1.348 18 residues pruned to eliminate duplicates Z: 16 12.660 2.012 0.465 0.345 0.867 0.533 CB 1.515 16 residues pruned to eliminate duplicates Z: 7 8.085 1.749 0.908 0.428 0.833 0.500 CB 1.279 7 residues pruned to eliminate duplicates Z: 17 10.954 1.980 0.486 0.415 0.750 0.562 CA 1.357 17 residues pruned to eliminate duplicates Z: 18 7.803 1.754 0.269 0.243 0.824 0.412 CB 1.389 10 residues pruned to eliminate duplicates Z: 8 6.448 1.551 0.614 0.303 1.000 0.286 CA 1.213 9 residues pruned to eliminate duplicates Z: 6 2.586 1.558 0.563 0.322 0.600 0.400 C 0.964 6 residues pruned to eliminate duplicates Z: 10 7.858 1.872 0.157 0.400 1.000 0.333 CB 1.343 10 residues pruned to eliminate duplicates Z: 8 3.990 1.750 0.334 0.328 0.714 0.286 CB 1.092 8 residues pruned to eliminate duplicates Z: 7 3.023 1.778 0.375 0.212 0.667 0.333 CA 1.064 7 residues pruned to eliminate duplicates Z: 11 5.285 1.741 0.369 0.354 0.700 0.300 CB 1.173 10 residues pruned to eliminate duplicates Z: 6 5.324 1.640 0.494 0.346 1.000 0.400 CB 1.149 6 residues pruned to eliminate duplicates Z: 13 11.747 2.038 0.595 0.460 0.917 0.500 CB 1.185 22 residues pruned to eliminate duplicates Z: 7 6.640 1.668 0.319 0.512 1.000 0.500 CB 1.217 6 residues pruned to eliminate duplicates Z: 8 6.645 1.670 0.591 0.442 1.000 0.571 CA 1.003 8 residues pruned to eliminate duplicates Z: 37 24.137 2.066 0.565 0.443 0.861 0.556 CA 1.532 37 residues pruned to eliminate duplicates Z: 20 13.509 1.988 0.562 0.349 0.895 0.579 CA 1.313 20 residues pruned to eliminate duplicates Z: 31 19.114 2.014 0.410 0.397 0.900 0.600 CB 1.522 31 residues pruned to eliminate duplicates Z: 40 25.527 2.000 0.567 0.497 0.897 0.564 CA 1.458 40 residues pruned to eliminate duplicates Z: 39 20.948 2.016 0.546 0.409 0.842 0.579 CA 1.424 39 residues pruned to eliminate duplicates Z: 23 11.196 1.910 0.313 0.323 0.864 0.455 CB 1.340 23 residues pruned to eliminate duplicates Z: 32 16.678 2.011 0.465 0.348 0.806 0.516 CA 1.487 32 residues pruned to eliminate duplicates Z: 27 18.120 2.024 0.462 0.411 0.885 0.692 CA 1.489 27 residues pruned to eliminate duplicates Z: 7 4.859 1.625 0.326 0.444 0.833 0.667 CA 1.171 7 residues pruned to eliminate duplicates Z: 38 25.383 2.077 0.570 0.493 0.865 0.514 CA 1.491 38 residues pruned to eliminate duplicates Z: 38 23.010 2.025 0.454 0.477 0.919 0.514 CA 1.432 38 residues pruned to eliminate duplicates Z: 26 18.567 2.043 0.406 0.411 0.920 0.520 CA 1.541 26 residues pruned to eliminate duplicates Z: 30 22.427 2.082 0.345 0.435 0.966 0.517 CB 1.648 30 residues pruned to eliminate duplicates Z: 39 25.080 2.060 0.480 0.490 0.921 0.526 CA 1.463 39 residues pruned to eliminate duplicates Z: 37 24.231 2.097 0.487 0.465 0.889 0.639 CA 1.509 37 residues pruned to eliminate duplicates Z: 39 25.121 2.073 0.429 0.455 0.947 0.526 CA 1.522 39 residues pruned to eliminate duplicates Z: 40 24.624 2.025 0.481 0.518 0.897 0.641 CA 1.439 40 residues pruned to eliminate duplicates Z: 39 23.176 2.067 0.453 0.483 0.816 0.605 CA 1.561 39 residues pruned to eliminate duplicates Z: 39 23.645 1.997 0.567 0.483 0.895 0.658 CA 1.394 39 residues pruned to eliminate duplicates Z: 39 22.728 2.034 0.503 0.463 0.842 0.553 CA 1.487 39 residues pruned to eliminate duplicates Z: 39 23.686 2.042 0.622 0.489 0.842 0.658 CA 1.394 39 residues pruned to eliminate duplicates Z: 22 22.005 2.034 0.555 0.598 0.905 0.571 CB 1.528 22 residues pruned to eliminate duplicates Z: 36 27.081 2.133 0.521 0.514 0.914 0.629 CA 1.522 36 residues pruned to eliminate duplicates Z: 37 26.778 2.117 0.636 0.500 0.917 0.528 CA 1.405 37 residues pruned to eliminate duplicates Z: 37 16.591 1.953 0.393 0.395 0.861 0.611 CA 1.318 37 residues pruned to eliminate duplicates Z: 37 24.241 2.119 0.478 0.487 0.861 0.667 CA 1.519 37 residues pruned to eliminate duplicates Z: 39 27.263 2.051 0.601 0.489 0.974 0.553 CA 1.399 39 residues pruned to eliminate duplicates Z: 36 19.840 2.016 0.363 0.517 0.829 0.686 CA 1.448 36 residues pruned to eliminate duplicates Z: 19 16.209 2.022 0.399 0.513 0.944 0.500 CB 1.411 19 residues pruned to eliminate duplicates Z: 21 18.232 2.057 0.456 0.565 0.850 0.650 CA 1.504 21 residues pruned to eliminate duplicates Z: 11 20.460 2.210 0.547 0.738 1.000 0.700 CB 1.530 11 residues pruned to eliminate duplicates Z: 11 18.390 2.205 0.589 0.684 0.900 0.600 CA 1.558 11 residues pruned to eliminate duplicates Z: 23 13.429 1.980 0.428 0.419 0.773 0.500 CB 1.426 23 residues pruned to eliminate duplicates Z: 7 10.869 1.978 0.974 0.682 0.667 0.500 CB 1.442 7 residues pruned to eliminate duplicates Z: 7 13.240 1.996 1.073 0.668 0.833 0.667 CB 1.343 7 residues pruned to eliminate duplicates Z: 7 12.808 1.932 0.937 0.755 1.000 0.667 CB 1.113 7 residues pruned to eliminate duplicates Z: 8 13.830 1.960 0.838 0.669 0.857 0.571 CB 1.448 7 residues pruned to eliminate duplicates Z: 18 10.994 1.935 0.526 0.367 0.882 0.471 CB 1.180 26 residues pruned to eliminate duplicates Z: 9 15.392 1.987 0.683 0.632 1.000 0.625 CA 1.438 10 residues pruned to eliminate duplicates Z: 6 11.812 1.981 0.415 0.746 1.000 0.400 CA 1.512 6 residues pruned to eliminate duplicates Z: 8 11.022 1.927 0.824 0.487 0.857 0.571 CB 1.401 8 residues pruned to eliminate duplicates Z: 7 5.070 1.548 0.565 0.640 0.667 0.167 CB 1.124 7 residues pruned to eliminate duplicates Z: 9 8.853 1.840 0.766 0.381 0.875 0.625 CB 1.249 9 residues pruned to eliminate duplicates Z: 9 8.570 1.845 1.021 0.383 0.750 0.625 CA 1.228 9 residues pruned to eliminate duplicates Z: 8 10.420 1.968 0.969 0.458 0.857 0.429 CB 1.237 7 residues pruned to eliminate duplicates Z: 6 6.344 1.925 0.749 0.463 1.000 0.600 CB 0.876 6 residues pruned to eliminate duplicates Z: 20 11.103 2.034 0.703 0.314 0.789 0.526 CB 1.144 20 residues pruned to eliminate duplicates Z: 10 6.172 1.932 0.568 0.306 0.667 0.333 CA 1.264 10 residues pruned to eliminate duplicates Z: 18 7.347 1.662 0.545 0.239 0.882 0.294 CB 1.064 19 residues pruned to eliminate duplicates Z: 9 4.051 1.623 0.776 0.378 0.750 0.375 CB 0.754 9 residues pruned to eliminate duplicates Z: 20 16.501 2.056 0.867 0.350 0.842 0.368 CB 1.377 20 residues pruned to eliminate duplicates Z: 27 16.340 2.073 0.649 0.408 0.731 0.385 CB 1.413 27 residues pruned to eliminate duplicates Z: 27 14.806 2.131 0.508 0.415 0.769 0.500 CB 1.284 27 residues pruned to eliminate duplicates Z: 18 13.102 2.128 0.732 0.343 0.765 0.529 CB 1.337 18 residues pruned to eliminate duplicates Z: 43 17.613 2.019 0.467 0.340 0.810 0.381 CB 1.350 43 residues pruned to eliminate duplicates Z: 22 13.834 2.013 0.657 0.295 0.905 0.429 CB 1.258 22 residues pruned to eliminate duplicates Z: 13 8.703 1.856 0.761 0.397 0.750 0.417 CA 1.143 13 residues pruned to eliminate duplicates Z: 21 12.967 2.066 0.643 0.356 0.750 0.450 CB 1.331 21 residues pruned to eliminate duplicates Z: 22 14.737 2.112 0.707 0.363 0.762 0.429 CB 1.357 22 residues pruned to eliminate duplicates Z: 25 13.777 1.982 0.777 0.327 0.750 0.333 CB 1.288 25 residues pruned to eliminate duplicates Z: 14 15.255 2.078 0.799 0.512 0.769 0.462 CB 1.454 14 residues pruned to eliminate duplicates Z: 22 16.971 2.072 0.754 0.393 0.810 0.381 CB 1.409 28 residues pruned to eliminate duplicates Z: 6 3.835 1.596 0.032 0.305 1.000 0.400 CA 1.295 6 residues pruned to eliminate duplicates Z: 14 11.497 2.048 0.464 0.282 0.846 0.308 CB 1.607 15 residues pruned to eliminate duplicates Z: 9 2.770 1.442 0.433 0.223 0.750 0.250 CA 0.875 9 residues pruned to eliminate duplicates Z: 11 2.692 1.511 0.119 0.150 0.800 0.300 CA 0.967 8 residues pruned to eliminate duplicates Z: 8 4.810 1.820 0.366 0.301 0.857 0.286 CA 1.066 8 residues pruned to eliminate duplicates Z: 34 13.056 2.006 0.401 0.284 0.758 0.364 CB 1.363 34 residues pruned to eliminate duplicates Z: 18 8.098 1.732 0.220 0.475 0.824 0.588 CB 1.157 17 residues pruned to eliminate duplicates Z: 11 7.792 1.769 0.420 0.631 0.900 0.600 CB 0.964 12 residues pruned to eliminate duplicates Z: 11 7.239 1.799 0.478 0.544 0.800 0.700 CB 1.031 11 residues pruned to eliminate duplicates Z: 14 6.404 1.735 0.325 0.414 0.769 0.385 CA 1.099 14 residues pruned to eliminate duplicates Z: 6 6.933 1.958 0.294 0.766 1.000 0.800 CB 0.966 6 residues pruned to eliminate duplicates Z: 15 9.119 1.823 0.360 0.526 1.000 0.643 CB 0.958 18 residues pruned to eliminate duplicates Z: 6 4.431 1.906 0.420 0.605 0.800 0.600 CB 0.829 6 residues pruned to eliminate duplicates Z: 10 9.970 1.909 0.321 0.436 1.000 0.667 CB 1.407 10 residues pruned to eliminate duplicates Z: 17 13.434 1.852 0.377 0.515 1.000 0.625 CB 1.298 16 residues pruned to eliminate duplicates Z: 6 2.550 1.739 -0.166 0.274 0.800 0.200 CB 1.269 6 residues pruned to eliminate duplicates Z: 12 8.555 1.846 0.420 0.530 0.909 0.364 CB 1.051 11 residues pruned to eliminate duplicates 6 1.670 1.100 0.647 0.614 0.600 0.200 C 0.617 ? Z: 6 4.362 1.742 0.266 0.346 0.800 0.800 CB 1.306 6 residues pruned to eliminate duplicates Z: 8 5.287 1.640 0.468 0.364 0.857 0.714 CB 1.120 8 residues pruned to eliminate duplicates Z: 9 6.242 1.702 0.385 0.390 0.750 0.500 CB 1.402 9 residues pruned to eliminate duplicates Z: 15 6.607 1.787 0.146 0.399 0.929 0.643 CA 1.034 10 residues pruned to eliminate duplicates Z: 6 6.105 1.864 0.686 0.327 0.800 0.400 CA 1.313 10 residues pruned to eliminate duplicates Z: 8 5.599 2.097 0.301 0.354 0.857 0.429 CA 1.060 8 residues pruned to eliminate duplicates Z: 8 6.760 2.164 0.401 0.209 0.857 0.571 CA 1.387 8 residues pruned to eliminate duplicates Z: 10 4.099 1.918 0.271 0.183 0.667 0.333 CA 1.232 10 residues pruned to eliminate duplicates Z: 10 5.562 2.045 0.388 0.176 0.889 0.333 CA 1.087 10 residues pruned to eliminate duplicates Z: 12 7.109 1.942 0.419 0.203 0.909 0.636 CA 1.216 12 residues pruned to eliminate duplicates Z: 23 19.215 2.102 0.506 0.432 0.909 0.500 CA 1.527 23 residues pruned to eliminate duplicates Z: 6 3.084 1.704 0.213 0.134 0.800 0.200 CA 1.315 6 residues pruned to eliminate duplicates Z: 24 16.370 2.029 0.376 0.419 0.913 0.478 CA 1.457 24 residues pruned to eliminate duplicates Z: 14 10.126 1.924 0.614 0.317 0.769 0.385 CA 1.438 14 residues pruned to eliminate duplicates Z: 15 10.901 1.982 0.835 0.267 0.714 0.286 N 1.463 15 residues pruned to eliminate duplicates Z: 21 17.557 1.968 0.613 0.397 0.900 0.500 CB 1.532 21 residues pruned to eliminate duplicates Z: 26 16.690 1.985 0.522 0.378 0.880 0.600 CA 1.431 25 residues pruned to eliminate duplicates Z: 7 4.597 1.667 0.448 0.421 0.833 0.667 N 1.013 7 residues pruned to eliminate duplicates Z: 24 18.806 2.071 0.598 0.358 0.913 0.478 CA 1.512 24 residues pruned to eliminate duplicates Z: 25 17.224 2.044 0.513 0.329 0.917 0.500 CA 1.495 24 residues pruned to eliminate duplicates Z: 6 4.214 1.905 0.703 0.320 0.600 0.400 N 1.180 6 residues pruned to eliminate duplicates Z: 24 19.454 2.092 0.506 0.413 0.913 0.565 CA 1.545 24 residues pruned to eliminate duplicates Z: 6 5.393 1.576 0.698 0.387 1.000 0.600 N 1.016 6 residues pruned to eliminate duplicates Z: 13 14.353 2.022 0.479 0.510 1.000 0.583 CB 1.371 14 residues pruned to eliminate duplicates Z: 6 5.689 1.851 -0.009 0.461 1.000 0.800 CA 1.443 6 residues pruned to eliminate duplicates Z: 21 18.421 2.006 0.447 0.408 0.950 0.450 CA 1.645 21 residues pruned to eliminate duplicates Z: 20 17.958 1.983 0.551 0.419 0.947 0.579 CA 1.540 20 residues pruned to eliminate duplicates Z: 8 9.631 2.005 0.358 0.454 0.857 0.571 CA 1.634 8 residues pruned to eliminate duplicates Z: 7 7.004 1.993 0.293 0.391 0.833 0.833 CA 1.494 7 residues pruned to eliminate duplicates Z: 7 9.516 2.045 0.248 0.508 1.000 0.500 CB 1.510 7 residues pruned to eliminate duplicates Z: 10 9.020 1.883 0.493 0.354 0.889 0.667 CB 1.409 10 residues pruned to eliminate duplicates Z: 6 2.145 1.514 0.150 0.298 0.800 0.400 CB 0.864 Z: 10 8.409 1.809 0.304 0.792 0.778 0.556 CB 1.182 10 residues pruned to eliminate duplicates Z: 10 7.999 1.797 0.409 0.591 1.000 0.444 CA 0.966 10 residues pruned to eliminate duplicates Z: 16 14.528 1.931 0.700 0.527 1.000 0.533 CA 1.113 16 residues pruned to eliminate duplicates Z: 64 36.209 2.077 0.586 0.571 0.905 0.698 CA 1.429 60 residues pruned to eliminate duplicates Z: 11 13.623 1.876 0.417 0.809 0.900 0.500 CB 1.375 15 residues pruned to eliminate duplicates Z: 13 13.494 1.708 0.646 0.813 0.833 0.583 CB 1.267 13 residues pruned to eliminate duplicates Z: 65 37.314 2.076 0.605 0.553 0.891 0.609 CA 1.493 65 residues pruned to eliminate duplicates Z: 29 19.292 2.104 0.452 0.407 0.893 0.464 CA 1.474 29 residues pruned to eliminate duplicates Z: 29 19.324 2.113 0.552 0.413 0.821 0.429 CA 1.485 29 residues pruned to eliminate duplicates Z: 29 19.493 2.059 0.566 0.456 0.857 0.536 CA 1.394 29 residues pruned to eliminate duplicates Z: 6 4.593 1.593 0.218 0.434 1.000 0.800 C 1.133 6 residues pruned to eliminate duplicates Z: 52 38.797 2.088 0.624 0.548 0.980 0.686 CA 1.560 52 residues pruned to eliminate duplicates Z: 28 18.329 2.094 0.403 0.407 0.926 0.667 CA 1.430 28 residues pruned to eliminate duplicates Z: 25 12.843 2.002 0.616 0.326 0.792 0.458 CA 1.239 25 residues pruned to eliminate duplicates Z: 17 15.982 2.170 0.743 0.439 0.875 0.625 CA 1.286 17 residues pruned to eliminate duplicates Z: 61 41.341 2.095 0.663 0.586 0.917 0.683 CA 1.538 60 residues pruned to eliminate duplicates Z: 6 5.246 1.624 1.178 0.449 0.800 0.600 C 0.873 6 residues pruned to eliminate duplicates Z: 36 21.198 2.036 0.629 0.425 0.800 0.543 CA 1.461 36 residues pruned to eliminate duplicates Z: 14 13.187 1.928 0.780 0.421 0.846 0.538 CA 1.367 14 residues pruned to eliminate duplicates Z: 43 22.544 1.997 0.596 0.394 0.857 0.476 CA 1.424 43 residues pruned to eliminate duplicates Z: 62 37.375 2.088 0.683 0.560 0.869 0.607 CA 1.479 62 residues pruned to eliminate duplicates Z: 53 36.251 2.106 0.625 0.536 0.923 0.673 CA 1.537 53 residues pruned to eliminate duplicates Z: 61 36.356 2.103 0.580 0.564 0.900 0.617 CA 1.475 61 residues pruned to eliminate duplicates Z: 15 15.343 2.020 0.751 0.397 0.857 0.571 N 1.509 15 residues pruned to eliminate duplicates Z: 30 40.504 2.137 0.585 0.782 1.000 0.897 CA 1.732 30 residues pruned to eliminate duplicates Z: 28 30.755 2.103 0.581 0.697 0.963 0.926 CA 1.544 28 residues pruned to eliminate duplicates Z: 33 30.222 2.042 0.460 0.713 0.969 0.750 CA 1.525 33 residues pruned to eliminate duplicates Z: 14 16.666 2.088 0.762 0.487 0.923 0.692 CA 1.379 14 residues pruned to eliminate duplicates Z: 35 25.395 1.996 0.574 0.561 0.882 0.676 CA 1.481 35 residues pruned to eliminate duplicates Z: 15 19.134 2.052 1.033 0.459 0.857 0.643 CA 1.492 15 residues pruned to eliminate duplicates Z: 30 23.445 2.102 0.506 0.546 0.897 0.759 CA 1.466 30 residues pruned to eliminate duplicates Z: 19 24.468 2.159 0.690 0.566 0.889 0.667 CA 1.668 19 residues pruned to eliminate duplicates Z: 33 35.075 2.028 0.650 0.703 0.938 0.688 CA 1.642 33 residues pruned to eliminate duplicates Z: 41 34.874 2.036 0.719 0.604 0.900 0.600 CA 1.586 41 residues pruned to eliminate duplicates Z: 39 41.527 2.082 0.795 0.689 0.947 0.737 CB 1.600 39 residues pruned to eliminate duplicates Z: 22 30.225 2.124 0.793 0.716 0.952 0.619 CB 1.496 22 residues pruned to eliminate duplicates Z: 61 38.221 2.108 0.660 0.536 0.900 0.500 CA 1.512 61 residues pruned to eliminate duplicates Z: 29 34.604 2.144 0.753 0.682 0.893 0.607 CA 1.649 29 residues pruned to eliminate duplicates Z: 58 34.880 2.076 0.702 0.522 0.895 0.526 CA 1.430 58 residues pruned to eliminate duplicates Z: 48 38.561 2.076 0.799 0.573 0.936 0.553 CA 1.499 48 residues pruned to eliminate duplicates Z: 53 42.213 2.107 0.796 0.546 0.923 0.596 CA 1.602 52 residues pruned to eliminate duplicates Z: 22 46.990 2.133 1.010 0.925 1.000 0.571 CB 1.679 24 residues pruned to eliminate duplicates Z: 22 39.506 2.140 0.900 0.929 0.905 0.571 CB 1.640 22 residues pruned to eliminate duplicates Z: 32 40.000 2.058 0.913 0.741 0.935 0.548 CB 1.572 32 residues pruned to eliminate duplicates Z: 33 44.871 2.140 0.839 0.743 0.969 0.625 CA 1.674 32 residues pruned to eliminate duplicates Z: 24 44.868 2.062 0.968 0.918 1.000 0.609 CB 1.626 24 residues pruned to eliminate duplicates Z: 14 21.492 2.053 0.875 0.824 0.769 0.538 CA 1.520 14 residues pruned to eliminate duplicates Z: 35 41.547 2.138 0.870 0.702 0.912 0.500 CB 1.627 35 residues pruned to eliminate duplicates Z: 46 30.225 1.913 0.636 0.569 0.844 0.422 CB 1.595 46 residues pruned to eliminate duplicates Z: 26 30.868 2.083 0.862 0.765 0.840 0.240 CB 1.499 26 residues pruned to eliminate duplicates Z: 16 18.308 1.926 0.635 0.729 0.867 0.267 CB 1.409 15 residues pruned to eliminate duplicates Z: 14 28.256 1.952 1.027 0.867 0.923 0.692 CB 1.569 14 residues pruned to eliminate duplicates Z: 64 46.206 2.181 0.751 0.557 0.905 0.508 CB 1.594 64 residues pruned to eliminate duplicates Z: 31 22.164 2.145 0.698 0.466 0.833 0.500 CB 1.379 45 residues pruned to eliminate duplicates Z: 67 43.272 2.141 0.632 0.557 0.924 0.485 CB 1.561 67 residues pruned to eliminate duplicates Z: 64 44.197 2.169 0.589 0.581 0.952 0.540 CB 1.569 64 residues pruned to eliminate duplicates Z: 59 42.320 2.175 0.627 0.555 0.948 0.483 CB 1.569 59 residues pruned to eliminate duplicates Z: 30 19.932 2.134 0.515 0.451 0.897 0.414 CB 1.343 30 residues pruned to eliminate duplicates Z: 65 45.296 2.185 0.678 0.554 0.922 0.547 CB 1.590 65 residues pruned to eliminate duplicates Z: 26 13.614 2.056 0.443 0.319 0.840 0.360 CB 1.334 26 residues pruned to eliminate duplicates Z: 16 10.522 2.038 0.398 0.368 0.800 0.467 CB 1.372 Z: 6 4.345 1.563 0.671 0.243 1.000 0.600 N 1.001 6 residues pruned to eliminate duplicates Z: 44 41.296 2.212 0.588 0.671 1.000 0.791 CA 1.531 44 residues pruned to eliminate duplicates Z: 13 7.555 1.933 0.354 0.343 0.833 0.667 CA 1.185 13 residues pruned to eliminate duplicates Z: 50 38.811 2.206 0.463 0.651 0.939 0.653 CB 1.589 50 residues pruned to eliminate duplicates Z: 45 36.974 2.143 0.461 0.637 0.977 0.705 CA 1.602 45 residues pruned to eliminate duplicates Z: 67 37.764 2.149 0.468 0.550 0.909 0.606 CB 1.545 67 residues pruned to eliminate duplicates Z: 65 39.967 2.178 0.473 0.555 0.938 0.594 CB 1.574 65 residues pruned to eliminate duplicates Z: 34 29.601 2.185 0.464 0.604 0.909 0.636 CA 1.605 34 residues pruned to eliminate duplicates Z: 21 12.641 2.038 0.100 0.457 0.950 0.650 CB 1.387 21 residues pruned to eliminate duplicates Z: 51 32.284 2.066 0.492 0.551 0.940 0.580 CB 1.499 51 residues pruned to eliminate duplicates Z: 30 35.948 2.244 0.614 0.697 1.000 0.828 CA 1.540 30 residues pruned to eliminate duplicates Z: 46 36.146 2.190 0.491 0.651 0.933 0.644 CB 1.536 46 residues pruned to eliminate duplicates Z: 66 42.421 2.173 0.518 0.572 0.938 0.646 CB 1.586 82 residues pruned to eliminate duplicates Z: 45 41.305 2.166 0.553 0.673 1.000 0.705 CA 1.579 45 residues pruned to eliminate duplicates Z: 62 34.003 2.116 0.555 0.497 0.869 0.656 CA 1.528 39 residues pruned to eliminate duplicates Z: 18 26.904 2.278 0.566 0.846 0.824 0.588 CA 1.650 18 residues pruned to eliminate duplicates Z: 35 31.136 2.171 0.480 0.712 0.882 0.559 CB 1.554 35 residues pruned to eliminate duplicates Z: 67 40.764 2.154 0.508 0.564 0.939 0.545 CB 1.546 67 residues pruned to eliminate duplicates Z: 46 39.487 2.159 0.534 0.671 0.978 0.689 CB 1.553 46 residues pruned to eliminate duplicates Z: 25 36.142 2.194 0.798 0.715 0.958 0.708 CA 1.607 25 residues pruned to eliminate duplicates Z: 34 37.149 2.179 0.776 0.647 0.970 0.606 CA 1.502 34 residues pruned to eliminate duplicates Z: 42 44.379 2.215 0.601 0.696 1.000 0.683 CA 1.634 42 residues pruned to eliminate duplicates Z: 63 45.522 2.188 0.699 0.589 0.952 0.532 CB 1.501 63 residues pruned to eliminate duplicates Z: 46 39.161 2.179 0.634 0.653 0.911 0.711 CB 1.561 46 residues pruned to eliminate duplicates Z: 64 45.354 2.202 0.699 0.596 0.921 0.556 CB 1.513 64 residues pruned to eliminate duplicates Z: 39 34.629 2.133 0.763 0.657 0.921 0.579 CB 1.402 39 residues pruned to eliminate duplicates Z: 63 40.461 2.204 0.657 0.556 0.903 0.484 CB 1.475 63 residues pruned to eliminate duplicates Z: 65 44.687 2.165 0.668 0.581 0.906 0.625 CB 1.579 65 residues pruned to eliminate duplicates Z: 44 42.128 2.194 0.702 0.667 0.953 0.535 CA 1.546 44 residues pruned to eliminate duplicates Z: 56 41.901 2.188 0.642 0.578 0.927 0.545 CB 1.574 56 residues pruned to eliminate duplicates Z: 45 49.982 2.195 0.809 0.674 1.000 0.636 CA 1.616 45 residues pruned to eliminate duplicates Z: 47 40.082 2.156 0.679 0.631 0.913 0.630 CA 1.581 47 residues pruned to eliminate duplicates Z: 49 40.379 2.206 0.612 0.612 0.917 0.500 CB 1.609 49 residues pruned to eliminate duplicates Z: 46 39.895 2.171 0.568 0.645 0.978 0.533 CA 1.561 46 residues pruned to eliminate duplicates Z: 11 10.317 1.922 0.145 0.717 1.000 0.700 CB 1.218 11 residues pruned to eliminate duplicates Z: 36 38.539 2.193 0.615 0.698 0.971 0.571 CA 1.581 36 residues pruned to eliminate duplicates Z: 56 34.848 2.174 0.633 0.547 0.818 0.418 CB 1.545 56 residues pruned to eliminate duplicates Z: 18 15.548 2.000 0.485 0.529 0.882 0.529 CB 1.398 18 residues pruned to eliminate duplicates Z: 62 48.421 2.204 0.657 0.581 0.967 0.525 CB 1.625 62 residues pruned to eliminate duplicates Z: 86 44.945 2.175 0.608 0.491 0.918 0.553 CB 1.533 86 residues pruned to eliminate duplicates Z: 62 44.505 2.215 0.644 0.585 0.951 0.541 CB 1.518 62 residues pruned to eliminate duplicates Z: 40 42.280 2.214 0.740 0.723 0.923 0.667 CB 1.556 40 residues pruned to eliminate duplicates Z: 27 12.266 2.054 0.509 0.298 0.769 0.462 CB 1.264 27 residues pruned to eliminate duplicates Z: 21 24.399 2.114 0.784 0.539 0.950 0.450 CB 1.465 21 residues pruned to eliminate duplicates Z: 73 50.472 2.206 0.624 0.578 0.958 0.514 CB 1.606 73 residues pruned to eliminate duplicates Z: 73 49.114 2.200 0.703 0.556 0.931 0.583 CA 1.573 73 residues pruned to eliminate duplicates Z: 24 25.070 2.209 0.740 0.434 0.957 0.609 CB 1.523 24 residues pruned to eliminate duplicates Z: 74 49.318 2.161 0.692 0.564 0.959 0.630 CA 1.547 74 residues pruned to eliminate duplicates Z: 75 50.768 2.181 0.706 0.584 0.946 0.608 CB 1.546 75 residues pruned to eliminate duplicates Z: 73 50.732 2.203 0.670 0.566 0.944 0.611 CB 1.614 73 residues pruned to eliminate duplicates Z: 74 45.497 2.186 0.680 0.529 0.918 0.521 CB 1.536 74 residues pruned to eliminate duplicates Z: 64 43.173 2.173 0.677 0.564 0.937 0.524 CB 1.498 64 residues pruned to eliminate duplicates Z: 63 47.485 2.228 0.682 0.591 0.952 0.484 CB 1.550 63 residues pruned to eliminate duplicates Z: 23 20.534 2.167 0.702 0.358 0.909 0.591 CB 1.522 23 residues pruned to eliminate duplicates Z: 13 10.360 2.119 0.634 0.235 0.917 0.500 CA 1.283 13 residues pruned to eliminate duplicates Z: 23 21.609 2.191 0.740 0.423 0.955 0.500 CA 1.371 23 residues pruned to eliminate duplicates Z: 74 48.459 2.175 0.751 0.543 0.918 0.575 CB 1.556 74 residues pruned to eliminate duplicates Z: 15 15.064 2.164 0.615 0.458 0.857 0.500 CB 1.403 15 residues pruned to eliminate duplicates Z: 24 21.000 2.141 0.720 0.402 0.913 0.435 CB 1.443 24 residues pruned to eliminate duplicates Z: 25 19.443 2.184 0.594 0.369 0.875 0.542 CB 1.500 25 residues pruned to eliminate duplicates Z: 24 19.998 2.186 0.690 0.337 0.870 0.522 CB 1.551 24 residues pruned to eliminate duplicates Z: 25 20.083 2.202 0.682 0.330 0.875 0.542 CB 1.525 25 residues pruned to eliminate duplicates Z: 22 19.832 2.199 0.711 0.359 0.905 0.667 CB 1.481 22 residues pruned to eliminate duplicates Z: 74 55.158 2.206 0.799 0.552 0.959 0.562 CB 1.613 74 residues pruned to eliminate duplicates Z: 26 20.206 2.114 0.699 0.328 0.920 0.520 CB 1.477 26 residues pruned to eliminate duplicates Z: 31 18.118 2.095 0.611 0.279 0.867 0.467 CB 1.452 31 residues pruned to eliminate duplicates Z: 72 46.357 2.208 0.667 0.521 0.930 0.437 CB 1.574 72 residues pruned to eliminate duplicates Z: 43 30.241 2.172 0.465 0.460 0.952 0.571 CB 1.604 43 residues pruned to eliminate duplicates Z: 82 35.538 2.037 0.347 0.574 0.877 0.630 CA 1.528 92 residues pruned to eliminate duplicates Z: 6 6.901 1.717 0.373 0.463 1.000 0.200 CA 1.360 6 residues pruned to eliminate duplicates Z: 18 27.556 2.219 0.314 0.705 1.000 0.824 CA 1.903 18 residues pruned to eliminate duplicates Z: 24 20.784 2.125 0.252 0.715 0.870 0.565 CB 1.542 24 residues pruned to eliminate duplicates Z: 43 27.830 2.005 0.465 0.564 0.881 0.524 CB 1.559 43 residues pruned to eliminate duplicates Z: 41 26.109 2.077 0.507 0.564 0.800 0.525 CB 1.550 41 residues pruned to eliminate duplicates Z: 43 24.685 2.006 0.365 0.586 0.905 0.643 CB 1.415 43 residues pruned to eliminate duplicates Z: 23 23.324 2.169 0.467 0.650 0.864 0.682 CB 1.573 23 residues pruned to eliminate duplicates Z: 38 20.273 2.055 0.359 0.549 0.784 0.568 CB 1.451 38 residues pruned to eliminate duplicates Z: 30 25.193 2.088 0.386 0.661 0.862 0.724 CB 1.616 30 residues pruned to eliminate duplicates Z: 27 31.679 2.168 0.598 0.697 0.923 0.769 CB 1.623 27 residues pruned to eliminate duplicates Z: 32 26.158 2.055 0.485 0.615 0.871 0.710 CB 1.585 32 residues pruned to eliminate duplicates Z: 36 22.106 1.992 0.567 0.563 0.829 0.571 CB 1.359 36 residues pruned to eliminate duplicates Z: 57 35.037 2.171 0.509 0.488 0.893 0.536 CB 1.620 57 residues pruned to eliminate duplicates Z: 29 32.012 2.102 0.562 0.691 0.929 0.643 CB 1.666 29 residues pruned to eliminate duplicates Z: 102 53.628 2.135 0.678 0.579 0.901 0.564 CB 1.532 102 residues pruned to eliminate duplicates Z: 28 31.104 2.120 0.499 0.738 0.926 0.667 CB 1.644 28 residues pruned to eliminate duplicates Z: 41 27.795 2.061 0.559 0.608 0.875 0.550 CB 1.411 41 residues pruned to eliminate duplicates Z: 35 28.148 2.080 0.664 0.610 0.882 0.647 CB 1.425 35 residues pruned to eliminate duplicates Z: 27 33.879 2.159 0.642 0.733 0.885 0.654 CB 1.717 27 residues pruned to eliminate duplicates Z: 108 55.366 2.147 0.664 0.564 0.907 0.561 CB 1.553 108 residues pruned to eliminate duplicates Z: 44 29.175 1.997 0.583 0.607 0.907 0.535 CB 1.401 44 residues pruned to eliminate duplicates Z: 38 27.732 2.065 0.595 0.566 0.892 0.432 CB 1.456 38 residues pruned to eliminate duplicates Z: 14 8.851 1.923 0.389 0.405 0.846 0.538 CB 1.200 14 residues pruned to eliminate duplicates Z: 38 22.690 2.023 0.597 0.552 0.811 0.514 CB 1.354 38 residues pruned to eliminate duplicates Z: 15 7.503 1.903 0.396 0.393 0.643 0.429 CB 1.315 15 residues pruned to eliminate duplicates Z: 13 8.739 1.856 0.457 0.342 0.833 0.250 CA 1.329 13 residues pruned to eliminate duplicates Z: 13 6.777 1.881 0.297 0.383 0.667 0.417 N 1.363 13 residues pruned to eliminate duplicates Z: 24 7.258 1.779 0.202 0.328 0.696 0.522 N 1.229 24 residues pruned to eliminate duplicates Z: 16 6.294 1.749 0.381 0.239 0.800 0.267 CB 1.138 16 residues pruned to eliminate duplicates Z: 7 9.465 2.005 0.117 0.721 1.000 0.833 CA 1.413 7 residues pruned to eliminate duplicates Z: 11 8.330 1.855 0.347 0.431 0.900 0.500 CA 1.258 11 residues pruned to eliminate duplicates Z: 11 7.404 1.946 0.260 0.428 0.800 0.500 CA 1.287 11 residues pruned to eliminate duplicates Z: 14 10.033 1.824 0.319 0.548 0.923 0.615 CA 1.196 23 residues pruned to eliminate duplicates Z: 32 18.431 2.024 0.373 0.418 0.903 0.452 CA 1.436 32 residues pruned to eliminate duplicates Z: 62 32.435 2.021 0.590 0.522 0.852 0.492 CB 1.484 62 residues pruned to eliminate duplicates Z: 83 39.850 2.094 0.643 0.471 0.902 0.500 CB 1.461 83 residues pruned to eliminate duplicates Z: 31 17.478 2.037 0.378 0.407 0.900 0.500 CA 1.393 31 residues pruned to eliminate duplicates Z: 28 21.867 2.072 0.454 0.596 0.963 0.704 CA 1.324 28 residues pruned to eliminate duplicates Z: 22 17.625 2.099 0.517 0.450 0.905 0.476 CB 1.405 22 residues pruned to eliminate duplicates Z: 18 11.140 1.974 0.343 0.379 0.941 0.235 CB 1.232 18 residues pruned to eliminate duplicates Z: 18 10.150 1.913 0.422 0.374 0.824 0.529 CB 1.257 18 residues pruned to eliminate duplicates Z: 22 16.829 2.119 0.575 0.449 0.857 0.476 CB 1.352 22 residues pruned to eliminate duplicates Z: 30 21.800 2.085 0.514 0.456 0.897 0.517 CB 1.496 30 residues pruned to eliminate duplicates Z: 23 15.255 2.017 0.538 0.420 0.864 0.636 CB 1.319 23 residues pruned to eliminate duplicates Z: 24 17.074 2.056 0.559 0.448 0.957 0.609 CB 1.225 24 residues pruned to eliminate duplicates Z: 40 20.307 1.983 0.403 0.597 0.846 0.641 CA 1.259 40 residues pruned to eliminate duplicates Z: 26 14.957 1.986 0.478 0.387 0.920 0.480 CB 1.249 26 residues pruned to eliminate duplicates Z: 41 21.327 2.001 0.404 0.487 0.925 0.475 CA 1.315 41 residues pruned to eliminate duplicates Z: 75 39.397 2.062 0.434 0.588 0.959 0.595 CA 1.483 73 residues pruned to eliminate duplicates Z: 20 15.504 2.001 0.172 0.831 1.000 0.789 CA 1.139 20 residues pruned to eliminate duplicates Z: 30 26.779 1.981 0.665 0.698 1.000 0.897 CA 1.259 30 residues pruned to eliminate duplicates Z: 20 17.608 1.953 0.482 0.773 1.000 0.737 CA 1.096 20 residues pruned to eliminate duplicates Z: 76 40.380 2.057 0.508 0.588 0.947 0.587 CA 1.459 76 residues pruned to eliminate duplicates Z: 18 22.297 2.079 0.586 0.861 0.941 0.529 CA 1.281 18 residues pruned to eliminate duplicates Z: 19 19.874 2.055 0.439 0.761 1.000 0.556 CA 1.256 19 residues pruned to eliminate duplicates Z: 19 22.453 2.045 0.558 0.807 1.000 0.556 CA 1.271 19 residues pruned to eliminate duplicates Z: 24 21.367 1.982 0.499 0.758 0.957 0.565 CA 1.247 24 residues pruned to eliminate duplicates Z: 63 37.657 2.048 0.486 0.609 0.935 0.629 CB 1.514 63 residues pruned to eliminate duplicates Z: 18 19.937 2.033 0.452 0.875 0.941 0.706 CA 1.266 18 residues pruned to eliminate duplicates Z: 32 28.855 2.101 0.543 0.646 1.000 0.484 CA 1.394 32 residues pruned to eliminate duplicates Z: 29 24.432 1.959 0.673 0.680 0.964 0.536 CA 1.238 29 residues pruned to eliminate duplicates Z: 51 35.618 2.024 0.627 0.679 0.940 0.660 CA 1.380 51 residues pruned to eliminate duplicates Z: 13 17.651 2.003 0.639 0.879 1.000 0.583 CA 1.125 13 residues pruned to eliminate duplicates Z: 17 17.603 2.021 0.509 0.879 0.875 0.625 CA 1.195 17 residues pruned to eliminate duplicates Z: 42 32.400 2.003 0.599 0.689 0.927 0.512 CA 1.433 42 residues pruned to eliminate duplicates Z: 31 31.236 1.996 0.632 0.783 1.000 0.700 CA 1.366 31 residues pruned to eliminate duplicates Z: 23 19.770 2.051 0.530 0.678 0.909 0.727 CB 1.254 23 residues pruned to eliminate duplicates Z: 23 24.689 1.978 0.636 0.765 1.000 0.682 CA 1.286 23 residues pruned to eliminate duplicates Z: 37 33.412 1.992 0.717 0.732 0.944 0.556 CA 1.399 37 residues pruned to eliminate duplicates Z: 48 27.377 2.077 0.435 0.499 0.936 0.574 CB 1.432 49 residues pruned to eliminate duplicates Z: 14 19.865 2.021 0.674 0.742 1.000 0.615 CB 1.311 14 residues pruned to eliminate duplicates Z: 46 25.543 2.034 0.363 0.513 0.933 0.600 CB 1.452 46 residues pruned to eliminate duplicates Z: 41 26.716 1.979 0.529 0.601 0.950 0.450 CB 1.334 41 residues pruned to eliminate duplicates Z: 25 21.157 1.995 0.580 0.613 0.958 0.542 CB 1.285 25 residues pruned to eliminate duplicates Z: 47 30.747 2.075 0.469 0.515 0.957 0.609 CA 1.532 46 residues pruned to eliminate duplicates Z: 11 16.704 2.007 0.508 0.901 1.000 0.700 CB 1.246 11 residues pruned to eliminate duplicates Z: 42 29.271 2.098 0.465 0.534 0.976 0.610 CB 1.475 42 residues pruned to eliminate duplicates Z: 60 34.805 2.033 0.608 0.544 0.915 0.559 CB 1.451 61 residues pruned to eliminate duplicates Z: 11 13.959 2.165 0.224 0.863 0.900 0.800 CB 1.358 11 residues pruned to eliminate duplicates Z: 47 28.597 2.071 0.449 0.478 0.957 0.500 CB 1.502 47 residues pruned to eliminate duplicates Z: 50 26.999 2.024 0.552 0.468 0.857 0.510 CB 1.479 50 residues pruned to eliminate duplicates Z: 19 27.270 2.089 0.960 0.680 1.000 0.389 CB 1.330 19 residues pruned to eliminate duplicates Z: 17 21.918 2.057 0.868 0.648 1.000 0.562 CB 1.243 17 residues pruned to eliminate duplicates Z: 16 8.605 1.800 0.456 0.345 0.867 0.467 CB 1.157 16 residues pruned to eliminate duplicates Z: 31 20.503 2.089 0.342 0.458 0.900 0.567 CA 1.548 30 residues pruned to eliminate duplicates Z: 6 4.269 1.992 0.423 0.301 1.000 0.200 CA 0.841 6 residues pruned to eliminate duplicates Z: 48 29.232 2.074 0.528 0.527 0.872 0.596 CB 1.501 48 residues pruned to eliminate duplicates Z: 7 2.757 1.660 0.049 0.322 1.000 0.000 CB 0.787 7 residues pruned to eliminate duplicates Z: 32 20.128 2.055 0.505 0.461 0.903 0.452 CB 1.346 32 residues pruned to eliminate duplicates Z: 31 21.753 2.115 0.404 0.457 0.900 0.600 CA 1.553 31 residues pruned to eliminate duplicates Z: 33 21.518 2.100 0.460 0.449 0.875 0.531 CA 1.494 33 residues pruned to eliminate duplicates Z: 23 15.968 2.071 0.536 0.459 0.773 0.591 CA 1.445 23 residues pruned to eliminate duplicates Z: 45 27.845 2.059 0.524 0.509 0.909 0.545 CB 1.458 45 residues pruned to eliminate duplicates Z: 26 18.054 1.986 0.516 0.444 0.840 0.560 CA 1.512 26 residues pruned to eliminate duplicates Z: 21 21.938 2.111 0.477 0.532 0.950 0.700 CA 1.605 23 residues pruned to eliminate duplicates Z: 10 16.279 2.120 0.509 0.648 1.000 0.556 CA 1.477 10 residues pruned to eliminate duplicates Z: 10 18.158 1.949 0.792 0.701 1.000 0.556 CA 1.443 9 residues pruned to eliminate duplicates Z: 10 15.438 1.799 0.784 0.863 1.000 0.889 CA 1.176 10 residues pruned to eliminate duplicates Z: 23 18.621 2.028 0.531 0.469 0.909 0.591 CA 1.451 23 residues pruned to eliminate duplicates Z: 47 30.724 2.068 0.554 0.537 0.913 0.587 CB 1.489 47 residues pruned to eliminate duplicates Z: 24 18.926 2.063 0.583 0.479 0.826 0.478 CA 1.495 24 residues pruned to eliminate duplicates Z: 49 29.448 2.048 0.523 0.500 0.917 0.438 CB 1.487 49 residues pruned to eliminate duplicates Z: 32 20.514 2.044 0.488 0.430 0.871 0.581 CA 1.495 32 residues pruned to eliminate duplicates Z: 38 42.838 2.100 0.706 0.696 0.973 0.432 CB 1.689 49 residues pruned to eliminate duplicates Z: 11 21.551 2.136 0.838 0.824 0.900 0.300 CB 1.457 Z: 10 23.991 2.073 0.824 0.901 1.000 0.444 CB 1.510 10 residues pruned to eliminate duplicates Z: 10 17.491 1.881 1.063 0.820 0.889 0.556 CA 1.281 10 residues pruned to eliminate duplicates Z: 12 20.476 2.070 0.623 0.748 0.909 0.455 CB 1.619 11 residues pruned to eliminate duplicates Z: 10 22.997 2.113 0.699 0.899 1.000 0.667 CA 1.526 10 residues pruned to eliminate duplicates Z: 12 18.666 1.993 0.968 0.751 0.818 0.364 CB 1.401 12 residues pruned to eliminate duplicates Z: 28 19.852 1.922 0.393 0.488 0.889 0.481 CB 1.625 28 residues pruned to eliminate duplicates Z: 52 38.168 2.043 0.740 0.612 0.902 0.529 CB 1.500 64 residues pruned to eliminate duplicates Z: 12 6.963 1.993 0.096 0.401 0.818 0.455 CB 1.303 12 residues pruned to eliminate duplicates Z: 12 6.750 1.922 0.201 0.351 0.818 0.455 CB 1.266 11 residues pruned to eliminate duplicates Z: 7 4.606 1.859 0.073 0.476 1.000 0.500 CB 0.966 7 residues pruned to eliminate duplicates Z: 12 7.481 1.975 0.277 0.362 0.818 0.636 CB 1.268 12 residues pruned to eliminate duplicates Z: 8 2.699 1.669 -0.081 0.435 1.000 0.571 CB 0.711 8 residues pruned to eliminate duplicates Z: 10 6.636 2.064 0.234 0.391 0.778 0.333 CB 1.254 10 residues pruned to eliminate duplicates Z: 13 6.415 1.851 0.364 0.372 0.750 0.583 CB 1.121 13 residues pruned to eliminate duplicates Z: 10 7.167 1.962 0.266 0.408 0.778 0.556 CB 1.361 10 residues pruned to eliminate duplicates Z: 11 6.831 2.007 0.112 0.362 0.800 0.600 CB 1.404 11 residues pruned to eliminate duplicates Z: 11 2.220 1.725 0.119 0.142 0.500 0.100 CB 1.133 11 residues pruned to eliminate duplicates Z: 14 8.177 1.902 0.531 0.298 0.846 0.462 CB 1.153 13 residues pruned to eliminate duplicates Z: 6 5.794 1.825 0.348 0.432 1.000 0.800 CB 1.130 5 residues pruned to eliminate duplicates Z: 6 5.889 1.443 0.492 0.645 1.000 0.800 N 1.069 6 residues pruned to eliminate duplicates Z: 15 8.187 1.875 0.241 0.414 0.857 0.786 CB 1.199 14 residues pruned to eliminate duplicates Z: 7 2.138 1.324 0.660 0.208 0.667 0.333 C 0.841 7 residues pruned to eliminate duplicates 604 residues left after pruning, divided into chains as follows: A: 6 B: 9 C: 8 D: 9 E: 13 F: 8 G: 7 H: 28 I: 40 J: 20 K: 8 L: 10 M: 6 N: 38 O: 10 P: 36 Q: 17 R: 8 S: 24 T: 63 U: 209 V: 11 W: 16 CC for partial structure against native data = 22.35 % ------------------------------------------------------------------------------ Global autotracing cycle 14 = 0.300, Contrast = 0.405, Connect. = 0.683 for dens.mod. cycle 1 = 0.300, Contrast = 0.464, Connect. = 0.702 for dens.mod. cycle 2 = 0.300, Contrast = 0.542, Connect. = 0.738 for dens.mod. cycle 3 = 0.300, Contrast = 0.549, Connect. = 0.743 for dens.mod. cycle 4 = 0.300, Contrast = 0.558, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.563, Connect. = 0.750 for dens.mod. cycle 6 = 0.300, Contrast = 0.568, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.571, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.573, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.575, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6782 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1239 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 6.469 1.799 0.240 0.323 0.812 0.500 CB 1.084 B: 19 24.625 2.187 0.475 0.825 0.944 0.500 CB 1.438 C: 23 39.464 2.099 0.674 0.912 1.000 0.773 CA 1.695 D: 19 19.583 2.138 0.067 0.903 1.000 0.944 CB 1.442 19 residues pruned to eliminate duplicates E: 21 25.612 2.086 0.354 0.869 1.000 0.600 CA 1.482 19 residues pruned to eliminate duplicates F: 11 19.813 2.122 0.649 0.877 1.000 0.800 CB 1.301 G: 21 37.682 2.269 0.532 0.896 1.000 0.900 CA 1.736 H: 22 39.824 2.170 0.904 0.900 1.000 0.571 CA 1.502 22 residues pruned to eliminate duplicates I: 18 26.793 2.228 0.409 0.862 1.000 0.588 CA 1.519 18 residues pruned to eliminate duplicates J: 23 41.863 2.085 0.723 0.918 1.000 0.955 CB 1.753 24 residues pruned to eliminate duplicates K: 18 21.071 2.175 0.480 0.811 0.882 0.824 CB 1.372 18 residues pruned to eliminate duplicates L: 10 16.707 2.164 0.327 0.899 0.889 0.778 CB 1.559 10 residues pruned to eliminate duplicates M: 24 31.114 2.022 0.439 0.852 0.957 0.652 CA 1.725 23 residues pruned to eliminate duplicates N: 22 38.376 2.160 0.521 0.927 1.000 0.810 CA 1.786 22 residues pruned to eliminate duplicates O: 12 17.672 1.962 0.648 0.861 1.000 0.909 CB 1.211 12 residues pruned to eliminate duplicates P: 39 24.542 2.080 0.502 0.452 0.895 0.447 CA 1.496 Q: 18 35.380 2.256 0.756 0.910 1.000 0.706 CA 1.536 18 residues pruned to eliminate duplicates R: 21 41.277 2.250 0.737 0.922 1.000 0.800 CA 1.661 21 residues pruned to eliminate duplicates S: 22 28.681 2.100 0.526 0.842 0.905 0.619 CA 1.609 22 residues pruned to eliminate duplicates T: 6 5.446 1.944 0.327 0.300 1.000 0.600 CB 1.181 U: 6 3.575 1.720 0.124 0.297 0.800 0.600 CB 1.296 V: 25 19.529 1.970 0.550 0.626 0.917 0.500 CB 1.265 18 residues pruned to eliminate duplicates W: 29 15.722 1.950 0.323 0.419 0.929 0.571 CB 1.350 X: 20 21.249 2.102 0.290 0.861 1.000 0.737 CB 1.320 20 residues pruned to eliminate duplicates Y: 22 39.323 2.123 0.696 0.915 1.000 0.762 CA 1.684 22 residues pruned to eliminate duplicates Z: 20 12.005 1.923 0.650 0.437 0.737 0.526 CA 1.257 Z: 15 9.261 1.972 0.222 0.477 0.714 0.500 CB 1.472 12 residues pruned to eliminate duplicates Z: 21 23.666 2.058 0.652 0.900 0.900 0.600 CB 1.235 21 residues pruned to eliminate duplicates Z: 22 38.539 2.151 0.747 0.896 1.000 0.714 CA 1.603 21 residues pruned to eliminate duplicates Z: 35 20.628 1.947 0.478 0.466 0.882 0.529 CA 1.442 12 residues pruned to eliminate duplicates Z: 10 18.116 2.167 0.551 0.895 0.889 0.889 CB 1.448 10 residues pruned to eliminate duplicates Z: 22 44.309 2.142 0.816 0.914 1.000 0.571 CA 1.758 22 residues pruned to eliminate duplicates Z: 22 29.086 2.161 0.428 0.895 1.000 0.762 CA 1.474 22 residues pruned to eliminate duplicates Z: 24 23.136 2.133 0.942 0.395 0.870 0.652 CA 1.496 Z: 9 10.326 2.024 0.397 0.587 1.000 0.750 CB 1.189 9 residues pruned to eliminate duplicates Z: 63 45.353 2.184 0.853 0.500 0.887 0.403 CB 1.605 44 residues pruned to eliminate duplicates Z: 21 39.174 2.107 0.813 0.903 0.950 0.600 CA 1.720 21 residues pruned to eliminate duplicates Z: 36 27.434 2.014 0.505 0.635 0.971 0.571 CA 1.388 Z: 22 34.188 2.123 0.734 0.887 0.857 0.571 CB 1.704 22 residues pruned to eliminate duplicates Z: 21 17.879 2.040 0.509 0.523 0.800 0.700 CA 1.587 20 residues pruned to eliminate duplicates Z: 22 39.772 2.167 0.583 0.894 1.000 0.952 CA 1.815 22 residues pruned to eliminate duplicates Z: 21 44.698 2.163 0.873 0.918 1.000 0.350 CB 1.741 21 residues pruned to eliminate duplicates Z: 81 38.786 2.058 0.430 0.571 0.925 0.613 CA 1.488 77 residues pruned to eliminate duplicates Z: 17 10.933 2.004 0.298 0.391 0.875 0.312 CB 1.348 Z: 11 7.176 1.877 0.288 0.433 0.900 0.700 CB 1.118 Z: 12 13.315 1.703 0.664 0.785 1.000 0.545 CB 1.102 Z: 30 16.108 2.040 0.617 0.346 0.793 0.483 CA 1.352 30 residues pruned to eliminate duplicates Z: 15 8.964 1.745 0.612 0.336 0.857 0.429 CB 1.188 Z: 20 23.596 2.143 0.455 0.824 0.895 0.579 CB 1.466 20 residues pruned to eliminate duplicates Z: 22 33.838 2.153 0.652 0.885 0.952 0.762 CA 1.573 22 residues pruned to eliminate duplicates Z: 21 45.363 2.255 0.909 0.908 0.950 0.750 CA 1.761 21 residues pruned to eliminate duplicates Z: 7 6.985 1.832 0.431 0.691 0.833 0.833 N 1.096 Z: 19 19.675 2.102 0.232 0.884 1.000 1.000 CB 1.294 19 residues pruned to eliminate duplicates Z: 37 22.090 2.072 0.422 0.415 0.889 0.528 CB 1.536 39 residues pruned to eliminate duplicates Z: 12 13.894 2.010 0.225 0.856 1.000 0.727 CB 1.255 12 residues pruned to eliminate duplicates Z: 21 40.506 2.204 0.739 0.892 1.000 0.550 CA 1.698 22 residues pruned to eliminate duplicates Z: 33 15.750 1.901 0.450 0.394 0.812 0.562 CA 1.391 25 residues pruned to eliminate duplicates Z: 36 29.795 2.079 0.553 0.615 0.971 0.686 CB 1.440 36 residues pruned to eliminate duplicates Z: 32 31.826 2.117 0.602 0.619 0.935 0.710 CA 1.610 19 residues pruned to eliminate duplicates Z: 8 18.234 1.968 0.788 0.674 1.000 0.714 N 1.668 Z: 12 22.174 2.148 0.620 0.911 1.000 0.727 CA 1.362 12 residues pruned to eliminate duplicates Z: 37 24.744 2.098 0.494 0.498 0.917 0.639 CA 1.439 45 residues pruned to eliminate duplicates Z: 28 20.295 2.134 0.574 0.350 0.852 0.481 CA 1.606 23 residues pruned to eliminate duplicates Z: 19 12.959 2.006 0.919 0.306 0.778 0.611 CA 1.266 10 residues pruned to eliminate duplicates Z: 19 25.616 2.164 0.349 0.901 1.000 0.722 CB 1.476 19 residues pruned to eliminate duplicates Z: 15 19.334 2.091 0.438 0.911 1.000 0.929 CA 1.218 15 residues pruned to eliminate duplicates Z: 12 13.647 1.700 0.369 0.881 1.000 0.727 CA 1.280 13 residues pruned to eliminate duplicates Z: 15 7.664 1.750 0.489 0.342 0.714 0.214 CB 1.307 Z: 7 13.366 1.937 0.909 0.524 1.000 0.500 N 1.441 Z: 22 13.656 2.150 0.635 0.317 0.762 0.524 CB 1.362 22 residues pruned to eliminate duplicates Z: 35 29.522 2.084 0.480 0.667 0.971 0.765 CA 1.449 35 residues pruned to eliminate duplicates Z: 22 34.074 2.191 0.614 0.872 0.952 0.762 CA 1.609 22 residues pruned to eliminate duplicates Z: 41 28.282 2.040 0.573 0.530 0.925 0.550 CB 1.463 41 residues pruned to eliminate duplicates Z: 20 37.488 2.139 0.634 0.900 1.000 0.684 CA 1.757 20 residues pruned to eliminate duplicates Z: 21 21.677 2.178 0.747 0.423 0.950 0.500 CB 1.452 21 residues pruned to eliminate duplicates Z: 23 40.695 2.048 0.818 0.915 1.000 0.773 CA 1.646 23 residues pruned to eliminate duplicates Z: 52 40.721 2.165 0.643 0.610 0.882 0.451 CB 1.636 63 residues pruned to eliminate duplicates Z: 50 47.667 2.133 0.620 0.702 1.000 0.592 CA 1.639 51 residues pruned to eliminate duplicates Z: 18 21.068 2.086 0.420 0.873 0.941 0.882 CA 1.334 18 residues pruned to eliminate duplicates Z: 23 13.898 2.010 0.389 0.359 0.864 0.500 CA 1.432 13 residues pruned to eliminate duplicates Z: 13 7.248 1.832 0.205 0.310 0.833 0.333 CA 1.404 Z: 42 30.738 2.094 0.559 0.562 0.902 0.634 CB 1.535 42 residues pruned to eliminate duplicates Z: 23 14.100 2.021 0.631 0.335 0.773 0.591 CB 1.414 23 residues pruned to eliminate duplicates Z: 23 36.798 2.116 0.656 0.889 0.909 0.818 CA 1.773 23 residues pruned to eliminate duplicates Z: 20 35.244 2.295 0.487 0.899 1.000 0.842 CB 1.693 20 residues pruned to eliminate duplicates Z: 18 12.153 1.979 0.401 0.372 0.824 0.294 CB 1.482 17 residues pruned to eliminate duplicates Z: 11 6.029 1.927 0.223 0.448 0.900 0.500 CB 0.948 11 residues pruned to eliminate duplicates Z: 19 21.517 2.087 0.215 0.906 1.000 0.944 CB 1.423 Z: 6 9.376 1.962 0.392 0.610 0.800 0.800 N 1.729 Z: 13 13.835 1.917 0.672 0.684 0.833 0.417 CB 1.263 13 residues pruned to eliminate duplicates Z: 21 13.851 1.989 0.329 0.438 0.900 0.400 CB 1.388 21 residues pruned to eliminate duplicates Z: 46 26.718 2.037 0.434 0.515 0.956 0.600 CB 1.405 46 residues pruned to eliminate duplicates Z: 8 3.816 1.981 -0.058 0.470 0.857 0.571 CB 0.930 8 residues pruned to eliminate duplicates Z: 22 15.365 1.924 0.433 0.563 0.810 0.524 CB 1.413 22 residues pruned to eliminate duplicates Z: 23 34.966 2.108 0.520 0.921 1.000 0.955 CA 1.637 23 residues pruned to eliminate duplicates Z: 21 35.735 2.135 0.754 0.899 0.900 0.400 CA 1.695 21 residues pruned to eliminate duplicates Z: 22 15.157 1.900 0.470 0.495 0.905 0.571 CB 1.316 22 residues pruned to eliminate duplicates Z: 18 25.637 2.194 0.428 0.897 1.000 0.765 CB 1.420 18 residues pruned to eliminate duplicates Z: 12 16.190 2.049 0.411 0.628 1.000 0.727 CB 1.497 13 residues pruned to eliminate duplicates Z: 29 17.861 2.003 0.620 0.396 0.857 0.607 CB 1.355 29 residues pruned to eliminate duplicates Z: 14 8.346 1.757 0.157 0.457 0.923 0.385 CB 1.288 Z: 12 15.276 1.707 0.633 0.867 1.000 0.727 CA 1.208 12 residues pruned to eliminate duplicates Z: 24 21.638 2.096 0.657 0.394 0.957 0.565 CA 1.519 25 residues pruned to eliminate duplicates Z: 22 29.682 2.151 0.508 0.872 0.952 0.762 CA 1.528 22 residues pruned to eliminate duplicates Z: 20 50.654 2.261 1.067 0.938 1.000 0.526 CB 1.729 20 residues pruned to eliminate duplicates Z: 15 7.625 1.891 0.040 0.440 0.929 0.571 CB 1.188 Z: 35 23.508 2.070 0.277 0.602 0.971 0.676 CA 1.425 35 residues pruned to eliminate duplicates Z: 20 10.263 1.930 0.318 0.381 0.895 0.579 CB 1.174 19 residues pruned to eliminate duplicates Z: 34 12.074 2.017 0.312 0.351 0.697 0.424 CB 1.339 18 residues pruned to eliminate duplicates Z: 21 21.960 2.033 0.675 0.866 0.900 0.600 CB 1.173 20 residues pruned to eliminate duplicates Z: 39 19.281 2.009 0.462 0.413 0.842 0.579 CA 1.384 39 residues pruned to eliminate duplicates Z: 9 14.415 2.151 0.663 0.661 0.875 0.750 CA 1.403 9 residues pruned to eliminate duplicates Z: 7 6.108 1.809 0.132 0.556 0.833 0.667 CB 1.384 Z: 25 20.886 2.009 0.626 0.534 0.875 0.542 CA 1.442 25 residues pruned to eliminate duplicates Z: 14 10.375 2.020 0.246 0.396 0.846 0.462 CB 1.508 14 residues pruned to eliminate duplicates Z: 22 29.384 2.045 0.764 0.905 0.857 0.476 CB 1.476 22 residues pruned to eliminate duplicates Z: 8 11.303 1.953 0.399 0.551 1.000 0.857 CB 1.489 6 residues pruned to eliminate duplicates Z: 10 5.595 1.842 0.204 0.427 0.778 0.444 CB 1.167 10 residues pruned to eliminate duplicates Z: 19 17.492 1.972 0.366 0.886 0.944 0.667 CA 1.169 19 residues pruned to eliminate duplicates Z: 20 44.319 2.286 0.912 0.920 0.947 0.579 CA 1.729 20 residues pruned to eliminate duplicates Z: 6 3.083 1.888 0.162 0.359 0.800 0.600 CA 0.914 6 residues pruned to eliminate duplicates Z: 11 6.766 1.951 0.167 0.362 0.900 0.400 CB 1.210 11 residues pruned to eliminate duplicates Z: 9 13.132 1.957 0.442 0.742 0.875 0.500 CA 1.514 9 residues pruned to eliminate duplicates Z: 33 39.939 2.096 0.618 0.774 1.000 0.812 CA 1.634 38 residues pruned to eliminate duplicates Z: 7 6.536 1.813 0.164 0.657 1.000 1.000 N 1.092 Z: 19 24.553 2.112 0.666 0.879 0.944 0.722 CB 1.263 19 residues pruned to eliminate duplicates Z: 21 17.490 2.019 0.581 0.413 0.900 0.500 CA 1.492 21 residues pruned to eliminate duplicates Z: 29 12.631 1.946 0.324 0.422 0.857 0.536 CB 1.172 29 residues pruned to eliminate duplicates Z: 7 4.707 1.758 0.363 0.486 0.833 0.667 CA 0.976 Z: 27 10.498 2.057 0.492 0.408 0.654 0.385 CB 1.130 20 residues pruned to eliminate duplicates Z: 7 2.633 1.639 -0.027 0.569 0.667 0.500 CB 0.946 7 residues pruned to eliminate duplicates Z: 30 18.672 2.007 0.523 0.529 0.897 0.586 CA 1.230 36 residues pruned to eliminate duplicates Z: 21 14.121 2.102 0.683 0.356 0.800 0.500 CB 1.303 21 residues pruned to eliminate duplicates Z: 18 34.524 2.175 0.675 0.879 0.941 0.824 N 1.771 18 residues pruned to eliminate duplicates Z: 8 9.263 1.845 0.857 0.593 0.714 0.571 N 1.309 12 residues pruned to eliminate duplicates Z: 21 42.405 2.159 0.962 0.916 0.950 0.400 CA 1.664 21 residues pruned to eliminate duplicates Z: 21 24.047 1.990 0.633 0.913 0.950 0.800 CA 1.233 21 residues pruned to eliminate duplicates Z: 17 12.290 1.878 0.304 0.461 0.938 0.688 N 1.393 15 residues pruned to eliminate duplicates Z: 13 18.581 2.058 0.370 0.860 0.833 0.500 CA 1.678 13 residues pruned to eliminate duplicates Z: 9 9.477 1.861 0.282 0.842 0.875 0.500 CB 1.196 9 residues pruned to eliminate duplicates 7 1.546 1.696 0.017 0.245 0.667 0.333 N 0.737 ? Z: 12 6.164 1.810 0.232 0.372 0.818 0.364 CB 1.168 12 residues pruned to eliminate duplicates Z: 24 21.305 2.088 0.619 0.596 0.913 0.609 CA 1.313 24 residues pruned to eliminate duplicates Z: 49 30.306 2.030 0.689 0.497 0.896 0.542 CB 1.428 48 residues pruned to eliminate duplicates Z: 22 38.471 2.143 0.774 0.844 1.000 0.571 CA 1.643 22 residues pruned to eliminate duplicates Z: 24 33.363 2.063 0.601 0.842 0.957 0.696 CA 1.641 24 residues pruned to eliminate duplicates Z: 22 34.851 2.095 0.654 0.911 1.000 0.762 CA 1.555 22 residues pruned to eliminate duplicates Z: 6 7.565 1.963 0.175 0.822 1.000 1.000 CB 1.110 Z: 25 17.135 2.012 0.532 0.447 0.875 0.625 CA 1.369 25 residues pruned to eliminate duplicates Z: 7 4.667 1.663 0.271 0.529 1.000 0.667 CB 0.877 Z: 20 25.807 2.070 0.469 0.891 1.000 0.842 CB 1.399 20 residues pruned to eliminate duplicates Z: 11 11.145 1.791 0.429 0.587 1.000 0.600 CB 1.266 7 residues pruned to eliminate duplicates Z: 47 26.756 2.049 0.435 0.504 0.913 0.478 CB 1.464 47 residues pruned to eliminate duplicates Z: 36 14.502 1.954 0.417 0.438 0.857 0.543 CB 1.101 36 residues pruned to eliminate duplicates Z: 19 22.251 1.956 0.660 0.911 0.889 0.444 CA 1.288 19 residues pruned to eliminate duplicates Z: 16 8.634 1.887 0.476 0.393 0.800 0.533 CB 1.120 16 residues pruned to eliminate duplicates Z: 23 39.207 2.081 0.689 0.911 1.000 0.909 CA 1.686 23 residues pruned to eliminate duplicates Z: 15 22.116 2.176 0.384 0.892 0.929 0.714 CA 1.519 15 residues pruned to eliminate duplicates Z: 38 22.378 2.007 0.478 0.500 0.865 0.595 CA 1.433 38 residues pruned to eliminate duplicates Z: 7 3.745 1.626 0.102 0.645 0.667 0.667 CB 1.119 7 residues pruned to eliminate duplicates Z: 14 7.321 2.059 0.492 0.322 0.769 0.462 CB 1.044 Z: 17 7.717 1.649 0.257 0.481 0.938 0.438 CB 1.012 Z: 18 24.362 2.172 0.553 0.867 0.941 0.706 CB 1.361 18 residues pruned to eliminate duplicates Z: 11 7.760 1.746 0.593 0.307 1.000 0.300 CB 1.093 4 residues pruned to eliminate duplicates Z: 25 21.631 2.029 0.527 0.632 0.958 0.667 CB 1.313 25 residues pruned to eliminate duplicates Z: 20 14.720 1.975 0.320 0.396 0.947 0.632 CA 1.525 20 residues pruned to eliminate duplicates Z: 55 40.206 2.198 0.612 0.591 0.907 0.537 CA 1.561 53 residues pruned to eliminate duplicates Z: 20 29.320 2.086 0.697 0.863 0.947 0.632 CB 1.471 20 residues pruned to eliminate duplicates Z: 6 6.072 1.933 0.235 0.475 0.800 0.400 CB 1.459 6 residues pruned to eliminate duplicates Z: 7 6.574 1.795 0.189 0.587 1.000 0.667 C 1.157 8 residues pruned to eliminate duplicates Z: 10 9.081 1.823 0.288 0.436 1.000 0.556 CB 1.377 11 residues pruned to eliminate duplicates Z: 17 22.364 2.244 0.324 0.852 0.938 0.750 CB 1.485 17 residues pruned to eliminate duplicates Z: 19 12.719 1.880 0.392 0.372 0.889 0.389 CB 1.478 15 residues pruned to eliminate duplicates Z: 39 23.052 2.073 0.541 0.487 0.842 0.605 CA 1.409 39 residues pruned to eliminate duplicates Z: 65 50.181 2.184 0.713 0.607 0.953 0.703 CA 1.589 81 residues pruned to eliminate duplicates Z: 27 18.823 2.150 0.652 0.357 0.846 0.577 CA 1.434 27 residues pruned to eliminate duplicates Z: 11 10.984 1.756 0.341 0.862 0.900 0.700 CB 1.203 11 residues pruned to eliminate duplicates Z: 6 5.583 1.787 0.280 0.464 0.800 0.600 N 1.415 Z: 7 7.732 2.028 0.009 0.795 1.000 0.667 CA 1.191 Z: 23 36.059 2.082 0.676 0.882 0.955 0.636 CA 1.671 23 residues pruned to eliminate duplicates Z: 23 10.138 1.940 0.497 0.388 0.773 0.500 CB 1.085 19 residues pruned to eliminate duplicates Z: 11 7.760 1.707 0.095 0.597 0.900 0.700 CA 1.330 11 residues pruned to eliminate duplicates Z: 17 13.466 2.054 0.460 0.326 0.938 0.500 CA 1.449 17 residues pruned to eliminate duplicates Z: 9 11.662 1.970 0.214 0.693 1.000 0.625 CB 1.445 9 residues pruned to eliminate duplicates Z: 37 24.700 2.025 0.518 0.472 0.944 0.556 CA 1.458 37 residues pruned to eliminate duplicates Z: 38 20.518 2.065 0.382 0.447 0.838 0.486 CA 1.489 39 residues pruned to eliminate duplicates Z: 21 44.347 2.273 0.862 0.914 0.950 0.650 CA 1.744 21 residues pruned to eliminate duplicates Z: 12 15.603 2.015 0.493 0.869 1.000 0.545 CB 1.142 12 residues pruned to eliminate duplicates Z: 17 13.020 1.990 0.702 0.342 0.812 0.438 CA 1.405 17 residues pruned to eliminate duplicates Z: 13 10.728 2.030 0.411 0.357 0.917 0.583 CB 1.377 13 residues pruned to eliminate duplicates 6 0.981 1.301 0.472 0.444 0.800 0.400 C 0.304 ? Z: 38 16.137 2.015 0.171 0.357 0.865 0.514 CB 1.516 18 residues pruned to eliminate duplicates Z: 40 15.591 1.995 0.205 0.303 0.846 0.359 CB 1.527 40 residues pruned to eliminate duplicates Z: 7 3.750 1.635 0.061 0.487 1.000 0.500 C 0.894 Z: 44 15.233 1.914 0.205 0.326 0.860 0.372 CB 1.418 42 residues pruned to eliminate duplicates Z: 10 11.259 1.766 0.613 0.832 1.000 0.667 CA 0.989 10 residues pruned to eliminate duplicates Z: 15 9.529 1.877 0.637 0.406 0.786 0.500 CA 1.164 7 residues pruned to eliminate duplicates Z: 10 5.119 2.026 0.376 0.150 0.889 0.222 CA 1.058 10 residues pruned to eliminate duplicates Z: 19 21.256 2.059 0.706 0.556 0.889 0.722 CA 1.520 19 residues pruned to eliminate duplicates Z: 21 51.125 2.208 1.127 0.914 1.000 0.600 CA 1.721 31 residues pruned to eliminate duplicates Z: 9 7.580 1.443 0.680 0.728 0.875 0.625 CA 1.029 Z: 17 14.789 1.884 0.755 0.534 0.938 0.500 CA 1.153 17 residues pruned to eliminate duplicates Z: 6 3.415 1.178 0.475 0.765 1.000 0.600 CB 0.695 Z: 10 11.340 1.893 0.174 0.846 1.000 0.778 CB 1.264 10 residues pruned to eliminate duplicates Z: 21 30.016 2.054 0.728 0.846 0.900 0.450 CB 1.562 21 residues pruned to eliminate duplicates Z: 6 2.129 1.455 0.872 0.345 0.600 0.400 CB 0.690 Z: 21 11.184 1.967 0.306 0.473 0.750 0.400 CB 1.335 21 residues pruned to eliminate duplicates Z: 10 5.902 1.634 0.345 0.400 0.778 0.556 CA 1.279 8 residues pruned to eliminate duplicates Z: 30 12.907 1.990 0.474 0.365 0.793 0.414 CB 1.191 31 residues pruned to eliminate duplicates Z: 11 7.189 1.878 0.074 0.334 0.900 0.500 CB 1.502 11 residues pruned to eliminate duplicates Z: 37 14.584 1.997 0.190 0.343 0.861 0.639 CB 1.409 37 residues pruned to eliminate duplicates Z: 27 12.952 1.934 0.276 0.480 0.923 0.577 CB 1.137 29 residues pruned to eliminate duplicates Z: 8 3.415 1.614 0.246 0.354 0.714 0.571 CB 1.052 Z: 40 19.285 2.006 0.333 0.456 0.846 0.615 CA 1.428 40 residues pruned to eliminate duplicates Z: 22 34.061 2.134 0.497 0.898 0.905 0.476 CB 1.838 22 residues pruned to eliminate duplicates Z: 29 18.547 1.998 0.537 0.460 0.893 0.571 CA 1.332 29 residues pruned to eliminate duplicates Z: 6 8.426 1.835 0.437 0.847 1.000 1.000 CB 1.061 6 residues pruned to eliminate duplicates Z: 13 23.673 2.002 0.759 0.879 1.000 0.500 CB 1.407 13 residues pruned to eliminate duplicates Z: 8 4.661 1.868 0.428 0.406 0.429 0.286 N 1.700 8 residues pruned to eliminate duplicates Z: 20 20.151 1.961 0.484 0.920 0.947 0.526 CA 1.181 20 residues pruned to eliminate duplicates Z: 14 5.492 1.775 0.182 0.414 0.846 0.385 CB 0.939 14 residues pruned to eliminate duplicates Z: 21 17.302 1.977 0.473 0.584 0.850 0.500 CB 1.442 21 residues pruned to eliminate duplicates Z: 7 4.126 1.370 -0.005 0.865 1.000 1.000 CB 0.905 7 residues pruned to eliminate duplicates Z: 45 37.992 2.163 0.641 0.662 0.932 0.682 CA 1.491 45 residues pruned to eliminate duplicates Z: 10 17.270 2.098 0.649 0.872 0.889 0.667 CA 1.365 10 residues pruned to eliminate duplicates Z: 8 3.924 1.706 -0.194 0.581 0.857 0.571 CB 1.164 6 1.749 1.591 0.539 0.295 0.400 0.400 N 1.005 ? Z: 19 21.100 1.884 0.695 0.918 0.889 0.722 CA 1.236 19 residues pruned to eliminate duplicates Z: 7 5.749 1.992 0.168 0.545 0.833 0.833 CB 1.158 7 residues pruned to eliminate duplicates Z: 7 4.393 1.751 0.474 0.544 0.667 0.500 CB 0.998 7 residues pruned to eliminate duplicates Z: 10 4.033 1.597 0.193 0.254 0.889 0.444 CA 1.053 10 residues pruned to eliminate duplicates Z: 18 9.488 1.940 0.401 0.389 0.824 0.588 CA 1.156 Z: 8 10.013 1.755 0.470 0.844 0.857 0.714 CA 1.274 6 residues pruned to eliminate duplicates Z: 19 23.071 1.964 0.791 0.871 0.944 0.556 CA 1.194 19 residues pruned to eliminate duplicates Z: 6 5.066 1.564 0.124 0.705 1.000 0.800 CA 1.070 6 residues pruned to eliminate duplicates Z: 15 8.539 2.069 0.022 0.354 0.786 0.357 CA 1.608 15 residues pruned to eliminate duplicates Z: 17 12.168 1.903 0.659 0.556 0.812 0.500 CA 1.123 17 residues pruned to eliminate duplicates Z: 10 4.945 1.736 0.072 0.476 0.667 0.444 CA 1.361 10 residues pruned to eliminate duplicates Z: 7 6.237 1.607 0.201 0.775 1.000 0.833 CB 1.035 Z: 25 21.821 1.997 0.713 0.524 0.917 0.417 CA 1.388 25 residues pruned to eliminate duplicates Z: 11 11.652 1.881 0.705 0.526 0.800 0.700 CA 1.400 11 residues pruned to eliminate duplicates Z: 13 9.311 1.897 0.401 0.424 0.833 0.500 CA 1.313 13 residues pruned to eliminate duplicates Z: 20 25.880 1.967 0.638 0.941 1.000 0.579 CA 1.279 20 residues pruned to eliminate duplicates Z: 16 10.508 1.855 0.306 0.474 0.867 0.533 CB 1.328 15 residues pruned to eliminate duplicates Z: 14 8.186 2.081 0.452 0.304 0.692 0.462 CB 1.349 Z: 9 5.894 2.186 0.469 0.448 0.750 0.500 CB 0.913 9 residues pruned to eliminate duplicates Z: 18 34.572 2.103 1.295 0.864 0.824 0.471 CB 1.547 18 residues pruned to eliminate duplicates Z: 10 14.577 1.843 0.518 0.834 1.000 0.667 CB 1.302 10 residues pruned to eliminate duplicates Z: 40 29.346 2.058 0.472 0.604 0.897 0.538 CB 1.566 40 residues pruned to eliminate duplicates Z: 14 10.762 1.958 0.178 0.448 0.923 0.615 CB 1.480 14 residues pruned to eliminate duplicates Z: 18 14.428 1.922 0.429 0.454 0.824 0.529 N 1.621 18 residues pruned to eliminate duplicates Z: 12 5.954 1.444 0.576 0.473 0.818 0.636 N 0.991 Z: 17 10.775 1.927 0.339 0.385 0.875 0.438 CB 1.348 17 residues pruned to eliminate duplicates Z: 23 9.513 1.885 0.372 0.278 0.818 0.545 CB 1.232 23 residues pruned to eliminate duplicates Z: 21 11.073 1.796 0.455 0.339 0.900 0.500 CA 1.255 39 residues pruned to eliminate duplicates Z: 21 40.329 2.248 0.821 0.903 0.900 0.400 CA 1.744 21 residues pruned to eliminate duplicates Z: 18 10.904 1.946 0.261 0.410 0.824 0.529 CB 1.439 18 residues pruned to eliminate duplicates Z: 7 3.521 1.740 0.213 0.421 0.833 0.500 CA 0.888 Z: 16 13.109 1.912 0.143 0.502 0.933 0.533 CA 1.655 15 residues pruned to eliminate duplicates Z: 19 16.777 2.014 0.455 0.554 0.833 0.667 CA 1.536 19 residues pruned to eliminate duplicates Z: 24 16.591 2.054 0.412 0.377 0.913 0.391 CA 1.490 24 residues pruned to eliminate duplicates Z: 29 18.089 1.946 0.555 0.407 0.857 0.536 CA 1.453 29 residues pruned to eliminate duplicates Z: 6 3.811 1.812 0.350 0.469 0.800 0.800 CB 0.899 Z: 10 5.004 1.574 0.205 0.414 0.778 0.667 N 1.237 10 residues pruned to eliminate duplicates Z: 21 34.296 2.092 0.816 0.938 0.900 0.350 CB 1.560 21 residues pruned to eliminate duplicates Z: 16 11.124 1.934 0.345 0.520 0.933 0.467 CB 1.160 16 residues pruned to eliminate duplicates Z: 22 15.801 1.908 0.642 0.491 0.810 0.429 CB 1.371 22 residues pruned to eliminate duplicates Z: 8 5.628 1.766 0.823 0.409 0.714 0.571 CB 1.018 6 residues pruned to eliminate duplicates Z: 7 8.204 1.912 -0.014 0.802 1.000 0.833 CA 1.365 7 residues pruned to eliminate duplicates Z: 7 6.403 1.783 0.363 0.416 0.833 0.667 CB 1.409 Z: 34 27.380 2.087 0.665 0.588 0.788 0.333 CA 1.601 52 residues pruned to eliminate duplicates Z: 7 5.930 1.664 0.451 0.505 0.833 0.667 N 1.197 7 residues pruned to eliminate duplicates Z: 11 6.371 1.792 0.151 0.571 0.800 0.600 CB 1.139 6 residues pruned to eliminate duplicates Z: 8 9.882 2.009 0.052 0.821 1.000 0.714 CA 1.339 8 residues pruned to eliminate duplicates Z: 14 11.687 2.021 0.354 0.457 0.923 0.846 CA 1.341 18 residues pruned to eliminate duplicates Z: 7 3.441 1.352 0.596 0.395 0.833 0.500 CB 0.873 7 residues pruned to eliminate duplicates Z: 18 9.634 2.058 0.031 0.319 0.824 0.294 CB 1.632 18 residues pruned to eliminate duplicates Z: 10 12.994 1.856 0.576 0.678 1.000 1.000 CA 1.257 10 residues pruned to eliminate duplicates Z: 9 4.614 1.651 0.374 0.254 0.875 0.625 CB 1.090 8 residues pruned to eliminate duplicates Z: 18 7.246 1.905 0.012 0.421 0.765 0.353 CB 1.295 16 residues pruned to eliminate duplicates Z: 9 6.232 1.609 0.364 0.624 1.000 0.750 CA 0.893 8 residues pruned to eliminate duplicates Z: 11 16.361 2.079 0.604 0.895 0.900 0.900 CB 1.237 11 residues pruned to eliminate duplicates Z: 10 7.194 1.949 0.671 0.369 0.778 0.556 CA 1.090 11 residues pruned to eliminate duplicates Z: 26 8.628 1.810 0.246 0.293 0.720 0.400 CB 1.340 24 residues pruned to eliminate duplicates Z: 7 5.052 1.734 0.268 0.614 0.833 0.833 N 1.011 6 residues pruned to eliminate duplicates Z: 16 9.535 1.988 0.141 0.340 0.800 0.467 CA 1.614 16 residues pruned to eliminate duplicates Z: 22 16.075 2.093 0.761 0.411 0.810 0.524 CB 1.290 36 residues pruned to eliminate duplicates Z: 6 3.423 1.771 0.032 0.470 0.800 0.600 CB 1.079 Z: 7 8.830 1.644 0.493 0.672 1.000 0.500 CB 1.253 7 residues pruned to eliminate duplicates Z: 6 5.544 1.816 0.610 0.366 1.000 0.800 CA 0.979 6 residues pruned to eliminate duplicates Z: 12 11.800 2.067 -0.068 0.885 1.000 0.909 CA 1.334 12 residues pruned to eliminate duplicates Z: 7 2.625 1.370 0.460 0.437 0.667 0.500 CA 0.858 Z: 25 15.064 1.947 0.613 0.367 0.917 0.417 CB 1.233 24 residues pruned to eliminate duplicates Z: 7 13.589 1.894 0.712 0.759 1.000 0.833 CA 1.358 7 residues pruned to eliminate duplicates Z: 15 7.467 1.553 0.128 0.591 1.000 0.500 CB 1.044 6 residues pruned to eliminate duplicates Z: 22 18.761 1.832 0.508 0.860 1.000 0.762 CA 1.089 22 residues pruned to eliminate duplicates Z: 16 14.550 2.053 0.708 0.453 0.800 0.667 CA 1.405 16 residues pruned to eliminate duplicates Z: 6 10.539 1.784 0.487 0.691 1.000 0.600 N 1.492 Z: 6 3.747 1.675 -0.082 0.674 0.800 0.800 CB 1.160 6 residues pruned to eliminate duplicates Z: 13 6.183 1.553 0.794 0.319 0.833 0.417 CB 0.939 13 residues pruned to eliminate duplicates Z: 6 3.905 1.589 0.201 0.462 0.800 0.600 C 1.189 Z: 18 21.229 1.987 0.924 0.906 0.941 0.412 CB 1.018 18 residues pruned to eliminate duplicates Z: 6 9.242 1.853 0.492 0.805 1.000 1.000 CB 1.145 Z: 6 3.194 1.688 0.187 0.482 0.800 0.400 CB 0.908 Z: 15 7.869 1.664 0.316 0.438 0.929 0.571 CA 1.103 15 residues pruned to eliminate duplicates Z: 32 35.719 2.033 0.600 0.741 0.935 0.742 CA 1.698 32 residues pruned to eliminate duplicates Z: 30 16.021 1.993 0.201 0.370 0.931 0.483 CA 1.535 30 residues pruned to eliminate duplicates Z: 11 23.290 2.123 1.058 0.904 0.900 0.600 CB 1.334 11 residues pruned to eliminate duplicates Z: 10 13.301 1.632 0.726 0.884 1.000 0.444 CB 1.138 10 residues pruned to eliminate duplicates Z: 19 9.398 1.834 0.300 0.312 0.889 0.611 CA 1.288 19 residues pruned to eliminate duplicates Z: 6 4.037 1.339 0.496 0.548 1.000 0.600 CB 0.860 Z: 6 4.718 1.665 0.500 0.577 0.800 0.600 CA 0.980 Z: 22 32.069 2.124 0.483 0.909 0.952 0.619 CB 1.655 22 residues pruned to eliminate duplicates Z: 23 18.899 2.002 0.282 0.757 0.909 0.682 CB 1.374 18 residues pruned to eliminate duplicates Z: 9 6.637 1.584 0.330 0.504 0.875 0.375 CA 1.268 Z: 7 5.441 1.832 0.028 0.402 0.833 0.833 CA 1.571 7 residues pruned to eliminate duplicates Z: 6 3.342 1.928 -0.040 0.422 0.800 0.400 CB 1.095 6 residues pruned to eliminate duplicates Z: 6 2.470 1.273 0.259 0.533 1.000 0.600 N 0.667 Z: 8 3.293 1.425 0.172 0.453 0.714 0.429 CB 1.095 7 residues pruned to eliminate duplicates Z: 11 8.275 1.876 0.189 0.429 1.000 0.600 CB 1.263 Z: 23 21.784 2.028 0.592 0.599 0.909 0.545 CB 1.440 23 residues pruned to eliminate duplicates Z: 6 3.967 1.620 0.470 0.294 0.800 0.600 C 1.173 Z: 36 33.059 2.081 0.603 0.678 0.914 0.771 CA 1.555 36 residues pruned to eliminate duplicates Z: 6 5.351 1.951 0.288 0.476 0.800 0.400 CB 1.219 6 residues pruned to eliminate duplicates Z: 15 11.084 1.879 0.838 0.351 0.786 0.429 CB 1.283 13 residues pruned to eliminate duplicates Z: 11 4.907 1.756 0.220 0.295 0.900 0.500 CA 1.012 11 residues pruned to eliminate duplicates Z: 26 11.606 1.836 0.290 0.398 0.880 0.520 CA 1.240 26 residues pruned to eliminate duplicates Z: 8 12.950 1.916 0.609 0.593 1.000 0.714 CB 1.453 7 residues pruned to eliminate duplicates Z: 14 4.049 1.785 0.495 0.238 0.692 0.538 CA 0.824 14 residues pruned to eliminate duplicates Z: 31 17.190 1.966 0.308 0.409 0.933 0.600 CA 1.438 31 residues pruned to eliminate duplicates Z: 40 22.453 2.047 0.465 0.478 0.897 0.590 CA 1.367 40 residues pruned to eliminate duplicates Z: 6 2.909 1.446 0.361 0.394 0.600 0.400 CA 1.231 Z: 8 2.662 1.400 0.314 0.235 1.000 0.571 CA 0.744 Z: 72 33.590 2.077 0.468 0.488 0.915 0.620 CB 1.445 78 residues pruned to eliminate duplicates Z: 10 13.605 2.112 0.550 0.517 1.000 0.889 CB 1.363 10 residues pruned to eliminate duplicates Z: 9 5.807 1.790 0.558 0.193 1.000 0.750 CA 1.062 Z: 12 3.763 1.755 0.208 0.262 0.818 0.455 CA 0.859 12 residues pruned to eliminate duplicates Z: 8 3.959 1.453 0.054 0.619 0.857 0.571 CB 1.018 Z: 18 13.282 2.018 0.385 0.445 0.824 0.471 CB 1.481 18 residues pruned to eliminate duplicates Z: 10 5.347 1.502 0.134 0.527 0.889 0.667 CB 1.146 Z: 44 26.003 2.044 0.617 0.569 0.930 0.581 CB 1.207 44 residues pruned to eliminate duplicates Z: 10 6.473 1.824 0.282 0.455 0.889 0.333 CB 1.088 10 residues pruned to eliminate duplicates Z: 33 34.544 2.050 0.667 0.719 0.969 0.781 CA 1.513 33 residues pruned to eliminate duplicates Z: 7 4.969 1.698 -0.086 0.695 1.000 0.833 CB 1.093 Z: 17 8.932 2.041 0.457 0.363 0.750 0.500 CB 1.160 17 residues pruned to eliminate duplicates Z: 7 6.853 1.866 0.715 0.540 1.000 0.667 CB 0.841 8 residues pruned to eliminate duplicates Z: 20 9.868 1.932 0.518 0.360 0.789 0.421 CB 1.137 20 residues pruned to eliminate duplicates Z: 14 7.093 1.989 0.153 0.398 0.769 0.538 CB 1.242 14 residues pruned to eliminate duplicates Z: 9 7.948 1.709 0.207 0.409 1.000 0.625 CA 1.498 9 residues pruned to eliminate duplicates Z: 20 10.609 1.948 0.494 0.305 0.842 0.474 CA 1.234 20 residues pruned to eliminate duplicates Z: 14 9.123 1.838 0.377 0.470 0.846 0.615 CA 1.218 14 residues pruned to eliminate duplicates Z: 8 2.152 1.486 0.853 0.242 0.571 0.429 CB 0.697 Z: 10 6.714 1.861 0.166 0.536 0.889 0.333 CB 1.121 10 residues pruned to eliminate duplicates Z: 37 24.047 2.087 0.456 0.477 0.889 0.556 CB 1.519 37 residues pruned to eliminate duplicates Z: 19 35.528 2.269 0.678 0.891 1.000 0.444 CB 1.582 19 residues pruned to eliminate duplicates Z: 9 9.583 1.799 0.675 0.399 1.000 0.250 CA 1.251 9 residues pruned to eliminate duplicates Z: 6 6.346 1.599 0.487 0.844 1.000 0.600 CA 0.888 6 residues pruned to eliminate duplicates Z: 19 10.529 1.874 0.172 0.420 0.889 0.222 CB 1.381 18 residues pruned to eliminate duplicates Z: 9 5.034 1.618 0.085 0.613 0.875 0.625 CA 1.042 9 residues pruned to eliminate duplicates Z: 6 6.600 1.779 0.400 0.638 1.000 0.800 CB 1.041 Z: 16 10.060 1.738 0.662 0.352 0.867 0.533 CA 1.218 16 residues pruned to eliminate duplicates Z: 6 7.519 1.648 0.427 0.680 1.000 0.800 CA 1.212 8 residues pruned to eliminate duplicates 6 1.628 1.650 0.123 0.380 0.800 0.400 CB 0.558 ? Z: 7 4.098 1.711 0.431 0.441 0.833 0.333 CB 0.872 7 residues pruned to eliminate duplicates Z: 6 5.450 1.476 0.587 0.430 1.000 0.400 CB 1.119 Z: 28 13.218 2.067 0.243 0.365 0.815 0.481 CB 1.405 28 residues pruned to eliminate duplicates Z: 8 5.008 1.743 0.291 0.450 0.714 0.286 CA 1.239 8 residues pruned to eliminate duplicates Z: 13 3.440 1.559 0.403 0.306 0.667 0.500 CB 0.845 13 residues pruned to eliminate duplicates Z: 8 3.801 1.545 0.622 0.281 0.714 0.429 C 1.027 Z: 14 7.528 1.991 0.191 0.295 0.769 0.462 CB 1.439 14 residues pruned to eliminate duplicates Z: 6 4.514 1.741 0.262 0.454 0.800 0.600 CA 1.204 Z: 10 3.862 1.705 0.192 0.269 0.667 0.333 CB 1.235 10 residues pruned to eliminate duplicates Z: 13 11.208 1.896 0.436 0.580 0.833 0.667 CA 1.319 13 residues pruned to eliminate duplicates 9 0.919 1.322 0.463 0.217 0.750 0.500 N 0.312 ? Z: 18 19.365 1.955 0.750 0.864 0.824 0.471 CB 1.222 18 residues pruned to eliminate duplicates Z: 10 8.540 1.654 0.780 0.451 0.889 0.778 CB 1.143 10 residues pruned to eliminate duplicates 6 1.892 1.557 0.260 0.305 0.600 0.400 CA 0.893 ? Z: 24 12.242 1.931 0.253 0.351 0.913 0.522 CB 1.358 26 residues pruned to eliminate duplicates Z: 7 2.013 1.274 0.233 0.390 0.667 0.500 N 0.881 Z: 12 14.259 1.601 0.794 0.820 1.000 0.636 CA 1.134 13 residues pruned to eliminate duplicates Z: 7 2.604 1.349 0.185 0.245 1.000 0.833 CB 0.892 7 residues pruned to eliminate duplicates Z: 10 5.380 1.960 0.131 0.307 0.889 0.333 CA 1.128 10 residues pruned to eliminate duplicates Z: 17 15.880 1.987 0.598 0.591 0.812 0.625 CA 1.411 17 residues pruned to eliminate duplicates Z: 15 7.774 1.887 0.286 0.507 0.714 0.500 CA 1.190 16 residues pruned to eliminate duplicates Z: 6 2.023 1.395 0.084 0.558 0.800 0.400 N 0.707 Z: 11 14.675 2.073 0.599 0.629 0.900 0.700 CA 1.378 11 residues pruned to eliminate duplicates 6 1.473 1.210 0.229 0.330 0.800 0.400 CB 0.667 ? Z: 28 12.391 1.812 0.454 0.432 0.852 0.481 CB 1.140 28 residues pruned to eliminate duplicates Z: 11 6.915 1.779 0.012 0.388 0.900 0.600 CA 1.521 13 residues pruned to eliminate duplicates Z: 9 7.866 1.598 0.271 0.538 1.000 0.875 CB 1.319 9 residues pruned to eliminate duplicates Z: 11 9.303 1.776 0.613 0.574 0.900 0.600 CB 1.062 5 residues pruned to eliminate duplicates Z: 30 11.067 1.883 0.177 0.395 0.828 0.517 CB 1.252 30 residues pruned to eliminate duplicates Z: 14 4.532 1.575 0.927 0.419 0.769 0.462 CB 0.586 Z: 25 18.150 1.954 0.517 0.531 0.833 0.708 CB 1.455 25 residues pruned to eliminate duplicates Z: 7 5.300 1.798 0.166 0.516 0.833 0.667 CB 1.219 Z: 32 14.900 1.863 0.453 0.362 0.839 0.677 CA 1.368 32 residues pruned to eliminate duplicates Z: 12 13.744 1.985 0.436 0.779 0.909 0.727 CB 1.250 12 residues pruned to eliminate duplicates Z: 14 12.882 1.997 0.460 0.458 0.923 0.692 CA 1.386 14 residues pruned to eliminate duplicates Z: 16 10.493 1.860 0.361 0.468 0.933 0.533 CB 1.185 16 residues pruned to eliminate duplicates Z: 40 20.055 1.971 0.643 0.389 0.872 0.436 CB 1.280 40 residues pruned to eliminate duplicates Z: 7 8.675 1.774 0.298 0.727 0.833 0.833 CA 1.504 7 residues pruned to eliminate duplicates Z: 23 25.185 2.128 0.815 0.484 0.955 0.500 CA 1.479 23 residues pruned to eliminate duplicates Z: 15 10.677 1.947 0.374 0.404 0.929 0.500 CB 1.271 15 residues pruned to eliminate duplicates Z: 22 9.326 1.743 0.323 0.328 0.857 0.429 CB 1.243 33 residues pruned to eliminate duplicates Z: 14 12.642 2.028 0.647 0.330 0.923 0.615 CA 1.371 14 residues pruned to eliminate duplicates Z: 6 3.555 1.310 0.604 0.491 0.800 0.400 CB 0.954 Z: 43 22.182 1.959 0.603 0.459 0.810 0.619 CA 1.404 43 residues pruned to eliminate duplicates Z: 9 13.286 1.996 0.556 0.724 1.000 1.000 CA 1.236 9 residues pruned to eliminate duplicates Z: 11 12.190 2.025 0.310 0.471 1.000 0.600 CB 1.495 11 residues pruned to eliminate duplicates Z: 8 2.352 1.285 0.067 0.422 0.714 0.429 N 0.985 Z: 15 9.205 1.827 0.252 0.443 0.857 0.500 CB 1.331 17 residues pruned to eliminate duplicates Z: 7 3.630 1.725 0.075 0.461 0.833 0.667 CA 0.998 7 residues pruned to eliminate duplicates Z: 6 4.751 2.058 0.221 0.222 0.800 0.600 N 1.464 6 residues pruned to eliminate duplicates Z: 6 4.435 1.779 -0.140 0.754 1.000 0.600 CB 1.034 5 residues pruned to eliminate duplicates 6 1.806 1.176 0.447 0.376 0.600 0.400 O 0.904 ? Z: 8 2.033 1.511 0.412 0.372 0.571 0.286 CA 0.722 8 residues pruned to eliminate duplicates Z: 12 9.161 1.680 0.121 0.582 1.000 0.727 CA 1.355 12 residues pruned to eliminate duplicates Z: 7 3.887 1.471 0.542 0.503 0.833 0.667 CB 0.837 Z: 6 5.011 1.550 0.113 0.649 1.000 0.600 CB 1.131 4 residues pruned to eliminate duplicates Z: 24 15.006 2.008 0.420 0.464 0.826 0.565 CA 1.379 24 residues pruned to eliminate duplicates Z: 17 16.450 2.019 0.692 0.426 0.938 0.562 CA 1.386 17 residues pruned to eliminate duplicates Z: 9 9.357 1.843 0.770 0.493 0.750 0.500 N 1.361 9 residues pruned to eliminate duplicates Z: 8 6.516 1.700 0.289 0.610 1.000 0.429 N 1.013 Z: 12 4.719 1.485 0.378 0.258 0.727 0.545 N 1.261 6 1.819 1.555 0.033 0.475 0.600 0.400 CB 0.866 ? Z: 10 8.973 1.884 0.305 0.615 0.889 0.556 CB 1.228 10 residues pruned to eliminate duplicates Z: 37 30.602 2.085 0.548 0.633 0.917 0.556 CB 1.521 37 residues pruned to eliminate duplicates 6 1.877 1.073 0.514 0.479 0.800 0.600 O 0.660 ? Z: 58 40.286 2.155 0.580 0.599 0.947 0.667 CA 1.505 58 residues pruned to eliminate duplicates Z: 9 3.422 1.294 0.392 0.447 0.875 0.375 CB 0.811 Z: 42 38.206 2.177 0.535 0.694 1.000 0.756 CA 1.496 42 residues pruned to eliminate duplicates Z: 10 3.442 1.482 0.443 0.440 0.889 0.444 CB 0.643 6 residues pruned to eliminate duplicates Z: 7 5.120 1.747 0.361 0.595 0.667 0.333 O 1.204 7 residues pruned to eliminate duplicates Z: 17 13.426 1.847 0.516 0.462 1.000 0.500 CB 1.246 17 residues pruned to eliminate duplicates Z: 13 4.693 1.881 0.292 0.285 0.667 0.417 CB 1.065 13 residues pruned to eliminate duplicates Z: 9 3.397 1.636 0.281 0.250 0.750 0.250 CA 1.020 9 residues pruned to eliminate duplicates Z: 22 30.581 2.103 0.612 0.885 0.952 0.714 CB 1.493 22 residues pruned to eliminate duplicates Z: 15 5.372 1.587 0.203 0.268 0.857 0.357 N 1.143 15 residues pruned to eliminate duplicates Z: 7 3.467 1.337 0.530 0.396 1.000 0.500 CA 0.772 Z: 6 3.752 1.568 -0.082 0.674 1.000 0.600 CB 0.992 Z: 6 2.260 1.573 -0.012 0.256 0.800 0.400 CB 1.076 Z: 7 7.068 1.912 0.303 0.523 0.833 0.500 CB 1.359 7 residues pruned to eliminate duplicates Z: 6 2.326 1.441 -0.070 0.450 0.800 0.600 C 1.021 Z: 10 4.861 1.590 0.454 0.435 1.000 0.778 CA 0.750 10 residues pruned to eliminate duplicates Z: 7 2.612 1.429 0.144 0.468 0.667 0.333 CB 1.011 Z: 8 7.488 2.034 0.695 0.236 0.714 0.571 CA 1.562 8 residues pruned to eliminate duplicates Z: 20 10.379 1.976 0.332 0.284 0.842 0.474 CA 1.371 20 residues pruned to eliminate duplicates Z: 20 15.714 1.969 0.452 0.427 0.947 0.421 CA 1.436 20 residues pruned to eliminate duplicates Z: 24 21.224 2.021 0.369 0.589 0.913 0.652 CB 1.609 24 residues pruned to eliminate duplicates Z: 23 11.002 1.813 0.374 0.288 0.864 0.409 CB 1.385 24 residues pruned to eliminate duplicates Z: 11 4.718 1.640 0.182 0.387 0.900 0.500 CB 0.964 11 residues pruned to eliminate duplicates Z: 6 2.122 1.211 0.491 0.298 0.800 0.800 CB 0.824 Z: 15 18.630 2.025 0.503 0.908 1.000 0.786 CA 1.162 15 residues pruned to eliminate duplicates Z: 9 12.745 2.032 0.708 0.880 1.000 0.625 CB 0.941 9 residues pruned to eliminate duplicates Z: 6 2.018 1.189 0.509 0.299 0.800 0.600 O 0.787 Z: 17 13.109 2.039 0.224 0.468 0.875 0.562 CB 1.550 17 residues pruned to eliminate duplicates Z: 13 6.616 1.552 0.664 0.365 0.833 0.417 CB 1.026 13 residues pruned to eliminate duplicates Z: 10 4.848 1.647 0.352 0.470 0.778 0.556 CB 0.962 Z: 21 15.246 1.971 0.503 0.467 0.900 0.500 CB 1.322 21 residues pruned to eliminate duplicates 7 1.512 1.176 0.514 0.322 0.833 0.500 N 0.506 ? 6 1.819 1.290 0.167 0.552 0.800 0.400 CB 0.642 ? Z: 15 18.725 1.958 0.657 0.838 0.929 0.714 CA 1.241 15 residues pruned to eliminate duplicates Z: 60 36.325 2.081 0.530 0.559 0.932 0.525 CB 1.504 60 residues pruned to eliminate duplicates Z: 6 3.742 1.550 0.083 0.493 1.000 0.800 CA 1.004 Z: 6 4.921 1.695 0.506 0.513 1.000 0.600 C 0.851 6 residues pruned to eliminate duplicates Z: 9 10.601 1.960 0.411 0.562 1.000 0.500 N 1.276 7 residues pruned to eliminate duplicates Z: 12 8.561 1.816 0.147 0.336 1.000 0.273 CB 1.482 12 residues pruned to eliminate duplicates Z: 12 15.884 2.035 0.469 0.800 0.909 0.727 CB 1.356 12 residues pruned to eliminate duplicates Z: 31 33.872 2.011 0.773 0.679 0.900 0.667 CA 1.635 31 residues pruned to eliminate duplicates Z: 12 3.879 1.529 0.217 0.448 0.818 0.636 CA 0.811 12 residues pruned to eliminate duplicates 6 1.733 1.218 0.684 0.298 0.600 0.600 CB 0.789 ? Z: 6 5.049 1.284 0.456 0.667 1.000 0.400 CA 1.035 Z: 28 26.806 2.083 0.636 0.506 0.963 0.593 CA 1.563 28 residues pruned to eliminate duplicates 6 1.365 1.347 -0.079 0.396 0.600 0.400 CB 0.915 ? Z: 8 4.208 1.633 0.039 0.618 0.857 0.714 CB 0.979 Z: 6 2.167 1.206 0.155 0.368 0.800 0.600 O 1.001 Z: 39 30.928 2.096 0.556 0.619 0.895 0.737 CA 1.537 39 residues pruned to eliminate duplicates Z: 6 6.673 1.860 0.330 0.561 1.000 0.800 CA 1.138 6 residues pruned to eliminate duplicates Z: 13 7.155 1.539 0.780 0.350 0.833 0.500 CA 1.064 6 0.964 1.463 0.312 0.282 0.400 0.400 O 0.718 ? Z: 6 11.384 1.923 0.785 0.857 1.000 1.000 CA 1.093 6 residues pruned to eliminate duplicates Z: 11 18.424 1.941 0.507 0.843 1.000 0.700 CB 1.483 11 residues pruned to eliminate duplicates Z: 36 17.157 1.962 0.582 0.390 0.914 0.457 CA 1.148 36 residues pruned to eliminate duplicates Z: 6 3.406 1.330 0.752 0.471 0.800 0.600 CA 0.842 Z: 13 8.925 1.705 0.497 0.553 0.917 0.833 CB 1.046 12 residues pruned to eliminate duplicates Z: 11 3.390 1.598 0.328 0.100 0.700 0.100 CB 1.202 11 residues pruned to eliminate duplicates Z: 15 4.452 1.555 0.248 0.268 0.786 0.429 CB 1.016 10 residues pruned to eliminate duplicates Z: 9 12.924 1.692 0.609 0.898 1.000 0.750 CB 1.201 9 residues pruned to eliminate duplicates Z: 6 4.280 1.523 0.241 0.477 1.000 0.600 CB 1.037 Z: 17 8.415 1.895 0.341 0.303 0.688 0.438 CB 1.501 17 residues pruned to eliminate duplicates Z: 6 4.388 1.762 0.286 0.606 1.000 0.800 N 0.783 Z: 12 7.977 1.685 0.228 0.518 0.909 0.545 CB 1.257 12 residues pruned to eliminate duplicates Z: 7 3.294 1.547 0.300 0.313 0.833 0.333 CB 0.986 Z: 8 9.604 1.771 0.519 0.651 0.857 0.714 CB 1.368 8 residues pruned to eliminate duplicates Z: 18 5.329 1.661 0.305 0.266 0.647 0.412 CA 1.203 18 residues pruned to eliminate duplicates 7 1.448 1.196 0.709 0.083 0.667 0.167 CA 0.744 ? Z: 18 11.273 1.839 0.402 0.461 0.882 0.706 CA 1.250 18 residues pruned to eliminate duplicates Z: 6 4.594 1.283 0.427 0.639 1.000 0.600 N 0.985 7 1.442 1.334 0.044 0.148 0.667 0.167 O 0.979 ? Z: 11 8.048 1.926 0.242 0.443 0.900 0.500 CA 1.253 17 residues pruned to eliminate duplicates Z: 46 28.432 2.060 0.585 0.534 0.956 0.689 CA 1.314 46 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 10 6.151 1.796 0.106 0.338 0.778 0.333 CB 1.583 7 residues pruned to eliminate duplicates Z: 6 5.021 1.746 0.199 0.432 1.000 0.800 O 1.151 5 residues pruned to eliminate duplicates Z: 8 7.758 1.862 0.014 0.692 1.000 0.857 N 1.303 8 residues pruned to eliminate duplicates Z: 6 11.873 2.002 0.453 0.598 1.000 0.800 CA 1.663 6 residues pruned to eliminate duplicates Z: 8 12.028 1.984 0.627 0.476 0.857 0.714 CA 1.683 8 residues pruned to eliminate duplicates Z: 8 7.604 1.972 0.244 0.466 0.714 0.714 CA 1.697 8 residues pruned to eliminate duplicates Z: 11 4.712 1.663 0.317 0.187 0.800 0.600 CB 1.238 7 residues pruned to eliminate duplicates Z: 6 2.611 1.373 0.348 0.312 1.000 0.600 CA 0.778 7 residues pruned to eliminate duplicates Z: 48 35.445 2.079 0.656 0.580 0.894 0.723 CA 1.557 48 residues pruned to eliminate duplicates Z: 16 6.677 1.583 0.267 0.258 0.933 0.333 CB 1.214 14 residues pruned to eliminate duplicates Z: 12 7.779 1.794 0.521 0.233 1.000 0.455 CB 1.173 13 residues pruned to eliminate duplicates Z: 11 7.751 1.752 0.454 0.380 1.000 0.500 CB 1.094 11 residues pruned to eliminate duplicates Z: 10 7.256 1.803 0.506 0.334 0.778 0.444 CB 1.374 10 residues pruned to eliminate duplicates Z: 13 4.738 1.634 0.359 0.203 1.000 0.417 CB 0.876 13 residues pruned to eliminate duplicates Z: 13 11.084 1.851 0.338 0.495 0.917 0.417 CA 1.416 13 residues pruned to eliminate duplicates Z: 13 11.406 1.848 0.370 0.563 0.833 0.583 CA 1.468 13 residues pruned to eliminate duplicates Z: 15 10.331 1.671 0.310 0.486 0.929 0.500 CA 1.378 15 residues pruned to eliminate duplicates Z: 14 9.880 1.775 0.225 0.475 0.923 0.615 CA 1.401 14 residues pruned to eliminate duplicates Z: 14 9.033 1.714 0.226 0.475 1.000 0.462 CA 1.223 14 residues pruned to eliminate duplicates Z: 14 8.631 1.778 0.263 0.437 0.846 0.462 CB 1.345 14 residues pruned to eliminate duplicates Z: 15 8.549 1.697 0.190 0.413 1.000 0.429 CB 1.239 15 residues pruned to eliminate duplicates Z: 10 7.774 1.867 0.256 0.473 0.889 0.444 CA 1.278 10 residues pruned to eliminate duplicates Z: 11 6.487 1.787 0.116 0.429 0.900 0.600 CA 1.231 11 residues pruned to eliminate duplicates Z: 12 6.695 1.780 0.125 0.453 0.909 0.545 CB 1.163 12 residues pruned to eliminate duplicates Z: 9 8.408 1.774 0.141 0.582 0.875 0.750 CB 1.550 9 residues pruned to eliminate duplicates Z: 7 11.664 1.963 0.205 0.842 1.000 0.833 CA 1.501 8 residues pruned to eliminate duplicates Z: 7 5.984 2.034 0.521 0.505 0.667 0.500 N 1.178 7 residues pruned to eliminate duplicates Z: 14 6.723 1.827 0.411 0.353 0.615 0.308 N 1.379 14 residues pruned to eliminate duplicates Z: 8 10.552 2.063 0.637 0.607 0.857 0.571 N 1.245 8 residues pruned to eliminate duplicates Z: 8 7.109 1.941 0.508 0.436 0.857 0.571 N 1.144 8 residues pruned to eliminate duplicates Z: 17 9.338 1.845 0.446 0.397 0.750 0.312 CB 1.301 17 residues pruned to eliminate duplicates Z: 13 12.598 1.729 0.685 0.441 0.917 0.417 N 1.446 8 residues pruned to eliminate duplicates Z: 11 11.015 1.875 0.667 0.406 0.800 0.500 CA 1.539 11 residues pruned to eliminate duplicates Z: 9 10.526 1.977 0.688 0.448 0.750 0.500 CA 1.568 9 residues pruned to eliminate duplicates Z: 11 10.596 1.819 0.877 0.374 0.700 0.600 CB 1.605 11 residues pruned to eliminate duplicates Z: 9 8.827 1.975 0.484 0.442 0.750 0.625 CA 1.508 9 residues pruned to eliminate duplicates Z: 30 13.024 1.918 0.293 0.445 0.828 0.621 CA 1.247 30 residues pruned to eliminate duplicates Z: 26 16.105 1.992 0.441 0.462 0.880 0.520 CB 1.325 26 residues pruned to eliminate duplicates Z: 23 12.734 1.890 0.337 0.440 0.955 0.500 CA 1.197 23 residues pruned to eliminate duplicates Z: 12 9.262 1.768 0.568 0.492 0.909 0.636 CA 1.117 12 residues pruned to eliminate duplicates Z: 12 10.649 1.876 0.609 0.561 0.909 0.545 CB 1.103 12 residues pruned to eliminate duplicates Z: 27 14.929 2.022 0.349 0.473 0.808 0.538 CB 1.366 27 residues pruned to eliminate duplicates Z: 20 13.222 1.858 0.440 0.459 0.947 0.579 CB 1.247 20 residues pruned to eliminate duplicates Z: 26 13.533 1.971 0.365 0.413 0.880 0.640 CB 1.253 26 residues pruned to eliminate duplicates Z: 31 13.608 1.871 0.192 0.412 0.900 0.400 CA 1.356 31 residues pruned to eliminate duplicates Z: 19 16.020 1.942 0.493 0.551 0.944 0.556 CB 1.312 19 residues pruned to eliminate duplicates Z: 10 10.697 2.143 0.203 0.566 1.000 0.667 CA 1.297 10 residues pruned to eliminate duplicates Z: 24 14.432 1.932 0.472 0.426 0.913 0.565 CA 1.251 24 residues pruned to eliminate duplicates Z: 13 11.452 1.985 0.330 0.465 0.917 0.667 CB 1.416 13 residues pruned to eliminate duplicates Z: 10 7.384 2.031 0.235 0.565 0.889 0.778 CB 1.036 10 residues pruned to eliminate duplicates Z: 18 12.223 2.045 0.329 0.457 0.824 0.588 CB 1.383 18 residues pruned to eliminate duplicates Z: 20 10.409 2.001 0.356 0.362 0.789 0.526 CB 1.294 20 residues pruned to eliminate duplicates Z: 20 10.030 1.897 0.255 0.505 0.789 0.526 CB 1.218 20 residues pruned to eliminate duplicates Z: 17 11.529 2.044 0.540 0.402 0.812 0.500 CB 1.250 17 residues pruned to eliminate duplicates Z: 22 20.473 2.028 0.759 0.510 0.952 0.667 CB 1.302 32 residues pruned to eliminate duplicates Z: 8 3.602 1.383 0.479 0.416 0.714 0.429 CA 1.017 8 residues pruned to eliminate duplicates Z: 31 14.255 1.909 0.554 0.369 0.800 0.500 CB 1.261 31 residues pruned to eliminate duplicates Z: 19 10.535 2.021 0.388 0.374 0.778 0.389 CB 1.303 19 residues pruned to eliminate duplicates Z: 19 10.030 2.032 0.300 0.350 0.778 0.444 CB 1.353 19 residues pruned to eliminate duplicates Z: 6 4.146 1.893 -0.159 0.485 0.800 0.400 CA 1.479 6 residues pruned to eliminate duplicates Z: 7 4.422 1.741 0.268 0.433 0.667 0.167 CA 1.315 7 residues pruned to eliminate duplicates Z: 41 18.507 1.920 0.226 0.383 0.900 0.350 CB 1.564 41 residues pruned to eliminate duplicates Z: 43 16.448 1.983 0.164 0.337 0.833 0.429 CB 1.577 43 residues pruned to eliminate duplicates Z: 41 18.645 2.013 0.211 0.352 0.925 0.475 CB 1.535 41 residues pruned to eliminate duplicates Z: 36 14.584 2.057 0.124 0.345 0.886 0.457 CB 1.425 36 residues pruned to eliminate duplicates Z: 55 23.909 1.963 0.283 0.412 0.889 0.481 CB 1.594 94 residues pruned to eliminate duplicates Z: 39 16.368 2.022 0.187 0.336 0.842 0.342 CB 1.571 Z: 7 6.116 1.886 0.258 0.438 0.833 0.667 CB 1.346 7 residues pruned to eliminate duplicates Z: 33 11.157 2.002 -0.021 0.239 0.875 0.375 CB 1.556 33 residues pruned to eliminate duplicates Z: 40 14.909 2.006 0.039 0.278 0.923 0.333 CB 1.595 40 residues pruned to eliminate duplicates Z: 16 15.188 2.043 0.487 0.444 0.933 0.800 CB 1.465 16 residues pruned to eliminate duplicates Z: 39 18.110 2.033 0.212 0.372 0.895 0.474 CB 1.528 43 residues pruned to eliminate duplicates Z: 33 18.830 2.005 0.257 0.394 0.938 0.562 CB 1.576 35 residues pruned to eliminate duplicates Z: 6 4.938 1.551 0.237 0.453 1.000 0.400 CA 1.208 6 residues pruned to eliminate duplicates Z: 41 16.241 1.959 0.232 0.316 0.875 0.400 CB 1.489 42 residues pruned to eliminate duplicates Z: 7 3.600 1.330 0.415 0.374 1.000 0.333 CB 0.893 7 residues pruned to eliminate duplicates Z: 19 12.269 2.078 0.514 0.348 0.722 0.389 CA 1.501 22 residues pruned to eliminate duplicates Z: 7 3.001 1.732 0.261 0.283 0.667 0.333 CA 1.074 7 residues pruned to eliminate duplicates Z: 19 13.679 2.025 0.356 0.446 0.889 0.333 CA 1.396 18 residues pruned to eliminate duplicates Z: 7 5.604 1.619 0.604 0.472 0.833 0.500 N 1.088 7 residues pruned to eliminate duplicates Z: 14 13.455 2.088 0.389 0.504 0.846 0.385 CA 1.515 14 residues pruned to eliminate duplicates Z: 20 11.371 1.942 0.349 0.350 0.842 0.368 CA 1.390 20 residues pruned to eliminate duplicates Z: 12 8.630 2.055 0.569 0.339 0.636 0.455 N 1.511 12 residues pruned to eliminate duplicates Z: 19 12.305 2.035 0.318 0.407 0.833 0.444 CA 1.431 19 residues pruned to eliminate duplicates Z: 14 12.060 2.048 0.353 0.509 0.846 0.308 CA 1.414 14 residues pruned to eliminate duplicates Z: 20 9.535 1.985 0.325 0.376 0.684 0.421 CB 1.388 20 residues pruned to eliminate duplicates Z: 10 8.032 1.838 0.355 0.408 1.000 0.222 CB 1.184 10 residues pruned to eliminate duplicates Z: 20 14.830 1.999 0.428 0.479 0.842 0.368 CA 1.445 20 residues pruned to eliminate duplicates Z: 7 2.531 1.523 0.271 0.439 0.667 0.500 N 0.852 7 residues pruned to eliminate duplicates Z: 6 3.270 1.590 0.057 0.404 0.800 0.400 CB 1.202 Z: 6 2.214 1.522 0.486 0.263 0.800 0.000 CA 0.717 Z: 6 4.528 1.385 0.841 0.264 1.000 0.600 CA 1.039 Z: 7 6.928 1.725 0.386 0.426 1.000 0.833 CA 1.278 Z: 9 6.451 1.647 0.692 0.458 1.000 0.375 CA 0.854 9 residues pruned to eliminate duplicates Z: 45 22.106 1.960 0.410 0.409 0.909 0.477 CA 1.459 45 residues pruned to eliminate duplicates Z: 38 22.561 2.087 0.549 0.428 0.865 0.514 CA 1.430 38 residues pruned to eliminate duplicates Z: 25 15.395 1.951 0.558 0.387 0.958 0.417 CB 1.217 28 residues pruned to eliminate duplicates Z: 6 5.823 1.824 0.376 0.428 1.000 0.600 CA 1.119 6 residues pruned to eliminate duplicates Z: 18 12.443 2.002 0.540 0.344 0.882 0.471 CA 1.315 18 residues pruned to eliminate duplicates Z: 38 25.599 2.098 0.530 0.478 0.865 0.541 CB 1.550 38 residues pruned to eliminate duplicates Z: 7 6.016 1.784 0.602 0.304 0.833 0.667 CA 1.283 7 residues pruned to eliminate duplicates Z: 38 25.450 2.110 0.522 0.462 0.892 0.541 CA 1.519 38 residues pruned to eliminate duplicates Z: 38 25.100 2.076 0.537 0.482 0.919 0.568 CA 1.432 38 residues pruned to eliminate duplicates Z: 39 23.976 2.057 0.538 0.455 0.895 0.526 CA 1.439 39 residues pruned to eliminate duplicates Z: 28 18.296 2.049 0.480 0.423 0.889 0.593 CA 1.415 28 residues pruned to eliminate duplicates Z: 40 24.510 2.049 0.568 0.462 0.872 0.487 CA 1.457 40 residues pruned to eliminate duplicates Z: 39 22.060 2.061 0.512 0.454 0.842 0.605 CA 1.429 39 residues pruned to eliminate duplicates Z: 38 23.431 2.088 0.460 0.436 0.892 0.459 CA 1.513 38 residues pruned to eliminate duplicates Z: 40 25.537 2.034 0.641 0.486 0.923 0.590 CA 1.346 40 residues pruned to eliminate duplicates Z: 28 17.507 2.035 0.468 0.424 0.889 0.704 CA 1.374 28 residues pruned to eliminate duplicates Z: 41 21.935 1.993 0.543 0.475 0.850 0.625 CA 1.361 41 residues pruned to eliminate duplicates Z: 42 23.736 1.971 0.528 0.483 0.902 0.561 CA 1.387 42 residues pruned to eliminate duplicates Z: 39 25.105 2.066 0.466 0.493 0.921 0.553 CA 1.471 39 residues pruned to eliminate duplicates Z: 38 27.039 2.109 0.546 0.493 0.892 0.622 CA 1.540 38 residues pruned to eliminate duplicates Z: 6 4.820 1.820 0.350 0.409 1.000 0.800 CA 0.965 6 residues pruned to eliminate duplicates Z: 41 24.411 2.047 0.610 0.484 0.825 0.550 CA 1.443 41 residues pruned to eliminate duplicates Z: 38 23.612 2.103 0.512 0.492 0.838 0.622 CA 1.468 38 residues pruned to eliminate duplicates Z: 37 24.207 2.087 0.655 0.476 0.833 0.500 CA 1.437 37 residues pruned to eliminate duplicates Z: 38 27.239 2.103 0.537 0.530 0.946 0.676 CA 1.422 38 residues pruned to eliminate duplicates Z: 40 23.839 2.025 0.495 0.513 0.923 0.564 CA 1.349 40 residues pruned to eliminate duplicates Z: 39 23.453 2.055 0.572 0.470 0.868 0.579 CA 1.399 39 residues pruned to eliminate duplicates Z: 39 22.835 2.078 0.492 0.474 0.895 0.526 CA 1.371 39 residues pruned to eliminate duplicates Z: 37 20.868 2.094 0.418 0.451 0.889 0.667 CA 1.386 37 residues pruned to eliminate duplicates Z: 11 12.125 1.861 0.809 0.499 0.900 0.400 CB 1.268 11 residues pruned to eliminate duplicates Z: 8 9.860 1.714 0.526 0.651 0.857 0.429 CA 1.445 8 residues pruned to eliminate duplicates Z: 7 9.788 1.683 0.558 0.663 1.000 0.500 CA 1.311 7 residues pruned to eliminate duplicates Z: 11 8.139 1.760 0.642 0.290 0.900 0.400 CB 1.252 11 residues pruned to eliminate duplicates Z: 11 13.635 1.858 0.688 0.476 1.000 0.400 CA 1.409 11 residues pruned to eliminate duplicates Z: 8 8.949 1.748 0.885 0.333 1.000 0.714 CA 1.232 8 residues pruned to eliminate duplicates Z: 6 9.817 1.973 1.193 0.474 1.000 0.800 CA 1.042 6 residues pruned to eliminate duplicates Z: 9 7.631 1.803 0.894 0.403 0.750 0.500 CA 1.167 9 residues pruned to eliminate duplicates Z: 12 6.423 1.807 0.555 0.316 0.818 0.545 CB 1.032 13 residues pruned to eliminate duplicates Z: 6 5.053 1.757 0.647 0.473 0.800 0.600 CA 1.004 6 residues pruned to eliminate duplicates Z: 46 17.056 1.963 0.627 0.310 0.822 0.422 CB 1.195 43 residues pruned to eliminate duplicates Z: 9 5.426 1.698 0.627 0.417 0.625 0.125 CA 1.211 9 residues pruned to eliminate duplicates Z: 28 14.646 2.086 0.593 0.349 0.741 0.444 CB 1.349 33 residues pruned to eliminate duplicates Z: 6 2.640 1.623 -0.121 0.307 1.000 0.800 N 1.026 6 residues pruned to eliminate duplicates Z: 22 10.301 2.127 0.338 0.391 0.714 0.524 CB 1.241 22 residues pruned to eliminate duplicates Z: 36 12.642 2.026 0.433 0.319 0.743 0.400 CB 1.210 36 residues pruned to eliminate duplicates Z: 19 11.194 2.109 0.353 0.426 0.722 0.500 CB 1.382 19 residues pruned to eliminate duplicates Z: 17 16.024 2.160 0.498 0.461 0.812 0.625 CB 1.587 17 residues pruned to eliminate duplicates Z: 27 15.169 2.062 0.552 0.404 0.846 0.423 CB 1.215 27 residues pruned to eliminate duplicates Z: 13 8.262 2.064 0.337 0.344 0.833 0.333 CB 1.229 13 residues pruned to eliminate duplicates Z: 11 4.563 1.644 0.349 0.361 0.900 0.500 CB 0.840 11 residues pruned to eliminate duplicates Z: 11 6.958 2.066 0.310 0.399 0.800 0.400 CB 1.131 11 residues pruned to eliminate duplicates Z: 8 7.240 1.895 0.261 0.552 1.000 0.286 CB 1.089 8 residues pruned to eliminate duplicates Z: 9 7.910 2.135 0.193 0.387 1.000 0.500 CB 1.237 9 residues pruned to eliminate duplicates Z: 14 8.877 1.958 0.401 0.393 0.769 0.538 CB 1.307 14 residues pruned to eliminate duplicates Z: 21 10.436 1.953 0.198 0.329 0.850 0.200 CB 1.415 21 residues pruned to eliminate duplicates Z: 17 8.638 1.777 0.513 0.366 0.812 0.375 CB 1.141 17 residues pruned to eliminate duplicates Z: 17 8.820 1.809 0.323 0.274 0.875 0.250 CA 1.359 17 residues pruned to eliminate duplicates Z: 6 4.368 1.535 0.569 0.557 0.800 0.600 CA 0.959 6 residues pruned to eliminate duplicates Z: 24 11.282 1.979 0.426 0.304 0.739 0.391 CA 1.402 29 residues pruned to eliminate duplicates Z: 6 4.395 1.506 0.533 0.566 0.800 0.200 CA 0.998 6 residues pruned to eliminate duplicates Z: 18 10.663 2.060 0.365 0.337 0.765 0.471 CB 1.438 18 residues pruned to eliminate duplicates Z: 15 12.640 2.118 0.410 0.391 0.857 0.500 CB 1.480 15 residues pruned to eliminate duplicates Z: 15 6.305 1.672 0.217 0.409 0.786 0.500 CB 1.159 15 residues pruned to eliminate duplicates Z: 14 5.851 1.712 0.000 0.488 0.846 0.308 CB 1.134 14 residues pruned to eliminate duplicates Z: 19 7.865 1.655 0.351 0.482 0.778 0.389 CB 1.085 17 residues pruned to eliminate duplicates Z: 7 7.797 1.871 0.545 0.764 0.833 0.667 CB 1.045 7 residues pruned to eliminate duplicates Z: 17 9.986 1.810 0.147 0.559 0.938 0.562 CB 1.211 19 residues pruned to eliminate duplicates Z: 7 6.223 1.913 0.160 0.623 1.000 0.667 CA 1.020 7 residues pruned to eliminate duplicates Z: 16 8.113 1.837 0.016 0.555 0.933 0.600 CB 1.140 16 residues pruned to eliminate duplicates Z: 13 13.088 1.960 0.508 0.591 1.000 0.667 CB 1.172 13 residues pruned to eliminate duplicates Z: 7 4.753 1.760 0.522 0.759 0.833 0.833 CB 0.690 7 residues pruned to eliminate duplicates Z: 17 10.402 1.818 0.391 0.574 0.875 0.562 CB 1.095 17 residues pruned to eliminate duplicates Z: 9 10.401 2.021 0.381 0.460 1.000 0.500 CB 1.373 9 residues pruned to eliminate duplicates Z: 9 12.150 2.025 0.366 0.488 1.000 0.500 CB 1.572 9 residues pruned to eliminate duplicates Z: 9 6.440 1.839 0.286 0.259 0.875 0.250 N 1.450 9 residues pruned to eliminate duplicates Z: 15 10.533 1.904 0.355 0.493 0.857 0.429 CB 1.282 15 residues pruned to eliminate duplicates Z: 10 13.437 2.017 0.576 0.441 1.000 0.444 CB 1.498 10 residues pruned to eliminate duplicates Z: 7 6.030 2.035 0.351 0.237 0.833 0.500 CB 1.459 9 residues pruned to eliminate duplicates Z: 7 7.283 2.082 0.460 0.388 0.833 0.333 CA 1.322 7 residues pruned to eliminate duplicates Z: 7 4.654 1.755 0.546 0.257 0.667 0.000 CB 1.389 7 residues pruned to eliminate duplicates Z: 11 10.628 2.068 0.455 0.455 0.900 0.600 CA 1.299 11 residues pruned to eliminate duplicates Z: 6 4.688 1.656 0.613 0.250 0.800 0.400 C 1.309 6 residues pruned to eliminate duplicates Z: 25 16.127 2.035 0.467 0.410 0.833 0.542 CB 1.454 25 residues pruned to eliminate duplicates Z: 15 11.592 1.969 0.562 0.309 0.857 0.357 CA 1.452 15 residues pruned to eliminate duplicates Z: 15 10.821 1.959 0.604 0.258 0.929 0.357 CA 1.307 15 residues pruned to eliminate duplicates Z: 15 10.840 1.956 0.729 0.295 0.786 0.357 CA 1.373 15 residues pruned to eliminate duplicates Z: 24 18.737 2.068 0.652 0.358 0.913 0.565 CA 1.460 24 residues pruned to eliminate duplicates Z: 11 9.594 1.935 0.592 0.318 0.800 0.200 CA 1.504 11 residues pruned to eliminate duplicates Z: 24 19.444 2.104 0.628 0.394 0.870 0.609 CA 1.523 24 residues pruned to eliminate duplicates Z: 21 18.937 2.032 0.622 0.403 0.900 0.450 CA 1.580 21 residues pruned to eliminate duplicates Z: 24 18.084 2.077 0.578 0.392 0.913 0.478 CA 1.413 24 residues pruned to eliminate duplicates Z: 24 18.130 2.040 0.593 0.398 0.870 0.609 CA 1.489 23 residues pruned to eliminate duplicates Z: 6 4.691 1.777 0.192 0.398 1.000 0.200 CB 1.103 6 residues pruned to eliminate duplicates Z: 28 14.155 1.957 0.319 0.335 0.889 0.556 CA 1.421 28 residues pruned to eliminate duplicates Z: 23 15.542 1.919 0.329 0.385 0.955 0.591 CA 1.537 23 residues pruned to eliminate duplicates Z: 24 17.457 2.094 0.455 0.377 0.913 0.565 CA 1.492 24 residues pruned to eliminate duplicates Z: 29 17.547 1.931 0.496 0.358 0.929 0.500 CA 1.442 29 residues pruned to eliminate duplicates Z: 13 12.770 2.048 0.353 0.410 0.917 0.583 CB 1.594 13 residues pruned to eliminate duplicates Z: 12 10.671 1.868 0.356 0.680 0.818 0.455 CA 1.315 12 residues pruned to eliminate duplicates Z: 14 12.544 1.769 0.789 0.562 0.923 0.231 CA 1.121 14 residues pruned to eliminate duplicates Z: 12 13.759 1.876 0.565 0.655 0.909 0.545 CA 1.346 12 residues pruned to eliminate duplicates Z: 34 17.610 1.930 0.578 0.397 0.879 0.485 CA 1.277 30 residues pruned to eliminate duplicates Z: 10 13.326 1.887 0.601 0.827 0.889 0.444 CB 1.246 10 residues pruned to eliminate duplicates Z: 15 14.030 1.804 0.800 0.459 0.929 0.429 CB 1.296 15 residues pruned to eliminate duplicates Z: 16 9.572 1.803 0.914 0.386 0.667 0.333 CA 1.211 16 residues pruned to eliminate duplicates Z: 28 18.200 2.022 0.456 0.446 0.889 0.444 CA 1.414 28 residues pruned to eliminate duplicates Z: 30 22.792 2.021 0.489 0.482 0.966 0.621 CA 1.483 30 residues pruned to eliminate duplicates Z: 32 21.892 2.015 0.573 0.433 0.968 0.516 CA 1.374 32 residues pruned to eliminate duplicates Z: 40 17.841 1.979 0.462 0.406 0.769 0.513 CA 1.416 40 residues pruned to eliminate duplicates Z: 40 23.979 2.037 0.544 0.444 0.949 0.564 CA 1.363 40 residues pruned to eliminate duplicates Z: 31 17.227 2.012 0.600 0.381 0.900 0.400 CA 1.232 31 residues pruned to eliminate duplicates Z: 56 35.875 2.048 0.648 0.593 0.873 0.673 CA 1.503 56 residues pruned to eliminate duplicates Z: 29 16.843 1.964 0.601 0.396 0.857 0.464 CA 1.318 29 residues pruned to eliminate duplicates Z: 32 18.963 1.991 0.455 0.394 0.871 0.387 CA 1.510 32 residues pruned to eliminate duplicates Z: 6 5.335 1.669 0.722 0.380 1.000 0.600 CA 0.943 6 residues pruned to eliminate duplicates Z: 61 36.997 2.073 0.556 0.594 0.917 0.633 CA 1.476 61 residues pruned to eliminate duplicates Z: 11 9.726 1.908 0.890 0.368 0.800 0.400 CA 1.228 11 residues pruned to eliminate duplicates Z: 64 35.503 2.065 0.617 0.551 0.873 0.635 CA 1.460 64 residues pruned to eliminate duplicates Z: 21 15.948 2.040 0.659 0.387 0.850 0.550 CA 1.398 21 residues pruned to eliminate duplicates Z: 29 34.045 2.170 0.639 0.683 0.964 0.750 CA 1.586 29 residues pruned to eliminate duplicates Z: 34 34.128 2.070 0.542 0.736 0.970 0.818 CA 1.554 34 residues pruned to eliminate duplicates Z: 35 40.238 2.143 0.730 0.682 0.971 0.706 CA 1.622 35 residues pruned to eliminate duplicates Z: 9 12.548 1.969 0.717 0.583 0.875 0.750 N 1.384 9 residues pruned to eliminate duplicates Z: 41 34.961 2.107 0.570 0.666 0.925 0.750 CA 1.549 41 residues pruned to eliminate duplicates Z: 35 34.603 2.076 0.549 0.715 0.941 0.794 CA 1.614 35 residues pruned to eliminate duplicates Z: 40 26.250 1.971 0.398 0.600 0.872 0.718 CA 1.590 40 residues pruned to eliminate duplicates Z: 38 33.697 2.068 0.608 0.652 0.919 0.703 CA 1.574 38 residues pruned to eliminate duplicates Z: 63 37.950 2.093 0.592 0.556 0.919 0.597 CA 1.490 63 residues pruned to eliminate duplicates Z: 65 39.546 2.037 0.678 0.561 0.953 0.531 CA 1.430 65 residues pruned to eliminate duplicates Z: 38 38.206 2.019 0.701 0.708 0.946 0.676 CA 1.602 38 residues pruned to eliminate duplicates Z: 38 36.424 2.061 0.665 0.638 0.973 0.649 CA 1.576 38 residues pruned to eliminate duplicates Z: 32 36.997 2.113 0.550 0.767 1.000 0.645 CA 1.601 32 residues pruned to eliminate duplicates Z: 36 35.735 2.117 0.658 0.682 0.914 0.686 CA 1.593 36 residues pruned to eliminate duplicates Z: 37 35.836 2.016 0.724 0.700 0.972 0.639 CA 1.473 37 residues pruned to eliminate duplicates Z: 37 36.624 2.027 0.710 0.681 0.917 0.694 CA 1.628 37 residues pruned to eliminate duplicates Z: 25 34.885 2.059 0.721 0.790 0.917 0.583 CB 1.699 25 residues pruned to eliminate duplicates Z: 36 40.009 2.051 0.758 0.687 0.943 0.629 CA 1.675 36 residues pruned to eliminate duplicates Z: 40 27.169 2.047 0.623 0.536 0.846 0.436 CA 1.493 40 residues pruned to eliminate duplicates Z: 43 48.199 2.099 0.884 0.702 0.952 0.595 CA 1.643 41 residues pruned to eliminate duplicates Z: 22 42.935 2.158 0.735 0.895 1.000 0.571 CB 1.793 22 residues pruned to eliminate duplicates Z: 25 36.226 2.089 0.829 0.770 0.917 0.583 CB 1.663 25 residues pruned to eliminate duplicates Z: 37 42.278 2.124 0.960 0.695 0.833 0.500 CA 1.700 39 residues pruned to eliminate duplicates Z: 12 28.066 2.132 0.725 0.858 0.909 0.455 CB 1.864 12 residues pruned to eliminate duplicates Z: 38 38.568 2.103 0.819 0.647 0.892 0.486 CA 1.621 38 residues pruned to eliminate duplicates Z: 34 42.005 2.154 0.795 0.735 0.909 0.636 CA 1.684 34 residues pruned to eliminate duplicates Z: 38 32.769 2.083 0.648 0.624 0.838 0.405 CA 1.667 38 residues pruned to eliminate duplicates Z: 65 36.411 2.018 0.671 0.550 0.875 0.438 CA 1.470 65 residues pruned to eliminate duplicates Z: 63 38.447 2.050 0.636 0.567 0.919 0.484 CA 1.483 63 residues pruned to eliminate duplicates Z: 35 44.171 2.109 0.860 0.720 0.971 0.588 CA 1.631 35 residues pruned to eliminate duplicates Z: 62 39.952 2.085 0.713 0.558 0.902 0.508 CA 1.500 62 residues pruned to eliminate duplicates Z: 7 5.187 1.773 0.467 0.366 0.667 0.667 CA 1.410 Z: 6 4.132 1.245 0.542 0.634 1.000 0.600 CA 0.848 Z: 22 36.529 2.269 0.616 0.853 1.000 0.857 CA 1.607 22 residues pruned to eliminate duplicates Z: 44 44.043 2.247 0.635 0.660 1.000 0.721 CA 1.575 44 residues pruned to eliminate duplicates Z: 45 36.561 2.186 0.460 0.618 0.977 0.636 CA 1.581 45 residues pruned to eliminate duplicates Z: 54 43.381 2.182 0.607 0.588 0.962 0.585 CB 1.623 54 residues pruned to eliminate duplicates Z: 54 41.209 2.204 0.532 0.595 0.943 0.623 CA 1.623 54 residues pruned to eliminate duplicates Z: 46 38.291 2.121 0.551 0.662 0.933 0.622 CB 1.599 48 residues pruned to eliminate duplicates Z: 19 28.331 2.203 0.562 0.864 0.944 0.611 CA 1.506 19 residues pruned to eliminate duplicates Z: 73 45.198 2.188 0.604 0.550 0.931 0.528 CB 1.554 73 residues pruned to eliminate duplicates Z: 57 40.697 2.160 0.599 0.585 0.929 0.482 CB 1.563 57 residues pruned to eliminate duplicates Z: 69 44.293 2.164 0.673 0.535 0.926 0.574 CB 1.547 69 residues pruned to eliminate duplicates Z: 45 43.464 2.213 0.721 0.642 0.955 0.568 CA 1.578 45 residues pruned to eliminate duplicates Z: 21 36.977 2.200 0.731 0.852 1.000 0.450 CA 1.605 21 residues pruned to eliminate duplicates Z: 46 36.432 2.154 0.529 0.645 0.956 0.556 CA 1.507 46 residues pruned to eliminate duplicates Z: 34 33.968 2.154 0.678 0.614 0.909 0.515 CA 1.616 34 residues pruned to eliminate duplicates Z: 62 46.777 2.199 0.727 0.578 0.902 0.492 CB 1.624 62 residues pruned to eliminate duplicates Z: 66 46.920 2.164 0.680 0.572 0.938 0.569 CA 1.591 66 residues pruned to eliminate duplicates Z: 22 38.525 2.182 0.914 0.821 0.952 0.714 CA 1.600 22 residues pruned to eliminate duplicates Z: 41 40.418 2.201 0.596 0.706 0.950 0.575 CB 1.589 41 residues pruned to eliminate duplicates Z: 53 45.935 2.188 0.716 0.624 0.962 0.462 CA 1.570 53 residues pruned to eliminate duplicates Z: 63 45.663 2.191 0.590 0.568 0.952 0.484 CA 1.638 63 residues pruned to eliminate duplicates Z: 54 46.713 2.189 0.710 0.621 0.962 0.547 CA 1.590 54 residues pruned to eliminate duplicates Z: 44 43.556 2.203 0.643 0.679 1.000 0.512 CA 1.556 44 residues pruned to eliminate duplicates Z: 63 38.245 2.188 0.475 0.544 0.919 0.532 CA 1.568 53 residues pruned to eliminate duplicates Z: 15 19.279 2.156 0.438 0.696 0.929 0.571 CB 1.496 15 residues pruned to eliminate duplicates Z: 56 45.107 2.185 0.750 0.615 0.909 0.564 CB 1.569 56 residues pruned to eliminate duplicates Z: 32 23.523 2.165 0.496 0.491 0.903 0.581 CB 1.457 32 residues pruned to eliminate duplicates Z: 51 45.619 2.146 0.659 0.616 0.940 0.440 CB 1.727 51 residues pruned to eliminate duplicates Z: 46 42.434 2.155 0.655 0.679 1.000 0.667 CA 1.504 46 residues pruned to eliminate duplicates Z: 65 49.345 2.205 0.703 0.573 0.938 0.562 CB 1.633 65 residues pruned to eliminate duplicates Z: 73 47.772 2.155 0.802 0.515 0.903 0.556 CA 1.582 73 residues pruned to eliminate duplicates Z: 52 44.690 2.225 0.666 0.610 0.922 0.529 CB 1.650 52 residues pruned to eliminate duplicates Z: 47 41.307 2.188 0.703 0.603 0.913 0.457 CB 1.623 47 residues pruned to eliminate duplicates Z: 55 44.997 2.191 0.663 0.593 0.981 0.444 CB 1.566 55 residues pruned to eliminate duplicates Z: 52 34.978 2.171 0.541 0.598 0.882 0.529 CB 1.512 52 residues pruned to eliminate duplicates Z: 64 49.041 2.209 0.699 0.603 0.937 0.540 CB 1.594 64 residues pruned to eliminate duplicates Z: 63 48.904 2.199 0.665 0.579 0.952 0.484 CA 1.652 63 residues pruned to eliminate duplicates Z: 67 47.846 2.157 0.714 0.575 0.939 0.530 CB 1.577 67 residues pruned to eliminate duplicates Z: 56 42.012 2.179 0.584 0.600 0.945 0.491 CA 1.578 56 residues pruned to eliminate duplicates Z: 65 40.541 2.147 0.674 0.535 0.906 0.469 CA 1.504 65 residues pruned to eliminate duplicates Z: 51 39.601 2.164 0.646 0.592 0.900 0.480 CB 1.600 51 residues pruned to eliminate duplicates Z: 48 28.610 2.128 0.694 0.406 0.872 0.447 CB 1.465 48 residues pruned to eliminate duplicates Z: 75 49.401 2.168 0.696 0.549 0.946 0.527 CA 1.574 75 residues pruned to eliminate duplicates Z: 12 13.625 2.186 0.825 0.300 1.000 0.636 CA 1.287 12 residues pruned to eliminate duplicates Z: 22 27.111 2.231 0.897 0.435 0.952 0.667 CB 1.569 22 residues pruned to eliminate duplicates Z: 63 44.534 2.163 0.710 0.517 0.935 0.403 CB 1.608 63 residues pruned to eliminate duplicates Z: 30 20.092 2.144 0.648 0.333 0.862 0.448 CB 1.470 30 residues pruned to eliminate duplicates Z: 23 21.868 2.191 0.714 0.388 0.909 0.591 CA 1.538 23 residues pruned to eliminate duplicates Z: 24 16.330 2.056 0.791 0.302 0.826 0.522 CB 1.395 24 residues pruned to eliminate duplicates Z: 24 19.944 2.186 0.710 0.352 0.870 0.565 CB 1.502 24 residues pruned to eliminate duplicates Z: 73 51.780 2.212 0.750 0.546 0.917 0.431 CA 1.645 73 residues pruned to eliminate duplicates Z: 71 46.378 2.202 0.715 0.510 0.886 0.471 CB 1.641 71 residues pruned to eliminate duplicates Z: 22 15.400 2.174 0.594 0.337 0.762 0.476 CA 1.521 22 residues pruned to eliminate duplicates Z: 24 21.080 2.167 0.796 0.353 0.870 0.565 CB 1.522 24 residues pruned to eliminate duplicates Z: 73 52.703 2.210 0.813 0.558 0.903 0.569 CA 1.623 73 residues pruned to eliminate duplicates Z: 12 15.366 2.233 0.651 0.512 0.818 0.727 CA 1.517 12 residues pruned to eliminate duplicates Z: 23 16.758 2.172 0.719 0.376 0.773 0.500 CA 1.414 23 residues pruned to eliminate duplicates Z: 24 17.025 2.033 0.729 0.344 0.870 0.609 CB 1.376 24 residues pruned to eliminate duplicates Z: 22 17.311 2.183 0.738 0.285 0.857 0.524 CA 1.479 22 residues pruned to eliminate duplicates Z: 73 52.430 2.212 0.761 0.525 0.958 0.542 CA 1.615 73 residues pruned to eliminate duplicates Z: 72 49.878 2.212 0.827 0.530 0.901 0.507 CA 1.577 72 residues pruned to eliminate duplicates Z: 12 17.787 2.161 0.682 0.562 0.909 0.636 CA 1.528 12 residues pruned to eliminate duplicates Z: 22 16.957 2.207 0.665 0.320 0.857 0.476 CA 1.433 22 residues pruned to eliminate duplicates Z: 73 43.174 2.105 0.717 0.468 0.889 0.458 CB 1.636 73 residues pruned to eliminate duplicates Z: 44 30.851 2.117 0.327 0.594 0.953 0.651 CA 1.604 44 residues pruned to eliminate duplicates Z: 58 31.501 2.075 0.378 0.527 0.912 0.561 CB 1.558 56 residues pruned to eliminate duplicates Z: 6 4.522 1.686 0.335 0.323 0.800 0.200 CB 1.365 6 residues pruned to eliminate duplicates Z: 63 33.635 2.092 0.419 0.503 0.919 0.548 CA 1.560 63 residues pruned to eliminate duplicates Z: 43 21.286 1.966 0.253 0.573 0.857 0.690 CB 1.450 43 residues pruned to eliminate duplicates Z: 39 25.353 2.116 0.503 0.446 0.895 0.632 CA 1.528 39 residues pruned to eliminate duplicates Z: 38 24.747 2.117 0.609 0.408 0.865 0.568 CA 1.522 38 residues pruned to eliminate duplicates Z: 20 21.914 2.172 0.133 0.725 0.947 0.737 CA 1.760 20 residues pruned to eliminate duplicates Z: 18 15.844 2.004 0.455 0.456 0.824 0.471 N 1.674 18 residues pruned to eliminate duplicates Z: 15 15.729 2.234 0.110 0.682 0.857 0.786 CB 1.673 15 residues pruned to eliminate duplicates Z: 28 23.018 2.150 0.309 0.656 0.852 0.704 CB 1.599 28 residues pruned to eliminate duplicates Z: 65 34.123 2.136 0.478 0.473 0.938 0.547 CB 1.482 65 residues pruned to eliminate duplicates Z: 57 30.171 2.059 0.374 0.539 0.893 0.589 CB 1.536 57 residues pruned to eliminate duplicates Z: 60 30.881 2.114 0.477 0.453 0.847 0.576 CB 1.594 60 residues pruned to eliminate duplicates Z: 39 26.240 2.113 0.326 0.627 0.868 0.605 CB 1.553 39 residues pruned to eliminate duplicates Z: 44 26.053 2.022 0.387 0.601 0.860 0.535 CB 1.496 44 residues pruned to eliminate duplicates Z: 36 24.771 2.010 0.441 0.654 0.857 0.600 CB 1.462 36 residues pruned to eliminate duplicates Z: 42 29.965 2.027 0.606 0.602 0.854 0.561 CB 1.528 42 residues pruned to eliminate duplicates Z: 58 37.735 2.072 0.619 0.549 0.930 0.526 CB 1.528 58 residues pruned to eliminate duplicates Z: 41 32.390 2.048 0.691 0.613 0.900 0.600 CB 1.476 41 residues pruned to eliminate duplicates Z: 53 38.504 2.130 0.659 0.536 0.923 0.596 CB 1.579 64 residues pruned to eliminate duplicates Z: 18 28.772 2.257 0.676 0.884 0.941 0.647 CB 1.417 18 residues pruned to eliminate duplicates Z: 39 31.034 2.044 0.736 0.612 0.868 0.526 CB 1.469 31 residues pruned to eliminate duplicates Z: 7 2.151 1.223 0.617 0.333 0.833 0.333 CB 0.640 7 residues pruned to eliminate duplicates Z: 35 27.152 2.103 0.500 0.662 0.971 0.706 CA 1.309 35 residues pruned to eliminate duplicates Z: 21 15.204 2.154 0.230 0.443 0.950 0.650 CA 1.431 21 residues pruned to eliminate duplicates Z: 32 27.815 2.136 0.504 0.655 0.968 0.742 CA 1.392 32 residues pruned to eliminate duplicates Z: 9 6.647 2.109 0.401 0.386 0.750 0.250 CB 1.197 9 residues pruned to eliminate duplicates Z: 29 22.619 2.120 0.458 0.635 0.929 0.679 CA 1.312 29 residues pruned to eliminate duplicates Z: 8 8.629 2.263 0.477 0.478 1.000 0.429 CB 0.998 10 residues pruned to eliminate duplicates Z: 6 3.614 1.614 0.533 0.347 0.800 0.200 CA 0.964 6 residues pruned to eliminate duplicates Z: 25 17.397 1.978 0.560 0.517 0.875 0.542 CB 1.294 25 residues pruned to eliminate duplicates Z: 35 27.190 2.035 0.534 0.651 0.941 0.735 CA 1.379 35 residues pruned to eliminate duplicates Z: 33 26.669 2.027 0.486 0.695 1.000 0.781 CA 1.310 33 residues pruned to eliminate duplicates Z: 20 17.021 2.106 0.569 0.511 0.947 0.737 CB 1.233 20 residues pruned to eliminate duplicates Z: 17 11.097 1.967 0.528 0.378 0.812 0.625 CA 1.294 17 residues pruned to eliminate duplicates Z: 42 23.660 1.903 0.427 0.648 0.927 0.732 CB 1.279 42 residues pruned to eliminate duplicates Z: 36 27.475 2.102 0.463 0.677 0.943 0.800 CA 1.360 36 residues pruned to eliminate duplicates Z: 18 16.100 2.016 0.334 0.894 0.941 0.882 CA 1.107 18 residues pruned to eliminate duplicates Z: 34 21.384 1.967 0.276 0.620 0.970 0.758 CA 1.366 34 residues pruned to eliminate duplicates Z: 16 22.918 2.145 0.562 0.853 1.000 0.667 CA 1.305 16 residues pruned to eliminate duplicates Z: 51 36.101 2.107 0.518 0.657 0.960 0.680 CB 1.437 51 residues pruned to eliminate duplicates Z: 30 24.980 2.065 0.408 0.680 1.000 0.724 CA 1.353 30 residues pruned to eliminate duplicates Z: 18 19.451 2.056 0.418 0.803 0.941 0.471 CA 1.320 18 residues pruned to eliminate duplicates Z: 44 23.177 1.970 0.406 0.590 0.930 0.628 CB 1.259 44 residues pruned to eliminate duplicates Z: 18 18.251 2.069 0.511 0.806 0.941 0.353 CA 1.152 18 residues pruned to eliminate duplicates Z: 36 27.422 2.017 0.600 0.667 0.971 0.657 CB 1.268 35 residues pruned to eliminate duplicates Z: 20 24.619 2.049 0.550 0.898 1.000 0.684 CA 1.272 20 residues pruned to eliminate duplicates Z: 67 42.694 2.068 0.605 0.585 0.970 0.591 CB 1.505 66 residues pruned to eliminate duplicates Z: 19 26.710 2.048 0.756 0.880 1.000 0.444 CA 1.269 19 residues pruned to eliminate duplicates Z: 33 35.289 2.087 0.589 0.793 1.000 0.688 CB 1.455 33 residues pruned to eliminate duplicates Z: 64 41.502 2.080 0.580 0.612 0.937 0.540 CA 1.527 64 residues pruned to eliminate duplicates Z: 39 31.065 2.051 0.637 0.661 0.947 0.684 CB 1.364 39 residues pruned to eliminate duplicates Z: 29 17.774 1.889 0.582 0.589 0.786 0.429 CA 1.314 29 residues pruned to eliminate duplicates Z: 59 36.148 2.037 0.707 0.626 0.897 0.466 CB 1.352 59 residues pruned to eliminate duplicates Z: 49 29.505 2.045 0.481 0.504 0.958 0.667 CB 1.461 49 residues pruned to eliminate duplicates Z: 26 16.086 1.931 0.386 0.514 0.880 0.600 CB 1.348 26 residues pruned to eliminate duplicates Z: 18 14.973 1.999 0.412 0.615 1.000 0.647 CB 1.153 18 residues pruned to eliminate duplicates Z: 48 31.032 2.069 0.542 0.514 0.979 0.553 CB 1.430 48 residues pruned to eliminate duplicates Z: 27 18.706 1.977 0.462 0.605 0.923 0.538 CB 1.245 27 residues pruned to eliminate duplicates Z: 28 21.294 2.103 0.396 0.530 0.963 0.556 CB 1.407 28 residues pruned to eliminate duplicates Z: 39 25.437 1.971 0.481 0.643 0.921 0.526 CB 1.342 39 residues pruned to eliminate duplicates Z: 49 28.005 2.034 0.533 0.486 0.917 0.500 CB 1.434 50 residues pruned to eliminate duplicates Z: 12 23.959 2.025 0.911 0.806 1.000 0.636 CB 1.429 12 residues pruned to eliminate duplicates Z: 17 17.016 2.051 0.481 0.645 1.000 0.625 CB 1.224 17 residues pruned to eliminate duplicates Z: 24 21.734 2.060 0.507 0.601 1.000 0.565 CB 1.326 24 residues pruned to eliminate duplicates Z: 58 31.625 2.031 0.577 0.585 0.930 0.509 CB 1.296 58 residues pruned to eliminate duplicates Z: 25 22.704 2.046 0.551 0.594 0.958 0.583 CB 1.393 25 residues pruned to eliminate duplicates Z: 49 29.025 2.056 0.479 0.505 0.917 0.562 CB 1.496 49 residues pruned to eliminate duplicates Z: 59 32.812 2.036 0.488 0.567 0.879 0.466 CB 1.515 59 residues pruned to eliminate duplicates Z: 8 11.011 2.082 0.278 0.516 1.000 0.571 CA 1.540 8 residues pruned to eliminate duplicates Z: 63 39.796 2.081 0.558 0.600 0.984 0.581 CB 1.440 78 residues pruned to eliminate duplicates Z: 6 4.356 1.902 0.564 0.260 0.800 0.200 CA 1.077 6 residues pruned to eliminate duplicates Z: 47 31.080 2.076 0.553 0.474 0.957 0.609 CB 1.526 47 residues pruned to eliminate duplicates Z: 82 44.814 2.074 0.554 0.580 0.951 0.642 CB 1.505 82 residues pruned to eliminate duplicates Z: 42 25.151 2.009 0.568 0.466 0.878 0.488 CA 1.471 42 residues pruned to eliminate duplicates Z: 32 25.421 2.080 0.608 0.453 0.903 0.581 CB 1.586 32 residues pruned to eliminate duplicates Z: 6 5.748 1.689 0.433 0.480 0.800 0.800 C 1.354 Z: 21 19.217 2.079 0.484 0.513 0.850 0.650 CB 1.617 21 residues pruned to eliminate duplicates Z: 23 21.249 2.042 0.676 0.457 0.864 0.591 CA 1.602 23 residues pruned to eliminate duplicates Z: 24 20.391 2.068 0.537 0.418 0.913 0.565 CA 1.597 24 residues pruned to eliminate duplicates Z: 48 30.477 2.068 0.503 0.515 0.915 0.681 CB 1.541 48 residues pruned to eliminate duplicates Z: 24 21.201 2.033 0.624 0.490 0.913 0.652 CA 1.481 24 residues pruned to eliminate duplicates Z: 31 24.053 2.055 0.626 0.444 0.867 0.667 CA 1.607 30 residues pruned to eliminate duplicates Z: 11 13.454 1.677 0.901 0.809 0.900 0.500 CA 1.133 11 residues pruned to eliminate duplicates Z: 32 25.784 2.050 0.681 0.402 0.935 0.548 CA 1.592 32 residues pruned to eliminate duplicates Z: 47 28.333 2.055 0.431 0.511 0.957 0.500 CB 1.469 47 residues pruned to eliminate duplicates Z: 13 10.912 2.008 0.344 0.536 0.833 0.583 CA 1.352 13 residues pruned to eliminate duplicates Z: 15 14.525 1.964 0.517 0.556 0.929 0.571 CA 1.329 15 residues pruned to eliminate duplicates Z: 32 26.718 1.996 0.671 0.503 0.935 0.484 CA 1.533 32 residues pruned to eliminate duplicates Z: 11 8.297 1.975 0.136 0.415 0.900 0.500 CB 1.420 23 residues pruned to eliminate duplicates Z: 7 4.973 1.513 0.775 0.567 1.000 0.833 CB 0.709 7 residues pruned to eliminate duplicates Z: 11 9.557 1.934 0.601 0.308 0.900 0.500 CB 1.342 12 residues pruned to eliminate duplicates Z: 6 4.050 1.656 0.275 0.343 1.000 0.400 CB 1.017 Z: 8 7.326 1.667 0.487 0.527 1.000 0.714 CB 1.089 6 residues pruned to eliminate duplicates Z: 6 5.566 2.037 0.058 0.416 1.000 0.800 CB 1.261 6 residues pruned to eliminate duplicates Z: 19 8.072 1.727 0.464 0.311 0.778 0.444 CB 1.193 19 residues pruned to eliminate duplicates Z: 14 7.113 1.754 0.204 0.521 0.846 0.462 CB 1.081 14 residues pruned to eliminate duplicates Z: 16 8.209 1.840 0.248 0.396 0.800 0.467 CB 1.289 15 residues pruned to eliminate duplicates Z: 6 2.562 1.283 0.068 0.381 1.000 0.200 N 0.949 6 residues pruned to eliminate duplicates Z: 14 7.820 1.942 0.207 0.342 0.846 0.462 CB 1.299 14 residues pruned to eliminate duplicates Z: 18 10.406 1.865 0.377 0.364 0.824 0.471 CB 1.381 16 residues pruned to eliminate duplicates Z: 15 7.344 1.843 0.279 0.351 0.786 0.571 CB 1.245 15 residues pruned to eliminate duplicates Z: 14 8.081 1.965 0.126 0.506 0.769 0.462 CB 1.309 14 residues pruned to eliminate duplicates Z: 6 3.163 1.685 0.385 0.276 0.600 0.600 CB 1.301 6 residues pruned to eliminate duplicates Z: 16 10.517 1.871 0.412 0.393 0.867 0.600 CB 1.328 18 residues pruned to eliminate duplicates 590 residues left after pruning, divided into chains as follows: A: 9 B: 6 C: 10 D: 13 E: 18 F: 19 G: 28 H: 34 I: 26 J: 37 K: 10 L: 38 M: 16 N: 7 O: 24 P: 66 Q: 122 R: 81 S: 9 T: 17 CC for partial structure against native data = 22.32 % ------------------------------------------------------------------------------ Global autotracing cycle 15 = 0.300, Contrast = 0.412, Connect. = 0.683 for dens.mod. cycle 1 = 0.300, Contrast = 0.472, Connect. = 0.705 for dens.mod. cycle 2 = 0.300, Contrast = 0.550, Connect. = 0.740 for dens.mod. cycle 3 = 0.300, Contrast = 0.557, Connect. = 0.744 for dens.mod. cycle 4 = 0.300, Contrast = 0.565, Connect. = 0.748 for dens.mod. cycle 5 = 0.300, Contrast = 0.569, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.574, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.576, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.578, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.579, Connect. = 0.760 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6795 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1228 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 7 4.313 2.002 0.023 0.248 0.833 0.500 CB 1.379 B: 8 11.923 1.908 0.473 0.851 0.857 0.429 CA 1.386 C: 8 4.780 1.928 0.375 0.286 0.571 0.429 CB 1.517 8 residues pruned to eliminate duplicates D: 18 22.581 2.189 0.564 0.827 0.882 0.706 CB 1.366 E: 18 28.988 2.119 0.750 0.874 1.000 0.824 CB 1.380 18 residues pruned to eliminate duplicates F: 23 34.692 2.099 0.469 0.888 1.000 0.818 CA 1.728 G: 22 17.082 2.235 0.584 0.333 0.857 0.524 CA 1.474 H: 19 20.925 2.121 0.289 0.866 0.944 0.833 CB 1.399 19 residues pruned to eliminate duplicates I: 10 6.963 2.011 0.215 0.495 0.889 0.667 CB 1.074 J: 11 21.180 2.078 0.750 0.930 0.900 0.900 CB 1.431 K: 21 29.761 2.226 0.490 0.894 0.900 0.800 CA 1.598 L: 10 26.549 2.181 0.812 0.929 1.000 0.889 CB 1.567 11 residues pruned to eliminate duplicates M: 6 3.309 1.427 0.907 0.801 0.800 0.400 CB 0.523 N: 8 10.986 1.709 0.584 0.865 1.000 0.714 CA 1.124 8 residues pruned to eliminate duplicates O: 21 27.572 2.147 0.368 0.908 0.950 0.750 CA 1.570 21 residues pruned to eliminate duplicates P: 20 50.428 2.290 1.067 0.935 1.000 0.789 CA 1.703 20 residues pruned to eliminate duplicates Q: 19 24.215 2.166 0.415 0.870 0.944 0.722 CB 1.439 19 residues pruned to eliminate duplicates R: 19 22.983 2.063 0.416 0.883 0.944 0.778 CA 1.419 17 residues pruned to eliminate duplicates S: 20 10.573 1.880 0.310 0.379 0.789 0.474 CA 1.419 T: 20 37.821 2.237 0.892 0.870 0.947 0.632 CA 1.579 20 residues pruned to eliminate duplicates U: 19 32.244 2.235 0.508 0.909 1.000 0.611 CA 1.600 19 residues pruned to eliminate duplicates V: 13 18.146 2.233 0.061 0.940 1.000 0.917 CB 1.536 13 residues pruned to eliminate duplicates W: 10 22.179 2.164 0.693 0.897 0.889 0.667 CB 1.625 10 residues pruned to eliminate duplicates X: 39 35.803 2.217 0.665 0.723 0.842 0.526 CB 1.528 20 residues pruned to eliminate duplicates Y: 20 24.926 2.092 0.319 0.890 1.000 0.895 CB 1.490 20 residues pruned to eliminate duplicates Z: 20 15.494 1.969 0.542 0.477 1.000 0.368 CB 1.198 10 residues pruned to eliminate duplicates Z: 21 32.641 2.229 0.530 0.904 1.000 0.700 CA 1.525 21 residues pruned to eliminate duplicates Z: 12 16.836 2.130 0.326 0.802 1.000 0.727 CB 1.381 12 residues pruned to eliminate duplicates Z: 20 30.686 2.017 0.632 0.890 1.000 0.789 CA 1.539 20 residues pruned to eliminate duplicates Z: 10 18.587 1.785 0.688 0.903 1.000 0.556 O 1.466 8 residues pruned to eliminate duplicates Z: 17 26.383 2.233 0.617 0.896 0.938 0.688 CB 1.395 17 residues pruned to eliminate duplicates Z: 13 9.457 1.809 0.520 0.374 0.917 0.417 CB 1.239 13 residues pruned to eliminate duplicates Z: 25 20.359 2.051 0.461 0.514 0.833 0.583 CA 1.642 Z: 17 21.184 2.187 0.422 0.815 0.938 0.812 CB 1.382 17 residues pruned to eliminate duplicates Z: 38 26.987 2.078 0.567 0.526 0.973 0.622 CA 1.364 Z: 7 7.407 1.796 0.304 0.487 1.000 0.667 CA 1.308 6 residues pruned to eliminate duplicates Z: 20 11.010 2.062 0.249 0.355 0.789 0.684 CB 1.452 Z: 16 15.353 2.100 0.597 0.461 0.867 0.533 CA 1.419 14 residues pruned to eliminate duplicates Z: 14 20.199 2.134 0.721 0.817 0.846 0.462 CB 1.369 14 residues pruned to eliminate duplicates Z: 25 15.998 1.958 0.453 0.416 0.833 0.583 CB 1.504 25 residues pruned to eliminate duplicates Z: 22 37.311 2.119 0.548 0.936 1.000 0.667 CB 1.728 22 residues pruned to eliminate duplicates Z: 46 31.201 2.081 0.452 0.608 0.933 0.689 CA 1.488 23 residues pruned to eliminate duplicates Z: 18 36.311 2.227 0.879 0.868 0.941 0.706 CB 1.635 18 residues pruned to eliminate duplicates Z: 12 11.447 1.904 0.234 0.563 0.909 0.636 CB 1.520 12 residues pruned to eliminate duplicates Z: 20 27.202 2.058 0.664 0.891 1.000 0.947 CA 1.310 20 residues pruned to eliminate duplicates Z: 10 5.769 1.882 0.070 0.387 0.889 0.556 CB 1.211 10 residues pruned to eliminate duplicates Z: 38 22.296 2.049 0.472 0.455 0.838 0.622 CA 1.518 40 residues pruned to eliminate duplicates Z: 21 11.818 1.928 0.290 0.436 0.800 0.500 CB 1.419 18 residues pruned to eliminate duplicates Z: 15 12.343 1.961 0.384 0.537 0.929 0.643 CA 1.262 Z: 23 20.658 2.206 0.850 0.309 0.864 0.500 CA 1.544 24 residues pruned to eliminate duplicates Z: 20 36.652 2.248 0.640 0.899 0.947 0.474 CB 1.720 20 residues pruned to eliminate duplicates Z: 22 30.728 2.090 0.786 0.864 0.810 0.333 CB 1.627 22 residues pruned to eliminate duplicates Z: 7 4.580 1.693 0.338 0.526 0.667 0.500 CB 1.207 Z: 15 13.075 1.848 0.735 0.374 0.857 0.500 CB 1.455 Z: 22 35.356 2.174 0.459 0.915 0.952 0.667 CB 1.805 22 residues pruned to eliminate duplicates Z: 22 20.209 2.067 0.545 0.499 0.905 0.476 CB 1.527 24 residues pruned to eliminate duplicates Z: 11 8.944 1.683 0.204 0.593 0.900 0.700 CB 1.419 Z: 6 6.969 1.723 0.326 0.838 1.000 0.800 CA 1.020 Z: 28 17.827 1.862 0.599 0.424 0.926 0.556 CA 1.347 Z: 23 18.784 2.060 0.612 0.535 0.773 0.500 CA 1.509 24 residues pruned to eliminate duplicates Z: 23 37.471 2.116 0.675 0.913 0.955 0.727 CA 1.672 23 residues pruned to eliminate duplicates Z: 19 29.343 2.083 0.678 0.860 0.889 0.611 CB 1.637 19 residues pruned to eliminate duplicates Z: 11 17.993 1.921 0.883 0.836 0.800 0.600 CB 1.473 10 residues pruned to eliminate duplicates Z: 21 47.679 2.208 1.114 0.908 0.950 0.550 CA 1.708 21 residues pruned to eliminate duplicates Z: 11 10.638 1.894 0.119 0.663 0.900 0.700 CA 1.516 10 residues pruned to eliminate duplicates Z: 14 10.955 1.822 0.229 0.443 1.000 0.538 CA 1.438 12 residues pruned to eliminate duplicates Z: 10 9.430 2.059 0.417 0.524 0.778 0.556 CB 1.354 Z: 9 5.404 1.916 0.306 0.780 1.000 0.750 CB 0.597 Z: 21 28.700 2.037 0.851 0.923 0.950 0.500 CB 1.259 21 residues pruned to eliminate duplicates Z: 10 5.529 1.699 0.146 0.588 1.000 0.667 CB 0.870 Z: 43 20.004 1.960 0.482 0.359 0.905 0.500 CA 1.368 43 residues pruned to eliminate duplicates Z: 28 18.888 2.033 0.559 0.464 0.852 0.481 CA 1.396 13 residues pruned to eliminate duplicates Z: 9 18.208 2.090 0.704 0.885 0.875 0.875 CB 1.492 9 residues pruned to eliminate duplicates Z: 10 11.349 1.744 0.791 0.564 0.889 0.667 CA 1.280 9 residues pruned to eliminate duplicates Z: 20 18.880 1.928 0.565 0.866 0.947 0.789 CA 1.109 6 residues pruned to eliminate duplicates Z: 40 23.517 2.018 0.566 0.442 0.795 0.385 CA 1.591 34 residues pruned to eliminate duplicates Z: 27 16.970 2.023 0.370 0.444 0.885 0.538 CB 1.438 27 residues pruned to eliminate duplicates Z: 12 7.800 1.814 0.013 0.567 0.909 0.545 CA 1.320 12 residues pruned to eliminate duplicates Z: 14 13.872 1.878 0.649 0.855 0.923 0.462 CA 0.993 14 residues pruned to eliminate duplicates Z: 12 7.925 1.827 0.705 0.285 0.727 0.364 CB 1.343 Z: 35 26.231 2.031 0.703 0.504 0.912 0.500 CB 1.421 35 residues pruned to eliminate duplicates Z: 23 15.501 1.978 0.524 0.413 0.909 0.591 CB 1.321 17 residues pruned to eliminate duplicates Z: 23 37.812 2.100 0.693 0.879 0.955 0.591 CB 1.723 23 residues pruned to eliminate duplicates Z: 19 28.400 2.141 0.643 0.908 1.000 0.833 CA 1.352 19 residues pruned to eliminate duplicates Z: 20 17.435 1.996 0.193 0.917 1.000 0.684 CA 1.186 20 residues pruned to eliminate duplicates Z: 21 16.321 1.972 0.524 0.436 0.900 0.500 CA 1.442 21 residues pruned to eliminate duplicates Z: 11 4.254 1.781 0.357 0.225 0.800 0.600 CB 0.959 13 residues pruned to eliminate duplicates Z: 30 15.675 2.015 0.320 0.386 0.862 0.517 CB 1.433 30 residues pruned to eliminate duplicates Z: 13 11.377 2.007 0.322 0.490 1.000 0.500 CB 1.251 13 residues pruned to eliminate duplicates Z: 11 11.316 1.776 0.352 0.865 1.000 0.600 CB 1.092 11 residues pruned to eliminate duplicates Z: 22 17.216 1.896 0.285 0.923 0.905 0.714 CA 1.197 21 residues pruned to eliminate duplicates Z: 7 7.382 2.128 0.306 0.545 0.667 0.500 CA 1.556 Z: 20 38.001 2.256 0.825 0.861 0.895 0.579 CB 1.739 20 residues pruned to eliminate duplicates Z: 8 10.221 1.946 0.362 0.639 1.000 0.714 CA 1.280 8 residues pruned to eliminate duplicates Z: 16 11.516 2.069 0.891 0.310 0.800 0.533 CA 1.173 16 residues pruned to eliminate duplicates Z: 20 16.364 2.204 0.637 0.348 0.895 0.632 CA 1.371 20 residues pruned to eliminate duplicates Z: 26 24.030 2.082 0.360 0.649 1.000 0.560 CB 1.477 26 residues pruned to eliminate duplicates Z: 9 13.045 1.865 0.496 0.879 1.000 0.875 CA 1.198 9 residues pruned to eliminate duplicates Z: 23 40.304 2.088 0.770 0.888 1.000 0.636 CA 1.676 23 residues pruned to eliminate duplicates Z: 33 12.206 1.928 0.555 0.323 0.719 0.406 CA 1.217 33 residues pruned to eliminate duplicates Z: 13 10.733 1.957 0.723 0.335 0.833 0.583 CB 1.320 13 residues pruned to eliminate duplicates Z: 38 15.612 1.937 0.292 0.338 0.865 0.459 CB 1.416 Z: 16 14.458 1.953 0.523 0.530 0.867 0.333 CA 1.407 16 residues pruned to eliminate duplicates Z: 10 4.232 1.815 0.126 0.282 0.667 0.333 N 1.324 Z: 6 6.149 2.051 0.442 0.650 0.800 0.600 CB 1.010 7 residues pruned to eliminate duplicates Z: 24 13.673 2.023 0.398 0.381 0.783 0.391 CB 1.461 23 residues pruned to eliminate duplicates Z: 9 10.870 2.099 0.147 0.540 1.000 0.625 CB 1.534 9 residues pruned to eliminate duplicates Z: 25 12.895 1.915 0.256 0.467 0.875 0.500 CB 1.293 25 residues pruned to eliminate duplicates Z: 20 32.578 2.220 0.634 0.879 0.947 0.684 CA 1.577 20 residues pruned to eliminate duplicates Z: 27 13.811 2.086 0.680 0.403 0.808 0.462 CB 1.060 12 residues pruned to eliminate duplicates Z: 41 42.362 2.214 0.733 0.686 0.950 0.475 CB 1.550 41 residues pruned to eliminate duplicates Z: 15 7.610 1.850 0.093 0.414 0.929 0.500 CB 1.185 14 residues pruned to eliminate duplicates Z: 16 10.676 1.975 0.607 0.355 0.800 0.533 CA 1.270 16 residues pruned to eliminate duplicates Z: 18 29.352 2.245 0.594 0.851 1.000 0.824 CA 1.473 18 residues pruned to eliminate duplicates Z: 6 3.775 1.420 0.218 0.609 0.800 0.600 CA 1.100 6 residues pruned to eliminate duplicates Z: 10 12.956 1.880 0.315 0.796 0.889 0.667 CB 1.517 10 residues pruned to eliminate duplicates Z: 11 16.212 1.675 0.794 0.871 1.000 0.600 CA 1.245 13 residues pruned to eliminate duplicates Z: 6 3.520 1.792 0.074 0.455 0.600 0.600 CB 1.427 Z: 19 20.143 2.090 0.221 0.836 0.944 0.778 CB 1.474 19 residues pruned to eliminate duplicates Z: 12 7.498 1.811 0.208 0.477 0.909 0.636 CB 1.163 9 residues pruned to eliminate duplicates Z: 19 14.396 2.067 0.310 0.383 0.889 0.500 CA 1.596 19 residues pruned to eliminate duplicates Z: 27 14.733 2.026 0.222 0.430 0.885 0.615 CB 1.419 27 residues pruned to eliminate duplicates Z: 39 22.084 2.015 0.483 0.480 0.868 0.579 CB 1.408 38 residues pruned to eliminate duplicates Z: 13 12.955 2.074 0.558 0.421 0.917 0.417 CB 1.371 13 residues pruned to eliminate duplicates Z: 16 17.769 2.060 0.407 0.901 1.000 0.733 CA 1.130 16 residues pruned to eliminate duplicates Z: 33 33.262 2.131 0.860 0.601 0.875 0.500 CA 1.539 22 residues pruned to eliminate duplicates Z: 18 31.729 2.158 0.845 0.865 0.882 0.647 CA 1.605 18 residues pruned to eliminate duplicates Z: 15 20.002 2.076 0.420 0.849 0.786 0.429 CA 1.710 15 residues pruned to eliminate duplicates Z: 17 37.332 2.217 1.117 0.927 0.875 0.625 CA 1.593 17 residues pruned to eliminate duplicates Z: 9 5.426 1.742 0.656 0.292 0.750 0.500 CA 1.119 Z: 15 12.234 2.031 0.156 0.480 0.857 0.571 CB 1.657 15 residues pruned to eliminate duplicates Z: 9 11.095 1.707 0.577 0.677 1.000 0.875 N 1.238 Z: 19 10.857 1.972 0.222 0.312 0.833 0.444 CA 1.570 19 residues pruned to eliminate duplicates Z: 9 19.165 2.171 0.724 0.621 1.000 0.750 CA 1.615 9 residues pruned to eliminate duplicates Z: 19 18.096 2.093 0.423 0.826 0.889 0.722 CB 1.215 19 residues pruned to eliminate duplicates Z: 24 15.560 2.016 0.582 0.387 0.783 0.435 CA 1.466 24 residues pruned to eliminate duplicates Z: 46 26.435 1.997 0.346 0.519 0.889 0.578 CB 1.619 46 residues pruned to eliminate duplicates Z: 25 12.157 1.950 0.270 0.424 0.750 0.417 CB 1.447 25 residues pruned to eliminate duplicates Z: 22 30.220 2.125 0.405 0.899 1.000 0.857 CA 1.579 22 residues pruned to eliminate duplicates Z: 11 15.702 1.832 0.590 0.777 1.000 0.700 CA 1.335 11 residues pruned to eliminate duplicates Z: 15 4.444 1.618 0.239 0.258 0.857 0.571 CB 0.912 12 residues pruned to eliminate duplicates Z: 17 8.821 1.886 0.503 0.446 0.812 0.562 CB 1.012 10 residues pruned to eliminate duplicates Z: 38 14.546 1.953 0.199 0.330 0.865 0.486 CB 1.423 37 residues pruned to eliminate duplicates Z: 17 11.224 2.016 0.342 0.399 0.875 0.438 CB 1.318 6 residues pruned to eliminate duplicates Z: 32 19.971 2.130 0.629 0.369 0.806 0.419 CB 1.475 32 residues pruned to eliminate duplicates Z: 17 11.523 2.005 0.623 0.344 0.750 0.438 CA 1.399 17 residues pruned to eliminate duplicates Z: 9 7.966 1.818 0.514 0.523 0.875 0.750 CB 1.143 9 residues pruned to eliminate duplicates Z: 14 7.109 1.704 0.447 0.339 0.769 0.308 CB 1.239 7 residues pruned to eliminate duplicates Z: 26 9.800 1.796 0.642 0.381 0.640 0.360 CA 1.179 26 residues pruned to eliminate duplicates Z: 19 47.866 2.288 1.055 0.952 1.000 0.778 CA 1.653 19 residues pruned to eliminate duplicates Z: 6 7.105 1.813 -0.025 0.811 1.000 1.000 CA 1.372 6 residues pruned to eliminate duplicates Z: 24 18.458 2.121 0.838 0.279 0.826 0.478 CA 1.533 24 residues pruned to eliminate duplicates Z: 21 10.613 1.975 0.201 0.424 0.850 0.600 CB 1.275 21 residues pruned to eliminate duplicates Z: 26 17.452 1.970 0.565 0.360 0.920 0.560 CB 1.431 25 residues pruned to eliminate duplicates Z: 17 13.702 1.976 0.400 0.504 0.938 0.562 CB 1.316 17 residues pruned to eliminate duplicates Z: 20 16.270 1.962 0.536 0.437 0.895 0.526 CA 1.478 20 residues pruned to eliminate duplicates Z: 8 5.817 1.785 0.001 0.597 0.857 0.714 CB 1.308 6 residues pruned to eliminate duplicates Z: 7 5.586 1.773 -0.317 0.761 1.000 0.667 CB 1.494 Z: 18 9.075 1.858 0.556 0.279 0.824 0.588 CA 1.187 18 residues pruned to eliminate duplicates Z: 19 27.238 1.955 0.853 0.923 1.000 0.833 CA 1.246 21 residues pruned to eliminate duplicates Z: 37 23.962 2.045 0.626 0.465 0.833 0.583 CA 1.493 37 residues pruned to eliminate duplicates Z: 74 52.120 2.187 0.792 0.554 0.918 0.548 CB 1.609 91 residues pruned to eliminate duplicates Z: 37 22.415 2.063 0.434 0.479 0.917 0.583 CA 1.408 37 residues pruned to eliminate duplicates Z: 8 14.692 2.041 0.488 0.818 1.000 0.857 CA 1.388 9 residues pruned to eliminate duplicates Z: 32 20.401 2.003 0.412 0.442 0.903 0.581 CA 1.522 32 residues pruned to eliminate duplicates Z: 22 41.642 2.190 0.740 0.923 1.000 0.714 CA 1.676 33 residues pruned to eliminate duplicates Z: 21 23.533 2.041 0.677 0.692 0.900 0.600 CB 1.433 21 residues pruned to eliminate duplicates Z: 30 12.257 1.929 0.492 0.379 0.793 0.414 CB 1.135 30 residues pruned to eliminate duplicates Z: 19 20.270 2.127 0.126 0.917 1.000 0.944 CB 1.408 19 residues pruned to eliminate duplicates Z: 38 24.028 2.083 0.522 0.502 0.838 0.676 CA 1.484 38 residues pruned to eliminate duplicates Z: 42 20.390 1.934 0.503 0.450 0.829 0.537 CA 1.390 42 residues pruned to eliminate duplicates Z: 22 27.682 2.126 0.537 0.882 0.810 0.429 CB 1.653 22 residues pruned to eliminate duplicates Z: 13 6.159 1.720 0.396 0.413 0.750 0.333 CB 1.081 13 residues pruned to eliminate duplicates Z: 16 16.030 1.957 0.595 0.602 0.867 0.533 CA 1.388 16 residues pruned to eliminate duplicates Z: 8 6.504 1.635 0.914 0.421 0.857 0.429 N 0.996 Z: 10 13.704 1.722 0.703 0.853 1.000 0.778 CA 1.151 10 residues pruned to eliminate duplicates Z: 11 6.516 1.827 -0.012 0.608 0.800 0.400 N 1.287 Z: 16 11.430 1.994 0.372 0.395 0.867 0.733 CB 1.391 16 residues pruned to eliminate duplicates Z: 15 8.609 1.880 0.214 0.371 0.857 0.571 CB 1.350 10 residues pruned to eliminate duplicates Z: 8 5.697 1.680 0.367 0.511 0.714 0.429 CA 1.298 Z: 12 14.439 2.061 0.539 0.448 0.909 0.636 CA 1.593 15 residues pruned to eliminate duplicates Z: 14 7.550 1.878 0.057 0.369 0.846 0.538 CB 1.435 14 residues pruned to eliminate duplicates Z: 16 11.646 1.888 0.461 0.421 0.867 0.667 CB 1.366 16 residues pruned to eliminate duplicates Z: 14 6.872 1.674 0.251 0.389 0.923 0.615 CA 1.110 13 residues pruned to eliminate duplicates Z: 22 33.869 2.104 0.661 0.900 0.905 0.762 CB 1.669 22 residues pruned to eliminate duplicates Z: 20 14.500 1.980 0.671 0.396 0.895 0.526 CA 1.255 20 residues pruned to eliminate duplicates Z: 20 17.976 1.906 0.453 0.865 0.895 0.526 CA 1.220 20 residues pruned to eliminate duplicates Z: 20 36.165 2.156 0.946 0.868 0.895 0.474 CA 1.616 20 residues pruned to eliminate duplicates Z: 10 7.934 1.757 0.160 0.736 0.889 0.556 CB 1.181 10 residues pruned to eliminate duplicates Z: 14 17.433 2.242 0.094 0.901 1.000 1.000 CB 1.408 14 residues pruned to eliminate duplicates Z: 10 14.806 1.875 0.751 0.825 1.000 0.556 CA 1.134 10 residues pruned to eliminate duplicates Z: 36 32.598 2.062 0.491 0.684 0.971 0.629 CA 1.559 36 residues pruned to eliminate duplicates Z: 57 40.176 2.064 0.585 0.666 0.964 0.625 CA 1.460 53 residues pruned to eliminate duplicates Z: 10 14.549 1.827 0.591 0.898 1.000 0.778 CA 1.194 10 residues pruned to eliminate duplicates Z: 38 24.818 2.078 0.532 0.441 0.919 0.486 CA 1.481 38 residues pruned to eliminate duplicates Z: 11 8.763 1.875 0.672 0.333 0.800 0.600 CB 1.326 14 residues pruned to eliminate duplicates Z: 17 8.549 1.706 0.244 0.538 0.938 0.562 CB 1.035 Z: 18 29.373 2.186 0.704 0.896 1.000 0.471 CB 1.370 18 residues pruned to eliminate duplicates Z: 6 7.510 1.876 0.490 0.495 0.800 0.400 CB 1.510 6 residues pruned to eliminate duplicates Z: 11 13.142 2.170 0.422 0.753 0.800 0.600 CB 1.343 11 residues pruned to eliminate duplicates Z: 10 19.144 1.736 0.938 0.913 1.000 0.667 CA 1.342 9 residues pruned to eliminate duplicates Z: 9 4.254 1.555 0.452 0.202 0.750 0.375 CB 1.264 Z: 11 13.932 1.991 0.551 0.838 1.000 0.900 CB 1.066 11 residues pruned to eliminate duplicates Z: 38 23.143 2.056 0.533 0.474 0.892 0.676 CA 1.389 38 residues pruned to eliminate duplicates Z: 10 7.799 1.886 0.411 0.599 0.778 0.444 N 1.144 9 residues pruned to eliminate duplicates Z: 10 7.434 1.901 0.525 0.399 0.778 0.667 CB 1.222 10 residues pruned to eliminate duplicates Z: 17 10.797 1.955 0.187 0.332 0.938 0.438 CB 1.491 17 residues pruned to eliminate duplicates Z: 16 11.199 2.032 0.389 0.444 0.800 0.533 CA 1.357 8 residues pruned to eliminate duplicates Z: 8 6.726 1.818 0.369 0.496 0.857 0.571 CB 1.196 10 residues pruned to eliminate duplicates Z: 18 29.316 2.076 0.852 0.855 0.882 0.412 CA 1.546 18 residues pruned to eliminate duplicates Z: 22 20.424 1.772 0.731 0.875 0.905 0.476 CA 1.169 22 residues pruned to eliminate duplicates Z: 6 2.652 1.639 -0.130 0.423 1.000 0.600 CB 0.900 Z: 20 6.423 1.802 0.106 0.354 0.789 0.526 CB 1.097 20 residues pruned to eliminate duplicates Z: 8 8.948 1.673 0.426 0.831 0.857 0.571 CB 1.242 7 residues pruned to eliminate duplicates Z: 61 31.078 1.999 0.559 0.539 0.917 0.517 CB 1.352 58 residues pruned to eliminate duplicates Z: 21 10.865 1.679 0.531 0.341 0.900 0.500 CA 1.248 21 residues pruned to eliminate duplicates Z: 7 5.302 1.910 -0.108 0.703 0.833 0.833 CB 1.268 Z: 6 6.109 1.930 0.180 0.600 0.800 0.600 N 1.363 Z: 20 41.575 2.259 0.958 0.911 0.947 0.579 CA 1.614 20 residues pruned to eliminate duplicates Z: 12 16.313 2.049 0.464 0.630 1.000 0.909 CB 1.451 12 residues pruned to eliminate duplicates Z: 15 13.705 2.051 0.549 0.427 0.929 0.500 CB 1.339 Z: 8 8.930 1.772 0.694 0.428 1.000 0.571 CA 1.212 8 residues pruned to eliminate duplicates Z: 30 18.425 1.996 0.469 0.399 0.862 0.552 CA 1.505 30 residues pruned to eliminate duplicates Z: 15 14.988 1.917 0.691 0.603 0.857 0.500 CA 1.307 15 residues pruned to eliminate duplicates Z: 6 5.464 1.677 0.314 0.481 0.800 0.200 C 1.413 Z: 18 9.788 1.885 0.255 0.365 0.882 0.471 CB 1.315 18 residues pruned to eliminate duplicates Z: 10 21.942 2.156 0.695 0.891 1.000 0.778 CB 1.439 10 residues pruned to eliminate duplicates Z: 15 10.752 1.955 0.334 0.371 0.857 0.571 CB 1.477 15 residues pruned to eliminate duplicates Z: 58 34.900 2.056 0.496 0.651 0.947 0.754 CB 1.378 58 residues pruned to eliminate duplicates Z: 57 42.951 2.155 0.668 0.555 0.964 0.571 CB 1.569 57 residues pruned to eliminate duplicates Z: 8 4.578 1.676 0.622 0.384 0.857 0.571 CB 0.840 Z: 9 10.195 2.094 0.693 0.477 0.875 0.375 CA 1.189 9 residues pruned to eliminate duplicates Z: 7 5.260 1.871 0.016 0.555 0.833 0.500 CB 1.286 8 residues pruned to eliminate duplicates Z: 26 9.519 1.892 0.103 0.274 0.920 0.440 CB 1.280 26 residues pruned to eliminate duplicates Z: 18 22.943 1.942 0.820 0.922 0.941 0.471 CA 1.176 18 residues pruned to eliminate duplicates 6 1.847 1.402 0.056 0.485 0.800 0.600 CB 0.708 ? Z: 8 2.825 1.655 -0.018 0.419 0.571 0.286 CB 1.251 8 residues pruned to eliminate duplicates Z: 8 6.236 1.775 0.040 0.432 1.000 0.571 CB 1.370 8 residues pruned to eliminate duplicates Z: 25 24.389 2.092 0.446 0.720 1.000 0.750 CA 1.349 25 residues pruned to eliminate duplicates Z: 21 21.284 1.914 0.470 0.856 0.950 0.700 CA 1.314 21 residues pruned to eliminate duplicates Z: 8 6.022 1.812 0.147 0.433 1.000 0.429 CB 1.174 8 residues pruned to eliminate duplicates Z: 38 26.338 2.091 0.706 0.532 0.892 0.622 CA 1.319 38 residues pruned to eliminate duplicates Z: 7 5.437 1.809 -0.112 0.495 1.000 0.833 N 1.390 7 residues pruned to eliminate duplicates Z: 39 10.942 1.881 0.137 0.263 0.789 0.368 CB 1.377 39 residues pruned to eliminate duplicates Z: 20 43.184 2.269 1.028 0.923 0.895 0.368 CA 1.690 20 residues pruned to eliminate duplicates Z: 23 19.550 2.149 0.738 0.357 0.909 0.682 CB 1.432 23 residues pruned to eliminate duplicates Z: 10 7.238 1.914 0.211 0.502 0.889 0.444 CB 1.169 10 residues pruned to eliminate duplicates Z: 27 21.123 2.066 0.786 0.420 0.846 0.538 CB 1.442 27 residues pruned to eliminate duplicates Z: 11 6.229 1.633 0.099 0.516 0.900 0.400 CB 1.200 11 residues pruned to eliminate duplicates Z: 6 3.714 1.604 0.199 0.760 0.800 0.800 CA 0.857 6 residues pruned to eliminate duplicates Z: 19 23.014 2.009 0.562 0.937 0.944 0.833 CA 1.273 19 residues pruned to eliminate duplicates Z: 8 9.853 1.787 0.780 0.686 0.857 0.714 N 1.152 Z: 21 24.832 1.970 0.717 0.896 0.950 0.700 CA 1.238 21 residues pruned to eliminate duplicates Z: 48 49.420 2.207 0.755 0.692 0.957 0.596 CA 1.629 49 residues pruned to eliminate duplicates Z: 23 20.219 2.176 0.867 0.344 0.864 0.409 CA 1.456 23 residues pruned to eliminate duplicates Z: 22 20.071 1.964 0.580 0.510 0.857 0.619 CA 1.630 19 residues pruned to eliminate duplicates Z: 6 7.377 1.465 1.012 0.751 0.800 0.600 CB 1.118 Z: 45 30.241 2.105 0.507 0.508 0.932 0.659 CA 1.530 38 residues pruned to eliminate duplicates Z: 38 24.749 2.071 0.472 0.475 0.919 0.622 CA 1.488 38 residues pruned to eliminate duplicates Z: 19 10.552 2.027 0.326 0.294 0.833 0.500 CA 1.399 19 residues pruned to eliminate duplicates Z: 16 21.015 2.013 0.879 0.905 0.867 0.267 CA 1.179 16 residues pruned to eliminate duplicates Z: 13 7.765 1.651 0.086 0.586 0.833 0.500 CA 1.382 13 residues pruned to eliminate duplicates Z: 33 17.397 2.035 0.244 0.351 0.906 0.594 CB 1.575 33 residues pruned to eliminate duplicates Z: 30 18.189 1.996 0.416 0.406 0.862 0.586 CA 1.530 30 residues pruned to eliminate duplicates Z: 31 25.249 2.063 0.644 0.487 0.933 0.767 CA 1.475 33 residues pruned to eliminate duplicates Z: 16 10.682 1.834 0.267 0.458 0.867 0.533 CA 1.429 16 residues pruned to eliminate duplicates Z: 40 24.166 2.041 0.511 0.464 0.872 0.538 CB 1.494 40 residues pruned to eliminate duplicates Z: 17 27.727 2.145 0.412 0.911 0.938 0.625 CA 1.730 17 residues pruned to eliminate duplicates Z: 7 3.841 1.545 0.555 0.421 0.667 0.333 CA 1.063 Z: 10 12.503 1.857 0.458 0.620 1.000 0.667 CB 1.375 9 residues pruned to eliminate duplicates Z: 6 4.620 1.472 0.511 0.465 0.800 0.400 C 1.203 Z: 21 10.893 1.768 0.420 0.267 0.900 0.450 CA 1.406 20 residues pruned to eliminate duplicates Z: 7 4.409 1.500 0.413 0.517 0.833 0.833 CB 1.002 Z: 6 13.926 2.066 0.464 0.867 1.000 0.800 CA 1.506 6 residues pruned to eliminate duplicates Z: 7 6.922 1.937 0.073 0.506 1.000 1.000 CA 1.352 7 residues pruned to eliminate duplicates Z: 7 2.359 1.754 -0.313 0.371 0.833 0.500 CB 1.100 6 0.567 1.179 0.510 0.441 0.600 0.600 CB 0.252 ? Z: 19 16.507 2.028 0.341 0.511 0.944 0.667 CB 1.498 19 residues pruned to eliminate duplicates Z: 11 7.555 1.570 0.661 0.412 0.900 0.500 CA 1.116 Z: 7 3.053 1.763 0.046 0.448 0.833 0.500 CB 0.856 7 residues pruned to eliminate duplicates Z: 7 5.147 1.813 0.080 0.425 1.000 0.667 CA 1.160 7 residues pruned to eliminate duplicates Z: 7 2.688 1.719 -0.145 0.408 0.667 0.500 CB 1.234 Z: 12 24.892 2.006 0.889 0.849 1.000 0.727 CB 1.468 12 residues pruned to eliminate duplicates Z: 18 25.355 2.154 0.430 0.910 1.000 0.706 CB 1.416 18 residues pruned to eliminate duplicates Z: 13 9.073 1.810 0.457 0.440 0.750 0.500 CA 1.409 13 residues pruned to eliminate duplicates Z: 39 36.414 2.061 0.763 0.655 0.868 0.684 CA 1.621 37 residues pruned to eliminate duplicates Z: 7 10.037 1.967 0.172 0.616 1.000 0.667 CA 1.592 7 residues pruned to eliminate duplicates Z: 22 12.206 1.989 0.453 0.356 0.762 0.381 CA 1.413 22 residues pruned to eliminate duplicates Z: 19 15.852 1.901 0.563 0.487 0.833 0.500 CA 1.530 19 residues pruned to eliminate duplicates Z: 19 23.545 2.081 0.625 0.622 0.944 0.556 CB 1.548 19 residues pruned to eliminate duplicates Z: 23 11.324 1.848 0.489 0.445 0.909 0.727 CB 1.021 18 residues pruned to eliminate duplicates Z: 6 4.761 1.936 0.208 0.768 1.000 0.800 CB 0.718 Z: 6 6.401 1.887 0.350 0.778 1.000 0.800 CB 0.879 6 residues pruned to eliminate duplicates Z: 21 12.587 2.084 0.677 0.324 0.800 0.450 CB 1.221 21 residues pruned to eliminate duplicates 6 1.568 1.547 0.206 0.718 0.800 0.600 CB 0.386 ? Z: 6 3.091 1.514 0.124 0.317 0.800 0.600 C 1.243 Z: 15 32.765 2.139 1.067 0.875 0.929 0.286 CB 1.551 15 residues pruned to eliminate duplicates Z: 11 5.573 1.701 0.490 0.359 0.800 0.500 CA 1.012 11 residues pruned to eliminate duplicates Z: 11 17.725 1.964 0.539 0.858 0.900 0.900 CA 1.518 11 residues pruned to eliminate duplicates Z: 19 21.448 2.002 0.606 0.929 1.000 0.944 CA 1.100 19 residues pruned to eliminate duplicates Z: 16 5.653 1.800 0.075 0.316 0.867 0.467 CB 1.067 16 residues pruned to eliminate duplicates Z: 8 11.253 1.909 0.328 0.694 1.000 0.714 CA 1.406 8 residues pruned to eliminate duplicates Z: 33 27.263 2.091 0.440 0.695 0.969 0.656 CA 1.382 33 residues pruned to eliminate duplicates Z: 27 14.275 2.140 0.581 0.359 0.769 0.500 CB 1.251 27 residues pruned to eliminate duplicates Z: 6 2.021 1.349 0.337 0.296 0.800 0.800 N 0.787 Z: 13 17.333 1.947 0.833 0.889 0.750 0.333 CA 1.346 13 residues pruned to eliminate duplicates Z: 10 4.263 1.560 0.541 0.377 0.667 0.444 CA 1.011 10 residues pruned to eliminate duplicates Z: 8 11.607 2.063 0.407 0.540 1.000 0.857 N 1.454 8 residues pruned to eliminate duplicates Z: 24 12.351 1.951 0.750 0.315 0.739 0.478 CB 1.252 21 residues pruned to eliminate duplicates Z: 8 2.594 1.567 0.306 0.312 0.714 0.429 CB 0.826 2 residues pruned to eliminate duplicates Z: 33 15.266 1.887 0.403 0.450 0.844 0.500 CB 1.272 32 residues pruned to eliminate duplicates Z: 14 13.175 2.048 0.536 0.458 0.923 0.846 CA 1.314 14 residues pruned to eliminate duplicates Z: 14 8.551 1.976 0.425 0.303 0.769 0.385 CA 1.364 14 residues pruned to eliminate duplicates Z: 36 13.881 1.925 0.266 0.355 0.886 0.400 CB 1.271 38 residues pruned to eliminate duplicates Z: 9 11.978 1.793 0.427 0.794 1.000 0.875 CA 1.279 9 residues pruned to eliminate duplicates Z: 9 8.317 1.692 0.228 0.737 1.000 0.625 N 1.143 9 residues pruned to eliminate duplicates Z: 16 8.698 2.049 0.106 0.372 0.733 0.333 CA 1.549 16 residues pruned to eliminate duplicates Z: 6 4.685 1.531 0.196 0.830 1.000 0.800 CA 0.860 Z: 48 44.451 2.161 0.654 0.633 1.000 0.660 CA 1.602 48 residues pruned to eliminate duplicates Z: 11 3.800 1.541 0.030 0.240 0.900 0.500 CB 1.136 Z: 10 12.389 1.898 0.181 0.826 1.000 0.556 CA 1.389 10 residues pruned to eliminate duplicates Z: 10 13.835 1.870 0.766 0.471 1.000 0.778 C 1.438 10 residues pruned to eliminate duplicates Z: 6 4.065 1.477 0.382 0.347 1.000 0.400 CA 1.052 Z: 49 28.835 2.048 0.548 0.520 0.917 0.521 CB 1.404 49 residues pruned to eliminate duplicates Z: 6 6.377 1.817 0.290 0.633 0.800 0.800 CA 1.343 6 residues pruned to eliminate duplicates Z: 31 25.089 2.085 0.532 0.575 0.967 0.533 CB 1.380 31 residues pruned to eliminate duplicates Z: 9 5.216 1.561 0.402 0.521 0.875 0.625 CB 0.943 Z: 7 3.484 1.601 0.132 0.304 1.000 0.500 N 0.977 7 residues pruned to eliminate duplicates Z: 10 12.450 1.909 0.529 0.525 1.000 0.778 CA 1.387 10 residues pruned to eliminate duplicates Z: 11 5.542 1.494 0.852 0.385 0.800 0.600 C 0.894 Z: 11 7.647 1.826 0.530 0.392 0.900 0.400 CB 1.078 11 residues pruned to eliminate duplicates Z: 20 23.110 2.056 0.755 0.552 1.000 0.737 CA 1.397 20 residues pruned to eliminate duplicates Z: 6 3.830 1.801 -0.203 0.446 1.000 0.600 CB 1.261 Z: 12 17.092 1.973 0.676 0.881 1.000 0.455 CB 1.129 12 residues pruned to eliminate duplicates Z: 8 4.977 1.827 -0.222 0.604 1.000 0.571 N 1.200 7 residues pruned to eliminate duplicates Z: 64 42.119 2.126 0.631 0.584 0.921 0.556 CB 1.534 64 residues pruned to eliminate duplicates Z: 13 10.079 1.992 0.585 0.572 1.000 0.667 CB 0.860 12 residues pruned to eliminate duplicates Z: 26 10.679 1.906 0.588 0.374 0.680 0.440 CB 1.187 26 residues pruned to eliminate duplicates Z: 8 3.339 1.549 0.248 0.320 0.857 0.286 CB 0.929 8 residues pruned to eliminate duplicates Z: 8 6.533 1.729 0.884 0.378 0.714 0.286 CB 1.208 7 residues pruned to eliminate duplicates Z: 6 5.339 1.744 0.325 0.629 0.800 0.400 CA 1.144 6 residues pruned to eliminate duplicates Z: 6 5.413 1.967 -0.133 0.634 1.000 0.600 N 1.252 6 residues pruned to eliminate duplicates Z: 21 7.734 1.829 0.292 0.354 0.750 0.500 CA 1.142 21 residues pruned to eliminate duplicates Z: 16 11.148 1.974 0.263 0.540 0.800 0.600 N 1.388 16 residues pruned to eliminate duplicates Z: 40 20.145 2.004 0.530 0.468 0.846 0.641 CA 1.284 40 residues pruned to eliminate duplicates Z: 16 12.782 1.897 0.560 0.379 1.000 0.733 CA 1.269 15 residues pruned to eliminate duplicates Z: 9 7.645 1.808 0.030 0.710 0.875 0.375 CB 1.370 9 residues pruned to eliminate duplicates Z: 11 4.713 1.706 0.113 0.234 0.900 0.400 CB 1.188 11 residues pruned to eliminate duplicates Z: 7 2.370 1.531 0.552 0.380 0.833 0.333 CB 0.555 Z: 8 5.384 1.507 0.246 0.708 1.000 0.714 CB 0.897 Z: 9 4.479 1.672 0.054 0.419 0.875 0.750 CB 1.117 7 residues pruned to eliminate duplicates Z: 7 5.328 1.875 0.490 0.582 0.833 0.500 N 0.863 7 residues pruned to eliminate duplicates Z: 29 12.171 1.940 0.372 0.389 0.750 0.464 CB 1.296 29 residues pruned to eliminate duplicates Z: 11 7.161 1.819 0.187 0.489 1.000 0.500 CB 1.061 11 residues pruned to eliminate duplicates Z: 20 36.405 2.252 0.756 0.900 0.895 0.316 CB 1.685 20 residues pruned to eliminate duplicates Z: 52 42.310 2.162 0.693 0.625 0.922 0.490 CA 1.561 52 residues pruned to eliminate duplicates Z: 8 8.294 1.773 0.350 0.470 1.000 0.714 CB 1.350 8 residues pruned to eliminate duplicates Z: 6 3.975 1.575 1.239 0.488 0.600 0.600 CB 0.851 Z: 6 3.594 1.853 -0.320 0.787 1.000 0.800 N 0.990 Z: 21 9.288 1.880 0.441 0.269 0.700 0.350 CA 1.423 21 residues pruned to eliminate duplicates Z: 10 12.985 1.914 0.704 0.748 1.000 0.333 CB 1.063 10 residues pruned to eliminate duplicates Z: 18 13.634 1.959 0.399 0.482 0.824 0.706 CB 1.493 18 residues pruned to eliminate duplicates Z: 6 2.218 1.588 -0.055 0.408 0.800 0.400 N 0.910 Z: 8 3.377 1.447 0.344 0.283 0.857 0.429 N 0.978 Z: 7 3.726 1.544 0.346 0.356 0.667 0.333 CA 1.283 Z: 14 18.326 2.088 0.542 0.847 0.846 0.538 CA 1.385 14 residues pruned to eliminate duplicates Z: 7 2.963 1.612 0.616 0.244 0.667 0.500 CB 0.936 Z: 12 6.141 1.599 0.408 0.433 0.909 0.455 CB 0.969 Z: 11 3.632 1.564 0.477 0.306 0.800 0.400 CB 0.771 Z: 23 10.977 1.904 0.304 0.460 0.864 0.682 CB 1.137 23 residues pruned to eliminate duplicates 7 1.884 1.322 0.312 0.375 0.667 0.333 CB 0.760 ? Z: 13 8.239 1.682 0.486 0.489 0.833 0.750 CB 1.154 13 residues pruned to eliminate duplicates Z: 9 16.920 1.762 1.070 0.816 1.000 0.625 CA 1.246 9 residues pruned to eliminate duplicates Z: 28 9.383 1.778 0.262 0.252 0.963 0.370 CB 1.111 28 residues pruned to eliminate duplicates Z: 27 25.267 2.115 0.663 0.603 0.846 0.462 CA 1.509 27 residues pruned to eliminate duplicates Z: 10 9.187 1.889 0.503 0.556 0.889 0.667 CB 1.149 10 residues pruned to eliminate duplicates Z: 19 31.580 2.209 0.522 0.912 0.944 0.889 CA 1.661 19 residues pruned to eliminate duplicates Z: 12 7.087 1.885 0.501 0.262 0.727 0.273 CA 1.363 12 residues pruned to eliminate duplicates Z: 10 8.171 1.831 0.545 0.650 1.000 0.667 CB 0.838 9 residues pruned to eliminate duplicates Z: 16 19.219 1.967 0.631 0.899 0.933 0.800 CA 1.185 16 residues pruned to eliminate duplicates 8 1.981 1.508 0.843 0.468 0.714 0.429 CB 0.390 ? 6 1.953 1.505 0.334 0.300 0.800 0.800 CB 0.680 ? Z: 18 21.087 1.912 0.721 0.881 0.941 0.529 CA 1.196 18 residues pruned to eliminate duplicates Z: 7 11.664 1.929 0.404 0.668 1.000 0.667 CA 1.505 7 residues pruned to eliminate duplicates Z: 11 5.592 1.546 0.360 0.536 1.000 0.900 CA 0.812 11 residues pruned to eliminate duplicates Z: 6 4.872 1.781 0.081 0.628 0.800 0.800 CB 1.254 Z: 21 19.845 1.956 0.673 0.585 1.000 0.650 CB 1.249 21 residues pruned to eliminate duplicates Z: 20 19.307 2.014 0.647 0.593 0.947 0.684 CA 1.290 20 residues pruned to eliminate duplicates Z: 9 13.819 1.970 0.763 0.659 1.000 0.750 CB 1.214 9 residues pruned to eliminate duplicates Z: 6 5.851 1.713 0.193 0.636 1.000 0.400 CA 1.127 Z: 9 2.331 1.349 0.434 0.224 0.750 0.625 CB 0.785 Z: 25 26.635 2.105 0.362 0.731 1.000 0.833 CB 1.541 25 residues pruned to eliminate duplicates Z: 11 2.108 1.283 0.497 0.286 0.500 0.400 CB 0.883 7 1.739 1.171 0.135 0.248 0.833 0.500 CB 0.857 ? Z: 54 48.045 2.189 0.798 0.605 0.943 0.509 CA 1.609 54 residues pruned to eliminate duplicates 6 1.648 1.167 0.501 0.429 0.800 0.400 N 0.566 ? 7 1.668 1.193 0.266 0.344 0.667 0.333 N 0.801 ? Z: 8 4.458 1.597 0.113 0.667 0.857 0.571 CB 0.948 8 residues pruned to eliminate duplicates Z: 8 4.101 1.504 0.408 0.322 0.714 0.429 CB 1.247 8 residues pruned to eliminate duplicates Z: 7 6.084 1.703 0.060 0.681 1.000 0.500 N 1.166 7 residues pruned to eliminate duplicates Z: 7 2.931 1.418 0.277 0.402 0.667 0.500 CB 1.099 7 residues pruned to eliminate duplicates Z: 6 5.833 1.558 0.106 0.782 1.000 0.800 CB 1.182 4 residues pruned to eliminate duplicates Z: 8 4.377 1.724 0.486 0.397 0.714 0.571 CA 1.008 5 residues pruned to eliminate duplicates Z: 9 3.840 1.452 0.486 0.509 0.750 0.750 CB 0.832 6 1.697 1.411 0.011 0.489 0.800 0.800 CB 0.673 ? Z: 6 2.856 1.374 0.083 0.383 1.000 0.400 C 0.973 Z: 8 8.527 1.701 0.842 0.521 0.857 0.429 CB 1.176 6 residues pruned to eliminate duplicates Z: 7 2.098 1.411 0.316 0.250 1.000 0.500 N 0.615 Z: 27 11.435 2.058 0.465 0.333 0.846 0.462 CB 1.055 30 residues pruned to eliminate duplicates Z: 34 39.490 2.033 0.707 0.754 0.939 0.788 CA 1.681 34 residues pruned to eliminate duplicates Z: 18 9.593 1.924 0.140 0.492 0.765 0.647 CA 1.399 18 residues pruned to eliminate duplicates Z: 9 4.426 1.542 0.476 0.361 0.875 0.250 CB 0.913 Z: 12 4.523 1.610 0.503 0.283 0.636 0.273 CA 1.132 Z: 54 40.054 2.185 0.696 0.571 0.906 0.509 CB 1.530 54 residues pruned to eliminate duplicates Z: 9 8.123 1.767 0.514 0.358 1.000 0.500 CA 1.252 9 residues pruned to eliminate duplicates Z: 14 12.326 1.963 0.656 0.445 0.923 0.769 CA 1.206 14 residues pruned to eliminate duplicates Z: 12 12.317 1.731 0.729 0.736 1.000 0.455 CB 1.004 12 residues pruned to eliminate duplicates Z: 40 48.632 2.215 0.767 0.746 1.000 0.590 CB 1.597 40 residues pruned to eliminate duplicates Z: 10 3.082 1.103 0.786 0.411 0.778 0.556 CB 0.736 Z: 9 6.378 1.960 0.106 0.492 1.000 0.500 CB 1.049 9 residues pruned to eliminate duplicates Z: 34 13.646 1.830 0.420 0.322 0.848 0.545 CA 1.310 30 residues pruned to eliminate duplicates Z: 14 11.637 2.053 0.663 0.404 0.846 0.462 CB 1.236 14 residues pruned to eliminate duplicates Z: 6 4.276 1.971 0.246 0.329 1.000 0.600 CB 0.940 5 residues pruned to eliminate duplicates Z: 16 7.750 1.674 0.599 0.427 0.800 0.467 CB 1.008 16 residues pruned to eliminate duplicates Z: 12 2.664 1.611 0.489 0.237 0.727 0.364 CB 0.625 Z: 8 2.394 1.408 -0.076 0.286 0.714 0.429 CB 1.239 Z: 6 4.499 1.664 -0.013 0.820 1.000 0.800 CB 0.929 6 residues pruned to eliminate duplicates Z: 6 2.481 1.536 0.079 0.468 0.600 0.400 CB 1.152 Z: 14 12.317 2.049 0.409 0.485 0.846 0.538 CB 1.420 14 residues pruned to eliminate duplicates Z: 29 17.756 2.035 0.251 0.500 0.929 0.464 CA 1.419 29 residues pruned to eliminate duplicates Z: 8 3.125 1.347 0.232 0.417 0.714 0.286 O 1.086 5 residues pruned to eliminate duplicates Z: 6 2.184 1.530 0.109 0.397 0.600 0.400 CB 1.069 Z: 6 2.889 1.179 0.206 0.786 1.000 0.600 CB 0.707 Z: 22 15.474 1.934 0.534 0.416 0.857 0.429 CA 1.450 22 residues pruned to eliminate duplicates Z: 9 7.789 1.943 0.508 0.452 0.875 0.625 CA 1.128 9 residues pruned to eliminate duplicates Z: 27 13.537 1.983 0.189 0.455 0.846 0.615 CB 1.392 27 residues pruned to eliminate duplicates Z: 7 12.578 1.983 0.584 0.657 1.000 0.500 CA 1.412 9 residues pruned to eliminate duplicates Z: 8 4.993 1.665 0.748 0.193 0.857 0.571 CB 1.091 Z: 17 35.199 2.123 0.930 0.909 1.000 0.375 CA 1.524 17 residues pruned to eliminate duplicates Z: 6 2.452 1.657 0.157 0.437 0.800 0.800 CB 0.763 Z: 30 13.853 1.851 0.393 0.424 0.862 0.621 CB 1.253 30 residues pruned to eliminate duplicates Z: 6 2.065 1.321 0.258 0.408 1.000 0.400 CB 0.612 Z: 13 7.112 1.871 0.367 0.277 0.833 0.500 CB 1.241 13 residues pruned to eliminate duplicates Z: 11 13.801 2.136 0.453 0.384 0.900 0.400 CB 1.766 11 residues pruned to eliminate duplicates Z: 21 40.620 2.185 0.874 0.939 0.950 0.500 CB 1.623 24 residues pruned to eliminate duplicates Z: 6 3.837 1.467 0.229 0.603 0.800 0.800 N 1.079 Z: 15 6.220 1.820 0.538 0.269 0.786 0.571 CB 0.983 15 residues pruned to eliminate duplicates Z: 6 3.195 1.708 0.371 0.326 0.800 0.600 CB 0.924 Z: 8 11.037 1.835 0.313 0.878 0.857 0.286 CB 1.466 8 residues pruned to eliminate duplicates 6 1.547 1.388 -0.125 0.442 0.600 0.400 CB 1.008 ? Z: 6 2.563 1.533 0.598 0.100 0.800 0.200 CB 0.975 6 residues pruned to eliminate duplicates Z: 23 16.655 1.873 0.417 0.590 1.000 0.636 CB 1.227 23 residues pruned to eliminate duplicates Z: 17 15.226 1.833 0.629 0.435 1.000 0.625 CA 1.364 17 residues pruned to eliminate duplicates Z: 13 13.305 1.877 0.422 0.591 0.917 0.667 CB 1.439 13 residues pruned to eliminate duplicates Z: 6 6.612 2.207 -0.097 0.648 0.800 0.400 CA 1.616 Z: 8 3.543 1.549 0.390 0.271 0.857 0.286 CB 0.941 7 1.676 1.139 0.490 0.565 0.667 0.667 O 0.568 ? Z: 16 8.379 1.996 0.098 0.296 0.867 0.400 CA 1.432 16 residues pruned to eliminate duplicates Z: 6 2.508 1.276 0.535 0.300 0.800 0.400 O 0.895 Z: 6 2.092 1.169 0.446 0.483 1.000 0.800 CB 0.563 Z: 10 21.723 2.128 0.558 0.907 1.000 0.889 CB 1.552 10 residues pruned to eliminate duplicates Z: 21 27.855 2.071 0.678 0.868 1.000 0.700 CA 1.310 21 residues pruned to eliminate duplicates Z: 7 3.400 1.477 0.433 0.263 0.833 0.500 N 1.032 Z: 9 7.020 1.655 0.411 0.698 1.000 0.875 CA 0.887 Z: 21 18.471 1.945 0.697 0.524 0.850 0.700 CA 1.438 21 residues pruned to eliminate duplicates Z: 11 4.429 1.434 0.283 0.473 0.800 0.600 CB 0.979 Z: 22 16.685 1.935 0.409 0.459 0.952 0.429 CA 1.462 22 residues pruned to eliminate duplicates Z: 16 5.293 1.671 0.548 0.259 0.667 0.333 CA 1.044 10 residues pruned to eliminate duplicates Z: 20 43.077 2.257 1.100 0.912 0.895 0.421 CB 1.650 20 residues pruned to eliminate duplicates Z: 12 5.934 1.928 0.267 0.323 0.636 0.364 CA 1.399 8 residues pruned to eliminate duplicates Z: 6 2.452 1.488 0.055 0.547 0.600 0.600 CB 1.112 Z: 7 4.732 1.469 0.747 0.522 0.833 0.667 CB 0.884 6 1.976 1.322 0.020 0.557 0.800 0.600 CB 0.775 ? Z: 7 2.648 1.765 0.522 0.093 0.833 0.500 CB 0.815 7 residues pruned to eliminate duplicates 6 1.665 1.290 0.223 0.137 0.800 0.400 O 0.926 ? Z: 9 7.573 1.684 0.843 0.462 1.000 0.750 CB 0.896 Z: 18 13.007 1.807 0.637 0.508 0.824 0.588 CA 1.285 18 residues pruned to eliminate duplicates Z: 12 5.553 1.650 0.423 0.299 0.727 0.455 CB 1.227 11 residues pruned to eliminate duplicates Z: 8 3.490 1.574 0.648 0.532 0.857 0.571 CB 0.575 6 residues pruned to eliminate duplicates Z: 12 4.401 1.518 0.395 0.360 0.636 0.364 C 1.145 Z: 9 4.885 1.481 0.437 0.415 0.875 0.625 CA 1.013 7 residues pruned to eliminate duplicates Z: 8 3.534 1.763 -0.089 0.387 0.857 0.714 CB 1.093 12 residues pruned to eliminate duplicates Z: 9 6.835 1.594 0.132 0.692 1.000 0.750 CB 1.123 6 residues pruned to eliminate duplicates Z: 11 24.140 2.020 0.799 0.905 1.000 0.700 CB 1.495 11 residues pruned to eliminate duplicates Z: 10 4.286 1.388 0.821 0.581 0.889 0.667 CB 0.588 10 residues pruned to eliminate duplicates Z: 56 43.739 2.163 0.665 0.587 0.945 0.527 CA 1.593 56 residues pruned to eliminate duplicates Z: 22 16.066 2.088 0.313 0.504 0.952 0.762 CB 1.338 22 residues pruned to eliminate duplicates Z: 8 3.523 1.248 0.546 0.330 0.857 0.429 O 0.970 Z: 10 3.131 1.402 0.620 0.189 0.778 0.444 CB 0.857 Z: 9 8.427 1.740 0.569 0.374 0.875 0.375 CA 1.427 Z: 23 26.634 1.976 0.517 0.805 0.909 0.818 CA 1.597 22 residues pruned to eliminate duplicates Z: 7 4.124 1.201 0.502 0.711 1.000 0.500 CB 0.770 Z: 6 3.290 1.465 -0.178 0.635 1.000 0.600 CB 1.076 4 residues pruned to eliminate duplicates Z: 15 4.138 1.677 0.019 0.208 0.714 0.500 N 1.280 15 residues pruned to eliminate duplicates Z: 7 4.307 1.734 0.062 0.768 0.667 0.333 CB 1.129 Z: 7 2.459 1.214 0.503 0.351 0.833 0.500 C 0.776 Z: 24 18.993 2.059 0.494 0.405 0.870 0.609 CB 1.635 24 residues pruned to eliminate duplicates Z: 11 9.343 1.812 0.280 0.392 0.900 0.700 N 1.587 11 residues pruned to eliminate duplicates Z: 17 9.122 1.805 0.229 0.430 0.938 0.438 CB 1.179 16 residues pruned to eliminate duplicates Z: 38 19.365 1.996 0.467 0.470 0.865 0.595 CA 1.296 38 residues pruned to eliminate duplicates Z: 8 3.532 1.426 0.455 0.519 1.000 0.714 CB 0.631 8 residues pruned to eliminate duplicates Z: 6 6.574 1.711 0.812 0.674 0.800 0.800 CA 1.010 6 residues pruned to eliminate duplicates Z: 21 15.068 1.943 0.436 0.535 0.850 0.550 CB 1.373 21 residues pruned to eliminate duplicates Z: 6 3.110 1.207 0.251 0.721 1.000 0.600 C 0.755 Z: 9 6.087 2.111 -0.092 0.299 0.875 0.625 CB 1.606 15 residues pruned to eliminate duplicates Z: 11 19.187 2.076 0.746 0.511 1.000 0.800 CB 1.656 11 residues pruned to eliminate duplicates Z: 17 19.770 2.126 0.429 0.821 0.938 0.688 CB 1.314 17 residues pruned to eliminate duplicates Z: 24 15.412 2.020 0.635 0.365 0.739 0.435 CA 1.522 33 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 3.041 1.276 0.643 0.339 0.800 0.200 CA 0.967 6 residues pruned to eliminate duplicates Z: 13 7.336 1.853 0.261 0.368 0.917 0.500 CB 1.139 13 residues pruned to eliminate duplicates Z: 13 8.999 1.835 0.399 0.419 0.917 0.583 CB 1.202 13 residues pruned to eliminate duplicates Z: 27 10.360 1.892 0.268 0.357 0.885 0.654 CB 1.118 27 residues pruned to eliminate duplicates Z: 29 12.498 1.823 0.292 0.362 0.893 0.607 CB 1.303 29 residues pruned to eliminate duplicates Z: 11 10.143 1.926 0.696 0.392 0.900 0.800 CB 1.224 11 residues pruned to eliminate duplicates Z: 6 4.718 1.628 0.215 0.775 0.800 0.600 N 1.046 6 residues pruned to eliminate duplicates Z: 7 5.841 1.610 0.274 0.591 0.833 0.500 C 1.279 5 residues pruned to eliminate duplicates Z: 8 7.405 1.611 0.279 0.626 1.000 0.571 N 1.206 8 residues pruned to eliminate duplicates Z: 9 9.040 1.723 0.367 0.742 1.000 0.750 N 1.092 9 residues pruned to eliminate duplicates Z: 8 10.070 1.970 0.204 0.696 1.000 0.857 N 1.341 8 residues pruned to eliminate duplicates Z: 10 10.554 1.975 0.379 0.434 0.889 0.667 CB 1.556 10 residues pruned to eliminate duplicates Z: 9 14.664 2.048 0.594 0.474 1.000 0.750 CB 1.630 7 residues pruned to eliminate duplicates Z: 8 8.860 1.935 0.387 0.387 1.000 0.286 CA 1.406 8 residues pruned to eliminate duplicates Z: 10 10.896 1.964 0.260 0.524 1.000 0.556 CB 1.433 10 residues pruned to eliminate duplicates Z: 10 5.897 1.893 0.277 0.398 0.778 0.444 CB 1.164 10 residues pruned to eliminate duplicates Z: 8 4.837 1.745 0.341 0.332 0.714 0.571 CB 1.313 8 residues pruned to eliminate duplicates Z: 15 8.654 1.745 0.107 0.489 0.857 0.571 CB 1.414 15 residues pruned to eliminate duplicates Z: 15 8.611 1.754 0.108 0.465 0.857 0.500 CB 1.432 15 residues pruned to eliminate duplicates Z: 14 8.916 1.762 0.056 0.536 1.000 0.692 CA 1.282 14 residues pruned to eliminate duplicates Z: 14 9.194 1.794 0.118 0.544 0.846 0.538 CA 1.440 14 residues pruned to eliminate duplicates Z: 12 10.186 1.805 0.170 0.594 1.000 0.636 CB 1.330 12 residues pruned to eliminate duplicates Z: 9 7.964 1.819 0.048 0.543 1.000 0.625 CA 1.416 9 residues pruned to eliminate duplicates Z: 10 7.941 1.844 0.067 0.527 1.000 0.556 CA 1.311 10 residues pruned to eliminate duplicates Z: 14 8.488 1.754 0.257 0.386 0.923 0.462 CB 1.307 14 residues pruned to eliminate duplicates Z: 11 8.402 1.755 0.367 0.398 0.900 0.500 CB 1.370 11 residues pruned to eliminate duplicates Z: 10 12.202 1.767 0.402 0.663 1.000 0.778 CB 1.411 10 residues pruned to eliminate duplicates Z: 6 3.713 1.577 0.182 0.350 0.800 0.400 O 1.310 6 residues pruned to eliminate duplicates Z: 18 11.173 1.983 0.277 0.357 0.824 0.588 CB 1.517 33 residues pruned to eliminate duplicates Z: 7 8.285 2.117 0.096 0.429 0.833 0.667 O 1.884 7 residues pruned to eliminate duplicates Z: 11 5.887 1.987 0.022 0.232 0.900 0.500 CB 1.391 11 residues pruned to eliminate duplicates Z: 10 6.201 2.086 -0.016 0.268 0.778 0.556 CB 1.687 10 residues pruned to eliminate duplicates Z: 21 9.595 1.796 0.232 0.251 0.850 0.550 O 1.519 43 residues pruned to eliminate duplicates Z: 13 10.861 1.951 0.323 0.307 0.917 0.500 CB 1.643 Z: 14 4.230 1.776 0.278 0.117 0.692 0.308 CB 1.209 14 residues pruned to eliminate duplicates Z: 13 4.074 1.791 0.203 0.141 0.750 0.333 CB 1.136 13 residues pruned to eliminate duplicates Z: 13 6.849 1.799 0.418 0.191 0.917 0.500 CB 1.223 13 residues pruned to eliminate duplicates Z: 11 7.314 1.893 0.528 0.261 0.900 0.500 CB 1.167 11 residues pruned to eliminate duplicates Z: 67 40.267 2.133 0.645 0.505 0.909 0.636 CB 1.547 67 residues pruned to eliminate duplicates Z: 16 7.159 1.707 0.571 0.228 0.800 0.200 CB 1.183 19 residues pruned to eliminate duplicates Z: 6 6.947 1.862 0.463 0.447 0.800 0.200 CB 1.506 6 residues pruned to eliminate duplicates Z: 12 6.868 1.782 0.338 0.260 0.909 0.545 CB 1.257 12 residues pruned to eliminate duplicates Z: 12 9.977 1.878 0.678 0.428 0.727 0.364 CA 1.414 12 residues pruned to eliminate duplicates Z: 13 10.797 1.981 0.428 0.361 0.833 0.417 CB 1.536 13 residues pruned to eliminate duplicates Z: 12 10.840 1.629 0.548 0.483 1.000 0.545 N 1.319 12 residues pruned to eliminate duplicates Z: 22 10.078 1.873 0.357 0.290 0.810 0.429 CB 1.352 22 residues pruned to eliminate duplicates Z: 13 11.604 1.975 0.308 0.417 0.917 0.500 CB 1.544 13 residues pruned to eliminate duplicates Z: 11 10.710 1.956 0.506 0.377 0.800 0.400 N 1.639 11 residues pruned to eliminate duplicates Z: 12 12.652 1.929 0.802 0.363 0.818 0.545 N 1.554 12 residues pruned to eliminate duplicates Z: 11 6.568 1.772 0.241 0.295 0.900 0.300 N 1.320 11 residues pruned to eliminate duplicates Z: 12 12.932 1.900 0.733 0.456 1.000 0.636 CA 1.239 12 residues pruned to eliminate duplicates Z: 22 18.328 2.008 0.530 0.528 0.905 0.667 CB 1.400 23 residues pruned to eliminate duplicates Z: 7 7.147 1.729 0.594 0.406 1.000 0.167 CB 1.169 7 residues pruned to eliminate duplicates Z: 27 18.089 2.036 0.498 0.450 0.885 0.654 CA 1.384 27 residues pruned to eliminate duplicates Z: 28 15.468 1.995 0.413 0.440 0.852 0.556 CB 1.318 28 residues pruned to eliminate duplicates Z: 17 13.371 2.073 0.276 0.471 0.875 0.625 CB 1.487 17 residues pruned to eliminate duplicates Z: 28 17.177 1.997 0.402 0.456 0.889 0.593 CB 1.390 28 residues pruned to eliminate duplicates Z: 25 13.694 1.981 0.437 0.355 0.875 0.333 CB 1.313 25 residues pruned to eliminate duplicates Z: 18 11.262 2.076 0.179 0.414 0.882 0.529 CA 1.385 18 residues pruned to eliminate duplicates Z: 20 12.550 2.035 0.388 0.431 0.789 0.579 CB 1.386 20 residues pruned to eliminate duplicates Z: 27 18.631 2.033 0.461 0.456 0.923 0.500 CB 1.393 27 residues pruned to eliminate duplicates Z: 25 12.971 1.941 0.550 0.400 0.792 0.458 CB 1.234 25 residues pruned to eliminate duplicates Z: 17 11.490 2.079 0.204 0.455 0.875 0.562 CB 1.372 17 residues pruned to eliminate duplicates Z: 17 9.403 2.075 0.202 0.392 0.812 0.562 CB 1.301 17 residues pruned to eliminate duplicates Z: 27 17.554 2.030 0.389 0.430 0.923 0.615 CB 1.422 27 residues pruned to eliminate duplicates Z: 29 14.145 1.905 0.387 0.404 0.893 0.536 CB 1.253 29 residues pruned to eliminate duplicates Z: 17 10.656 2.019 0.237 0.392 0.875 0.625 CB 1.367 17 residues pruned to eliminate duplicates Z: 27 15.638 2.005 0.460 0.379 0.885 0.500 CB 1.347 27 residues pruned to eliminate duplicates Z: 18 10.110 2.082 0.207 0.341 0.824 0.647 CB 1.408 18 residues pruned to eliminate duplicates Z: 20 11.066 1.971 0.186 0.400 0.842 0.421 CA 1.434 20 residues pruned to eliminate duplicates Z: 30 12.710 1.969 0.257 0.311 0.862 0.414 CB 1.363 30 residues pruned to eliminate duplicates Z: 9 4.504 1.769 0.111 0.230 0.750 0.250 C 1.478 9 residues pruned to eliminate duplicates Z: 15 6.086 1.912 0.122 0.335 0.857 0.429 CB 1.059 15 residues pruned to eliminate duplicates Z: 21 9.298 1.975 0.202 0.313 0.900 0.550 CB 1.197 21 residues pruned to eliminate duplicates Z: 23 10.496 1.910 0.252 0.321 0.909 0.545 CB 1.254 23 residues pruned to eliminate duplicates Z: 20 9.043 1.999 0.177 0.273 0.895 0.526 CB 1.276 20 residues pruned to eliminate duplicates Z: 13 7.305 1.964 0.249 0.367 0.833 0.500 CB 1.189 13 residues pruned to eliminate duplicates Z: 18 11.592 1.995 0.377 0.362 0.941 0.588 CB 1.261 18 residues pruned to eliminate duplicates Z: 20 10.782 1.968 0.202 0.359 0.947 0.632 CB 1.285 20 residues pruned to eliminate duplicates Z: 20 10.999 1.976 0.378 0.316 0.895 0.474 CB 1.268 20 residues pruned to eliminate duplicates Z: 39 16.482 1.962 0.307 0.287 0.921 0.368 CB 1.438 40 residues pruned to eliminate duplicates Z: 7 3.544 1.405 0.424 0.464 0.833 0.500 CA 0.900 7 residues pruned to eliminate duplicates Z: 25 11.880 1.994 0.300 0.296 0.875 0.500 CB 1.344 25 residues pruned to eliminate duplicates Z: 35 15.485 2.064 0.271 0.348 0.882 0.588 CB 1.352 35 residues pruned to eliminate duplicates Z: 38 17.829 1.955 0.261 0.355 0.919 0.405 CB 1.514 38 residues pruned to eliminate duplicates Z: 35 15.504 2.050 0.235 0.292 0.882 0.471 CB 1.502 35 residues pruned to eliminate duplicates Z: 33 16.944 2.056 0.326 0.334 0.875 0.500 CB 1.505 33 residues pruned to eliminate duplicates Z: 37 15.790 2.015 0.212 0.323 0.944 0.444 CB 1.386 37 residues pruned to eliminate duplicates Z: 36 15.014 1.986 0.223 0.331 0.914 0.486 CB 1.374 36 residues pruned to eliminate duplicates Z: 37 15.247 1.987 0.271 0.288 0.889 0.417 CB 1.436 37 residues pruned to eliminate duplicates Z: 6 4.666 1.802 -0.130 0.412 1.000 0.400 O 1.459 6 residues pruned to eliminate duplicates Z: 14 13.024 2.145 0.148 0.423 0.923 0.385 CA 1.722 14 residues pruned to eliminate duplicates Z: 36 16.535 2.017 0.210 0.325 0.943 0.429 CB 1.471 36 residues pruned to eliminate duplicates Z: 16 13.544 1.974 0.225 0.490 0.867 0.533 CB 1.686 14 residues pruned to eliminate duplicates Z: 6 3.183 1.755 -0.094 0.416 1.000 0.600 CA 0.977 6 residues pruned to eliminate duplicates Z: 13 7.788 1.774 0.547 0.223 0.833 0.333 CB 1.358 13 residues pruned to eliminate duplicates Z: 21 14.318 2.045 0.494 0.329 0.850 0.400 CA 1.488 22 residues pruned to eliminate duplicates Z: 8 8.292 1.858 0.772 0.367 0.714 0.571 C 1.537 8 residues pruned to eliminate duplicates Z: 19 16.182 2.084 0.485 0.415 0.889 0.500 CA 1.515 19 residues pruned to eliminate duplicates Z: 21 11.931 2.089 0.403 0.301 0.800 0.400 CA 1.421 21 residues pruned to eliminate duplicates Z: 20 12.853 2.047 0.392 0.365 0.895 0.421 CB 1.336 20 residues pruned to eliminate duplicates Z: 19 11.784 2.036 0.274 0.360 0.833 0.444 CA 1.493 19 residues pruned to eliminate duplicates Z: 18 12.621 2.053 0.352 0.492 0.706 0.529 CA 1.575 18 residues pruned to eliminate duplicates Z: 19 11.169 2.089 0.253 0.304 0.833 0.389 CB 1.502 19 residues pruned to eliminate duplicates Z: 21 11.478 1.983 0.356 0.342 0.800 0.500 CB 1.417 21 residues pruned to eliminate duplicates Z: 16 9.552 2.068 0.295 0.323 0.800 0.400 CA 1.399 16 residues pruned to eliminate duplicates Z: 20 11.784 2.040 0.202 0.402 0.842 0.316 CA 1.452 20 residues pruned to eliminate duplicates Z: 6 4.370 1.677 0.102 0.442 1.000 0.400 CB 1.122 6 residues pruned to eliminate duplicates Z: 37 27.305 2.127 0.582 0.488 0.889 0.583 CA 1.540 44 residues pruned to eliminate duplicates Z: 21 14.408 2.003 0.472 0.311 0.900 0.550 CA 1.497 21 residues pruned to eliminate duplicates Z: 20 15.461 2.050 0.666 0.341 0.895 0.632 CA 1.380 18 residues pruned to eliminate duplicates Z: 18 18.172 2.076 0.575 0.388 1.000 0.706 CA 1.517 18 residues pruned to eliminate duplicates Z: 38 24.436 2.084 0.505 0.450 0.892 0.595 CA 1.512 38 residues pruned to eliminate duplicates Z: 20 14.589 2.035 0.597 0.326 0.895 0.684 CA 1.393 20 residues pruned to eliminate duplicates Z: 38 24.358 2.093 0.440 0.468 0.919 0.649 CA 1.494 38 residues pruned to eliminate duplicates Z: 20 16.054 2.041 0.626 0.351 0.895 0.737 CA 1.457 20 residues pruned to eliminate duplicates Z: 38 27.197 2.110 0.555 0.487 0.946 0.595 CA 1.460 38 residues pruned to eliminate duplicates Z: 36 26.201 2.155 0.526 0.466 0.914 0.600 CA 1.525 36 residues pruned to eliminate duplicates Z: 39 22.748 2.057 0.554 0.442 0.868 0.500 CA 1.411 39 residues pruned to eliminate duplicates Z: 37 27.188 2.109 0.575 0.485 0.944 0.611 CA 1.466 37 residues pruned to eliminate duplicates Z: 40 25.240 2.044 0.478 0.461 0.923 0.615 CA 1.508 40 residues pruned to eliminate duplicates Z: 40 23.934 2.042 0.554 0.467 0.872 0.590 CA 1.433 40 residues pruned to eliminate duplicates Z: 27 17.122 2.019 0.425 0.376 0.885 0.462 CA 1.506 27 residues pruned to eliminate duplicates Z: 35 16.620 1.894 0.513 0.353 0.824 0.500 CA 1.415 35 residues pruned to eliminate duplicates Z: 30 17.485 2.043 0.501 0.386 0.828 0.517 CA 1.444 30 residues pruned to eliminate duplicates Z: 27 21.055 2.058 0.563 0.408 0.923 0.615 CA 1.531 27 residues pruned to eliminate duplicates Z: 37 26.091 2.147 0.573 0.492 0.889 0.583 CA 1.461 37 residues pruned to eliminate duplicates Z: 37 28.425 2.138 0.542 0.502 0.944 0.639 CA 1.518 37 residues pruned to eliminate duplicates Z: 36 27.672 2.160 0.568 0.473 0.914 0.514 CA 1.553 36 residues pruned to eliminate duplicates Z: 38 22.103 2.087 0.487 0.431 0.865 0.514 CA 1.454 38 residues pruned to eliminate duplicates Z: 40 24.975 2.055 0.552 0.466 0.897 0.487 CA 1.448 40 residues pruned to eliminate duplicates Z: 44 21.917 1.986 0.532 0.435 0.860 0.581 CA 1.366 44 residues pruned to eliminate duplicates Z: 22 19.126 2.050 0.482 0.524 0.905 0.571 CA 1.483 22 residues pruned to eliminate duplicates Z: 15 15.051 1.967 0.671 0.606 0.857 0.714 CB 1.291 13 residues pruned to eliminate duplicates Z: 6 4.813 1.773 0.533 0.441 0.600 0.600 CA 1.403 6 residues pruned to eliminate duplicates Z: 38 27.465 2.111 0.619 0.498 0.919 0.568 CA 1.441 39 residues pruned to eliminate duplicates Z: 37 26.082 2.111 0.481 0.497 0.917 0.556 CA 1.521 37 residues pruned to eliminate duplicates Z: 11 22.646 2.250 0.754 0.719 1.000 0.600 CA 1.488 12 residues pruned to eliminate duplicates Z: 39 26.817 2.076 0.623 0.495 0.921 0.658 CA 1.408 39 residues pruned to eliminate duplicates Z: 40 21.218 2.024 0.553 0.381 0.846 0.513 CA 1.450 40 residues pruned to eliminate duplicates Z: 38 26.970 2.109 0.641 0.495 0.865 0.595 CA 1.488 38 residues pruned to eliminate duplicates Z: 9 9.276 1.932 0.474 0.480 0.875 0.625 CA 1.342 11 residues pruned to eliminate duplicates Z: 8 7.389 1.733 0.514 0.610 0.714 0.429 CA 1.341 8 residues pruned to eliminate duplicates Z: 7 11.992 1.989 0.901 0.445 1.000 0.500 CB 1.371 9 residues pruned to eliminate duplicates Z: 6 5.798 1.742 0.845 0.424 1.000 0.200 CA 0.873 6 residues pruned to eliminate duplicates Z: 6 7.327 2.059 0.767 0.359 0.800 0.400 CA 1.310 6 residues pruned to eliminate duplicates Z: 10 10.956 1.821 0.713 0.465 0.889 0.333 CB 1.365 7 residues pruned to eliminate duplicates Z: 7 5.545 1.478 0.769 0.492 1.000 0.333 CA 0.872 7 residues pruned to eliminate duplicates Z: 28 13.680 2.052 0.685 0.271 0.741 0.407 CB 1.334 26 residues pruned to eliminate duplicates 6 1.419 1.366 0.734 0.120 0.800 0.200 CA 0.540 ? Z: 6 5.879 1.811 0.684 0.472 0.800 0.400 CA 1.109 6 residues pruned to eliminate duplicates Z: 25 11.716 2.010 0.603 0.338 0.792 0.333 CB 1.119 25 residues pruned to eliminate duplicates Z: 24 15.159 2.031 0.720 0.387 0.739 0.391 CB 1.380 24 residues pruned to eliminate duplicates Z: 21 13.012 2.080 0.625 0.315 0.850 0.450 CB 1.243 21 residues pruned to eliminate duplicates Z: 22 13.525 2.120 0.490 0.389 0.810 0.429 CB 1.298 22 residues pruned to eliminate duplicates Z: 11 10.822 1.945 0.499 0.543 0.900 0.500 CB 1.250 11 residues pruned to eliminate duplicates Z: 24 15.186 2.088 0.713 0.348 0.826 0.435 CB 1.265 24 residues pruned to eliminate duplicates Z: 33 14.323 1.998 0.527 0.348 0.781 0.406 CB 1.253 33 residues pruned to eliminate duplicates Z: 20 11.644 2.040 0.478 0.430 0.737 0.526 CB 1.292 20 residues pruned to eliminate duplicates Z: 28 13.539 2.077 0.632 0.389 0.741 0.481 CB 1.166 28 residues pruned to eliminate duplicates Z: 17 7.221 1.907 0.320 0.388 0.750 0.250 CB 1.078 17 residues pruned to eliminate duplicates Z: 10 5.951 2.085 0.354 0.275 0.556 0.222 CA 1.631 10 residues pruned to eliminate duplicates Z: 20 12.600 1.912 0.356 0.429 0.895 0.368 CB 1.342 18 residues pruned to eliminate duplicates Z: 6 4.234 1.521 0.809 0.271 0.800 0.400 CA 1.117 Z: 42 17.431 2.007 0.463 0.347 0.805 0.366 CB 1.359 40 residues pruned to eliminate duplicates Z: 6 3.594 1.754 0.560 0.299 0.600 0.400 CA 1.225 6 residues pruned to eliminate duplicates Z: 20 10.364 1.986 0.456 0.314 0.737 0.368 CA 1.372 20 residues pruned to eliminate duplicates Z: 15 9.098 1.891 0.618 0.244 0.786 0.357 CA 1.360 13 residues pruned to eliminate duplicates Z: 8 3.941 1.268 0.850 0.437 0.857 0.429 CA 0.791 8 residues pruned to eliminate duplicates Z: 43 18.519 2.005 0.567 0.325 0.786 0.357 CB 1.402 48 residues pruned to eliminate duplicates Z: 11 8.540 1.737 0.213 0.638 1.000 0.600 CB 1.127 11 residues pruned to eliminate duplicates Z: 11 5.760 1.552 0.311 0.635 0.900 0.400 CA 0.877 11 residues pruned to eliminate duplicates Z: 16 6.645 1.721 0.338 0.355 0.800 0.400 CA 1.089 16 residues pruned to eliminate duplicates Z: 15 5.002 1.794 0.055 0.385 0.786 0.429 CB 1.016 15 residues pruned to eliminate duplicates Z: 15 8.324 1.784 0.152 0.600 0.857 0.500 CB 1.149 14 residues pruned to eliminate duplicates Z: 6 8.462 1.779 0.757 0.783 1.000 0.800 CA 0.943 6 residues pruned to eliminate duplicates Z: 16 11.791 1.825 0.555 0.509 0.933 0.467 CB 1.139 17 residues pruned to eliminate duplicates Z: 9 7.854 1.642 0.317 0.585 1.000 0.875 CA 1.183 9 residues pruned to eliminate duplicates Z: 17 10.496 1.767 0.409 0.506 0.938 0.438 CB 1.118 17 residues pruned to eliminate duplicates Z: 7 5.558 1.834 0.247 0.465 0.833 0.333 CB 1.234 7 residues pruned to eliminate duplicates Z: 9 5.469 1.812 0.374 0.345 0.750 0.500 CB 1.227 9 residues pruned to eliminate duplicates Z: 10 7.664 1.914 0.429 0.275 0.889 0.444 CB 1.355 10 residues pruned to eliminate duplicates Z: 10 9.487 1.835 0.594 0.307 1.000 0.556 CB 1.339 10 residues pruned to eliminate duplicates Z: 9 9.588 1.965 0.648 0.395 0.875 0.375 CA 1.337 Z: 7 8.549 2.202 0.688 0.380 0.833 0.333 CA 1.280 9 residues pruned to eliminate duplicates Z: 6 5.215 1.559 0.695 0.483 1.000 0.400 CA 0.898 6 residues pruned to eliminate duplicates Z: 10 4.844 1.997 0.247 0.157 0.778 0.444 CA 1.268 8 residues pruned to eliminate duplicates 7 1.829 1.503 0.301 0.506 0.500 0.000 CB 0.760 ? Z: 6 3.882 1.914 0.371 0.329 0.600 0.200 CB 1.330 6 residues pruned to eliminate duplicates Z: 24 16.563 2.101 0.470 0.389 0.826 0.435 CA 1.523 24 residues pruned to eliminate duplicates Z: 25 20.387 2.087 0.552 0.396 0.917 0.500 CA 1.564 46 residues pruned to eliminate duplicates Z: 24 19.812 2.078 0.602 0.396 0.870 0.435 CA 1.593 24 residues pruned to eliminate duplicates Z: 11 7.073 2.023 0.508 0.291 0.700 0.200 CA 1.324 11 residues pruned to eliminate duplicates Z: 21 7.722 1.737 0.660 0.212 0.750 0.250 CB 1.122 21 residues pruned to eliminate duplicates Z: 21 18.590 2.039 0.440 0.412 0.950 0.550 CA 1.635 21 residues pruned to eliminate duplicates Z: 25 18.350 2.039 0.533 0.385 0.958 0.500 CA 1.413 25 residues pruned to eliminate duplicates Z: 25 20.066 2.083 0.524 0.411 0.958 0.542 CA 1.478 25 residues pruned to eliminate duplicates Z: 22 16.407 2.028 0.470 0.428 0.905 0.571 CB 1.432 22 residues pruned to eliminate duplicates Z: 24 17.167 2.039 0.639 0.372 0.913 0.565 CA 1.346 24 residues pruned to eliminate duplicates Z: 24 15.498 2.079 0.469 0.379 0.783 0.478 CA 1.538 24 residues pruned to eliminate duplicates Z: 24 19.855 2.105 0.573 0.421 0.870 0.435 CA 1.561 24 residues pruned to eliminate duplicates Z: 24 19.129 2.106 0.506 0.410 0.870 0.609 CA 1.588 24 residues pruned to eliminate duplicates Z: 23 14.466 2.056 0.438 0.378 0.773 0.500 CA 1.537 23 residues pruned to eliminate duplicates Z: 12 12.142 2.015 0.251 0.540 0.909 0.545 CB 1.536 12 residues pruned to eliminate duplicates Z: 45 28.575 2.008 0.545 0.492 0.932 0.523 CB 1.502 73 residues pruned to eliminate duplicates Z: 25 18.453 2.050 0.430 0.444 0.917 0.458 CB 1.485 Z: 13 9.268 1.749 0.268 0.641 0.917 0.500 CB 1.153 12 residues pruned to eliminate duplicates Z: 12 19.909 1.812 0.799 0.785 1.000 0.545 CB 1.433 12 residues pruned to eliminate duplicates Z: 13 12.602 1.940 0.364 0.555 0.833 0.500 CA 1.563 13 residues pruned to eliminate duplicates Z: 24 13.720 1.745 0.381 0.470 0.913 0.261 CA 1.341 19 residues pruned to eliminate duplicates Z: 11 14.110 1.889 0.319 0.792 1.000 0.500 CA 1.386 11 residues pruned to eliminate duplicates Z: 63 41.380 2.052 0.667 0.593 0.952 0.597 CA 1.476 69 residues pruned to eliminate duplicates Z: 9 13.671 1.863 0.688 0.793 0.875 0.625 CA 1.359 9 residues pruned to eliminate duplicates Z: 7 14.146 1.907 0.506 0.800 1.000 0.500 CA 1.548 7 residues pruned to eliminate duplicates Z: 20 11.258 1.864 0.443 0.414 0.789 0.316 CA 1.331 16 residues pruned to eliminate duplicates Z: 13 11.067 1.817 0.189 0.609 1.000 0.333 CB 1.333 13 residues pruned to eliminate duplicates Z: 31 18.276 2.006 0.460 0.393 0.900 0.400 CA 1.417 33 residues pruned to eliminate duplicates Z: 6 2.914 1.615 0.217 0.410 0.600 0.000 CA 1.215 6 residues pruned to eliminate duplicates Z: 29 17.256 2.026 0.571 0.383 0.821 0.536 CA 1.412 29 residues pruned to eliminate duplicates Z: 14 10.831 1.980 0.613 0.404 0.769 0.462 CA 1.352 14 residues pruned to eliminate duplicates Z: 45 37.690 2.111 0.584 0.622 0.955 0.682 CA 1.587 45 residues pruned to eliminate duplicates Z: 40 22.740 2.026 0.583 0.448 0.897 0.538 CA 1.335 40 residues pruned to eliminate duplicates Z: 40 34.062 2.062 0.626 0.624 0.923 0.667 CA 1.568 40 residues pruned to eliminate duplicates Z: 13 11.069 1.954 0.761 0.410 0.833 0.667 CA 1.224 13 residues pruned to eliminate duplicates Z: 22 21.425 2.131 0.689 0.447 0.952 0.667 CA 1.441 22 residues pruned to eliminate duplicates Z: 41 46.055 2.146 0.709 0.688 1.000 0.800 CA 1.670 41 residues pruned to eliminate duplicates Z: 9 7.217 1.486 0.988 0.423 0.750 0.500 CA 1.248 9 residues pruned to eliminate duplicates Z: 17 18.668 1.939 0.981 0.383 0.875 0.500 CA 1.573 17 residues pruned to eliminate duplicates Z: 29 34.506 2.161 0.675 0.682 0.929 0.714 CA 1.641 29 residues pruned to eliminate duplicates Z: 12 14.758 2.080 0.659 0.505 0.909 0.727 CA 1.411 12 residues pruned to eliminate duplicates Z: 36 40.408 2.141 0.708 0.706 0.943 0.743 CA 1.643 36 residues pruned to eliminate duplicates Z: 24 37.754 2.154 0.714 0.814 0.957 0.696 CB 1.697 24 residues pruned to eliminate duplicates Z: 33 31.126 2.032 0.638 0.655 0.906 0.562 CB 1.580 33 residues pruned to eliminate duplicates Z: 32 31.836 2.095 0.700 0.583 0.903 0.548 CA 1.641 32 residues pruned to eliminate duplicates Z: 33 39.309 2.098 0.677 0.739 0.969 0.719 CA 1.645 33 residues pruned to eliminate duplicates Z: 31 30.558 2.047 0.523 0.689 0.933 0.567 CA 1.612 31 residues pruned to eliminate duplicates Z: 37 42.265 2.098 0.848 0.676 0.917 0.639 CB 1.686 37 residues pruned to eliminate duplicates Z: 11 28.016 2.230 0.699 0.906 0.900 0.400 CB 1.847 11 residues pruned to eliminate duplicates Z: 49 34.427 2.024 0.644 0.589 0.917 0.562 CA 1.496 49 residues pruned to eliminate duplicates Z: 19 31.394 2.200 0.672 0.773 0.944 0.556 CB 1.674 19 residues pruned to eliminate duplicates Z: 30 37.497 2.061 0.825 0.602 1.000 0.552 CB 1.680 30 residues pruned to eliminate duplicates Z: 43 40.182 2.115 0.738 0.632 0.929 0.595 CA 1.604 43 residues pruned to eliminate duplicates Z: 37 35.790 2.037 0.724 0.660 0.889 0.472 CB 1.647 37 residues pruned to eliminate duplicates Z: 36 34.065 2.065 0.689 0.685 0.886 0.514 CB 1.574 36 residues pruned to eliminate duplicates Z: 37 43.035 2.118 0.876 0.690 0.917 0.611 CB 1.655 37 residues pruned to eliminate duplicates Z: 23 45.128 2.124 0.883 0.894 1.000 0.636 CB 1.727 23 residues pruned to eliminate duplicates Z: 23 44.193 2.108 0.840 0.918 1.000 0.500 CB 1.714 23 residues pruned to eliminate duplicates Z: 35 31.187 2.082 0.662 0.667 0.824 0.471 CA 1.608 35 residues pruned to eliminate duplicates Z: 36 40.792 2.099 0.807 0.697 0.914 0.486 CB 1.661 36 residues pruned to eliminate duplicates Z: 36 32.814 2.102 0.752 0.673 0.829 0.514 CB 1.549 36 residues pruned to eliminate duplicates Z: 35 40.277 2.092 0.813 0.707 0.912 0.500 CA 1.656 35 residues pruned to eliminate duplicates Z: 25 32.527 2.152 0.657 0.773 0.875 0.333 CB 1.671 25 residues pruned to eliminate duplicates Z: 36 31.934 2.037 0.732 0.689 0.829 0.486 CB 1.552 36 residues pruned to eliminate duplicates Z: 12 11.463 2.130 0.722 0.423 0.727 0.545 CB 1.403 14 residues pruned to eliminate duplicates Z: 11 11.713 2.078 0.703 0.444 0.900 0.600 CB 1.232 13 residues pruned to eliminate duplicates Z: 13 11.893 2.085 0.641 0.471 0.833 0.500 CB 1.240 12 residues pruned to eliminate duplicates Z: 6 6.633 1.783 0.893 0.324 0.800 0.400 C 1.333 6 residues pruned to eliminate duplicates Z: 36 20.573 2.095 0.421 0.469 0.857 0.314 CB 1.407 36 residues pruned to eliminate duplicates Z: 13 10.734 2.085 0.536 0.375 0.750 0.333 CB 1.474 13 residues pruned to eliminate duplicates Z: 14 10.643 2.025 0.413 0.322 0.846 0.462 CB 1.485 12 residues pruned to eliminate duplicates Z: 6 4.270 1.814 0.496 0.229 0.600 0.200 CA 1.609 6 residues pruned to eliminate duplicates Z: 49 37.391 2.143 0.507 0.597 0.958 0.646 CA 1.590 49 residues pruned to eliminate duplicates Z: 52 39.935 2.203 0.522 0.606 0.922 0.686 CA 1.636 52 residues pruned to eliminate duplicates Z: 28 27.123 2.144 0.590 0.574 0.926 0.704 CA 1.539 28 residues pruned to eliminate duplicates Z: 66 45.257 2.171 0.695 0.548 0.923 0.585 CB 1.578 86 residues pruned to eliminate duplicates Z: 23 41.622 2.271 0.830 0.813 1.000 0.682 CA 1.627 23 residues pruned to eliminate duplicates Z: 47 40.558 2.131 0.606 0.635 0.978 0.652 CA 1.574 47 residues pruned to eliminate duplicates Z: 43 43.772 2.193 0.622 0.678 1.000 0.714 CA 1.612 43 residues pruned to eliminate duplicates Z: 57 42.188 2.164 0.658 0.558 0.911 0.464 CA 1.631 57 residues pruned to eliminate duplicates Z: 74 50.956 2.204 0.741 0.529 0.932 0.575 CA 1.622 74 residues pruned to eliminate duplicates Z: 59 40.672 2.152 0.657 0.561 0.948 0.690 CB 1.489 59 residues pruned to eliminate duplicates Z: 50 42.260 2.215 0.614 0.634 0.898 0.490 CA 1.658 50 residues pruned to eliminate duplicates Z: 39 39.813 2.188 0.691 0.631 0.974 0.447 CA 1.585 39 residues pruned to eliminate duplicates Z: 72 51.777 2.243 0.679 0.548 0.944 0.549 CA 1.650 72 residues pruned to eliminate duplicates Z: 72 51.195 2.241 0.766 0.525 0.915 0.465 CA 1.636 72 residues pruned to eliminate duplicates Z: 53 41.334 2.220 0.574 0.595 0.923 0.558 CA 1.623 52 residues pruned to eliminate duplicates Z: 21 41.586 2.267 0.844 0.854 0.950 0.400 CA 1.729 21 residues pruned to eliminate duplicates Z: 46 45.936 2.183 0.781 0.659 0.978 0.533 CA 1.554 46 residues pruned to eliminate duplicates Z: 54 46.509 2.179 0.709 0.627 0.962 0.547 CB 1.582 54 residues pruned to eliminate duplicates Z: 21 45.158 2.223 1.026 0.880 0.950 0.500 CB 1.710 31 residues pruned to eliminate duplicates Z: 18 38.570 2.252 1.007 0.858 0.941 0.588 CA 1.619 18 residues pruned to eliminate duplicates Z: 45 43.012 2.202 0.730 0.630 0.955 0.432 CB 1.577 45 residues pruned to eliminate duplicates Z: 39 36.786 2.182 0.782 0.659 0.895 0.553 CA 1.481 39 residues pruned to eliminate duplicates Z: 74 43.825 2.130 0.660 0.520 0.890 0.534 CA 1.597 68 residues pruned to eliminate duplicates Z: 22 45.039 2.314 0.970 0.838 0.952 0.524 CA 1.692 22 residues pruned to eliminate duplicates Z: 33 37.150 2.195 0.657 0.719 0.938 0.500 CA 1.580 33 residues pruned to eliminate duplicates Z: 46 47.650 2.215 0.782 0.630 1.000 0.489 CA 1.593 46 residues pruned to eliminate duplicates Z: 53 46.225 2.208 0.669 0.604 0.981 0.538 CA 1.606 53 residues pruned to eliminate duplicates Z: 48 42.633 2.148 0.750 0.592 0.957 0.489 CA 1.583 48 residues pruned to eliminate duplicates Z: 48 41.485 2.111 0.834 0.613 0.894 0.426 CA 1.572 48 residues pruned to eliminate duplicates Z: 62 44.546 2.194 0.812 0.527 0.852 0.508 CB 1.639 62 residues pruned to eliminate duplicates Z: 18 22.882 2.112 0.755 0.502 0.941 0.412 CA 1.588 18 residues pruned to eliminate duplicates Z: 42 38.307 2.123 0.742 0.589 0.951 0.537 CA 1.562 42 residues pruned to eliminate duplicates Z: 65 45.575 2.183 0.669 0.559 0.922 0.516 CB 1.602 65 residues pruned to eliminate duplicates Z: 63 44.183 2.167 0.730 0.562 0.919 0.532 CB 1.534 63 residues pruned to eliminate duplicates Z: 53 43.858 2.196 0.649 0.621 0.962 0.462 CA 1.559 53 residues pruned to eliminate duplicates Z: 35 47.018 2.245 0.811 0.720 0.971 0.588 CB 1.675 35 residues pruned to eliminate duplicates Z: 50 36.949 2.136 0.608 0.600 0.878 0.367 CA 1.592 50 residues pruned to eliminate duplicates Z: 47 45.075 2.227 0.699 0.616 0.978 0.522 CB 1.608 47 residues pruned to eliminate duplicates Z: 67 43.962 2.167 0.677 0.545 0.909 0.470 CB 1.567 67 residues pruned to eliminate duplicates Z: 64 51.202 2.234 0.857 0.552 0.921 0.429 CB 1.604 64 residues pruned to eliminate duplicates Z: 54 40.660 2.186 0.710 0.600 0.887 0.472 CA 1.532 54 residues pruned to eliminate duplicates Z: 75 51.770 2.204 0.786 0.545 0.919 0.486 CB 1.592 75 residues pruned to eliminate duplicates Z: 56 42.723 2.128 0.701 0.567 0.964 0.545 CA 1.547 56 residues pruned to eliminate duplicates Z: 75 50.040 2.190 0.800 0.531 0.905 0.486 CA 1.580 75 residues pruned to eliminate duplicates Z: 74 49.796 2.210 0.751 0.523 0.918 0.562 CA 1.604 74 residues pruned to eliminate duplicates Z: 70 50.251 2.243 0.742 0.536 0.913 0.551 CA 1.636 70 residues pruned to eliminate duplicates Z: 37 29.723 2.231 0.749 0.417 0.889 0.583 CB 1.557 37 residues pruned to eliminate duplicates Z: 60 43.418 2.199 0.716 0.541 0.915 0.542 CA 1.572 60 residues pruned to eliminate duplicates Z: 75 48.189 2.205 0.637 0.540 0.946 0.595 CB 1.577 75 residues pruned to eliminate duplicates Z: 75 48.387 2.199 0.691 0.532 0.919 0.554 CA 1.595 75 residues pruned to eliminate duplicates Z: 23 19.442 2.208 0.638 0.312 0.955 0.545 CA 1.480 23 residues pruned to eliminate duplicates Z: 75 45.866 2.192 0.649 0.519 0.919 0.581 CA 1.576 75 residues pruned to eliminate duplicates Z: 62 51.649 2.258 0.860 0.579 0.918 0.508 CB 1.589 62 residues pruned to eliminate duplicates Z: 25 22.598 2.155 0.756 0.383 0.917 0.583 CA 1.506 25 residues pruned to eliminate duplicates Z: 71 43.932 2.204 0.709 0.481 0.871 0.457 CB 1.631 71 residues pruned to eliminate duplicates Z: 15 18.189 2.140 0.700 0.429 0.929 0.571 CB 1.549 15 residues pruned to eliminate duplicates Z: 24 22.733 2.212 0.842 0.312 0.913 0.652 CB 1.568 24 residues pruned to eliminate duplicates Z: 61 50.614 2.270 0.809 0.565 0.917 0.583 CB 1.630 61 residues pruned to eliminate duplicates Z: 77 47.762 2.180 0.643 0.531 0.934 0.553 CA 1.587 77 residues pruned to eliminate duplicates Z: 23 17.432 2.204 0.743 0.336 0.818 0.500 CA 1.414 23 residues pruned to eliminate duplicates Z: 22 20.998 2.194 0.933 0.309 0.857 0.476 CA 1.559 22 residues pruned to eliminate duplicates Z: 25 19.226 2.158 0.643 0.337 0.875 0.583 CA 1.511 25 residues pruned to eliminate duplicates Z: 24 19.726 2.162 0.755 0.336 0.870 0.478 CA 1.491 24 residues pruned to eliminate duplicates Z: 14 13.000 2.095 0.614 0.450 0.769 0.538 CB 1.460 14 residues pruned to eliminate duplicates Z: 76 44.495 2.159 0.727 0.528 0.867 0.453 CA 1.546 76 residues pruned to eliminate duplicates Z: 51 32.843 2.088 0.448 0.568 0.920 0.580 CB 1.563 50 residues pruned to eliminate duplicates Z: 6 2.185 1.275 0.294 0.420 0.800 0.600 O 0.805 Z: 62 32.708 2.105 0.463 0.497 0.852 0.557 CA 1.600 68 residues pruned to eliminate duplicates Z: 106 49.340 2.142 0.562 0.550 0.886 0.505 CB 1.548 106 residues pruned to eliminate duplicates Z: 35 25.055 2.164 0.580 0.366 0.941 0.559 CA 1.541 35 residues pruned to eliminate duplicates Z: 23 11.948 1.745 0.619 0.318 0.864 0.409 CB 1.276 23 residues pruned to eliminate duplicates Z: 33 20.830 2.102 0.292 0.604 0.812 0.500 CB 1.512 33 residues pruned to eliminate duplicates Z: 32 27.062 2.067 0.508 0.648 0.903 0.613 CB 1.504 32 residues pruned to eliminate duplicates Z: 34 30.934 2.127 0.640 0.668 0.879 0.606 CB 1.503 34 residues pruned to eliminate duplicates Z: 37 31.875 2.120 0.503 0.656 0.889 0.556 CB 1.623 37 residues pruned to eliminate duplicates Z: 32 23.437 2.036 0.457 0.626 0.935 0.548 CB 1.347 32 residues pruned to eliminate duplicates Z: 103 55.112 2.168 0.663 0.547 0.882 0.490 CA 1.640 103 residues pruned to eliminate duplicates Z: 53 37.838 2.143 0.546 0.543 0.962 0.577 CB 1.579 53 residues pruned to eliminate duplicates Z: 40 32.159 2.060 0.641 0.609 0.872 0.538 CB 1.576 40 residues pruned to eliminate duplicates Z: 40 24.458 2.025 0.598 0.516 0.872 0.462 CB 1.365 40 residues pruned to eliminate duplicates Z: 26 27.911 2.176 0.580 0.738 0.800 0.640 CB 1.640 26 residues pruned to eliminate duplicates Z: 26 25.529 2.092 0.592 0.724 0.960 0.560 CB 1.304 26 residues pruned to eliminate duplicates Z: 40 28.047 2.028 0.495 0.573 0.897 0.513 CB 1.539 40 residues pruned to eliminate duplicates Z: 33 27.603 2.071 0.563 0.634 0.875 0.594 CB 1.520 33 residues pruned to eliminate duplicates Z: 29 24.882 2.054 0.510 0.640 0.893 0.500 CB 1.490 29 residues pruned to eliminate duplicates Z: 100 49.962 2.125 0.644 0.504 0.889 0.485 CB 1.611 100 residues pruned to eliminate duplicates Z: 41 30.433 2.019 0.650 0.605 0.850 0.425 CB 1.538 49 residues pruned to eliminate duplicates Z: 40 27.783 2.044 0.501 0.594 0.872 0.487 CB 1.521 40 residues pruned to eliminate duplicates Z: 39 28.803 2.062 0.603 0.623 0.868 0.395 CB 1.449 39 residues pruned to eliminate duplicates Z: 37 30.547 2.100 0.564 0.638 0.889 0.500 CB 1.532 37 residues pruned to eliminate duplicates Z: 38 31.476 2.089 0.553 0.641 0.919 0.486 CB 1.521 38 residues pruned to eliminate duplicates Z: 82 30.991 1.991 0.552 0.462 0.852 0.432 CB 1.361 90 residues pruned to eliminate duplicates Z: 41 21.673 2.026 0.469 0.552 0.775 0.350 CB 1.413 41 residues pruned to eliminate duplicates Z: 13 8.418 1.866 0.277 0.387 0.833 0.500 N 1.380 13 residues pruned to eliminate duplicates Z: 10 8.841 2.036 0.450 0.382 0.778 0.444 CB 1.455 10 residues pruned to eliminate duplicates Z: 11 7.653 1.951 0.413 0.356 0.700 0.400 N 1.466 11 residues pruned to eliminate duplicates Z: 7 5.527 1.894 0.111 0.446 0.833 0.667 CA 1.360 Z: 6 6.215 1.700 0.537 0.437 1.000 0.600 CB 1.135 14 residues pruned to eliminate duplicates Z: 7 5.168 1.601 1.126 0.218 0.667 0.333 C 1.294 7 residues pruned to eliminate duplicates Z: 50 32.958 2.076 0.475 0.653 0.959 0.694 CB 1.391 50 residues pruned to eliminate duplicates Z: 34 31.683 2.097 0.499 0.677 1.000 0.545 CA 1.491 35 residues pruned to eliminate duplicates Z: 6 3.879 1.490 0.686 0.306 0.800 0.800 CA 1.071 6 residues pruned to eliminate duplicates Z: 20 13.451 1.908 0.446 0.435 0.895 0.632 CB 1.337 20 residues pruned to eliminate duplicates Z: 30 22.426 1.970 0.411 0.671 1.000 0.724 CA 1.279 30 residues pruned to eliminate duplicates Z: 17 14.950 1.980 0.496 0.585 0.875 0.438 CB 1.330 17 residues pruned to eliminate duplicates Z: 27 24.507 2.062 0.422 0.737 1.000 0.731 CA 1.325 27 residues pruned to eliminate duplicates Z: 34 31.666 2.114 0.536 0.680 1.000 0.697 CB 1.439 34 residues pruned to eliminate duplicates Z: 33 25.187 2.085 0.410 0.620 0.969 0.625 CB 1.397 33 residues pruned to eliminate duplicates Z: 23 20.490 2.053 0.538 0.696 0.955 0.636 CA 1.212 23 residues pruned to eliminate duplicates Z: 33 29.842 2.140 0.574 0.661 0.938 0.562 CA 1.439 33 residues pruned to eliminate duplicates Z: 30 21.237 2.059 0.275 0.669 0.966 0.655 CA 1.331 30 residues pruned to eliminate duplicates Z: 19 20.983 2.082 0.466 0.860 1.000 0.722 CA 1.192 19 residues pruned to eliminate duplicates Z: 21 14.813 1.913 0.313 0.713 1.000 0.700 CA 1.087 21 residues pruned to eliminate duplicates Z: 50 36.318 2.064 0.572 0.637 0.980 0.612 CB 1.435 50 residues pruned to eliminate duplicates Z: 41 28.506 2.004 0.536 0.651 0.950 0.650 CB 1.340 41 residues pruned to eliminate duplicates Z: 26 23.706 1.957 0.577 0.723 0.960 0.440 CA 1.308 26 residues pruned to eliminate duplicates Z: 51 36.363 2.053 0.601 0.664 0.980 0.580 CA 1.372 51 residues pruned to eliminate duplicates Z: 18 24.647 2.087 0.622 0.864 0.941 0.706 CA 1.375 18 residues pruned to eliminate duplicates Z: 18 23.317 2.092 0.553 0.854 1.000 0.824 CA 1.285 18 residues pruned to eliminate duplicates Z: 13 20.338 1.992 0.720 0.824 0.833 0.583 CA 1.553 13 residues pruned to eliminate duplicates Z: 25 27.274 2.032 0.621 0.726 1.000 0.583 CA 1.378 25 residues pruned to eliminate duplicates Z: 14 17.250 2.019 0.567 0.895 0.923 0.615 CA 1.175 14 residues pruned to eliminate duplicates Z: 62 39.254 2.063 0.565 0.596 0.918 0.607 CB 1.548 62 residues pruned to eliminate duplicates Z: 7 4.318 1.776 0.117 0.380 0.833 0.167 CB 1.212 7 residues pruned to eliminate duplicates Z: 17 19.906 2.094 0.666 0.583 1.000 0.500 CB 1.316 17 residues pruned to eliminate duplicates Z: 27 21.321 1.967 0.625 0.575 0.962 0.538 CB 1.265 27 residues pruned to eliminate duplicates Z: 17 18.860 2.042 0.914 0.627 1.000 0.562 CB 1.070 17 residues pruned to eliminate duplicates Z: 17 19.603 2.057 0.621 0.636 1.000 0.688 CB 1.294 17 residues pruned to eliminate duplicates Z: 53 25.330 2.002 0.471 0.495 0.885 0.481 CB 1.355 53 residues pruned to eliminate duplicates Z: 19 21.159 1.998 0.885 0.686 0.944 0.500 CB 1.182 19 residues pruned to eliminate duplicates Z: 41 35.148 2.004 0.771 0.711 0.975 0.525 CB 1.326 41 residues pruned to eliminate duplicates Z: 18 18.082 2.044 0.657 0.642 1.000 0.588 CB 1.134 18 residues pruned to eliminate duplicates Z: 17 16.734 2.015 0.454 0.610 1.000 0.500 CB 1.286 17 residues pruned to eliminate duplicates Z: 17 17.958 2.056 0.616 0.609 1.000 0.562 CB 1.218 17 residues pruned to eliminate duplicates Z: 46 35.580 2.043 0.673 0.697 0.933 0.600 CB 1.389 46 residues pruned to eliminate duplicates Z: 49 29.823 2.050 0.562 0.505 0.917 0.562 CB 1.459 49 residues pruned to eliminate duplicates Z: 18 16.581 2.023 0.476 0.560 1.000 0.706 CB 1.271 18 residues pruned to eliminate duplicates Z: 18 17.171 2.001 0.426 0.605 1.000 0.647 CB 1.321 18 residues pruned to eliminate duplicates Z: 32 21.858 2.082 0.431 0.420 0.871 0.516 CB 1.644 32 residues pruned to eliminate duplicates Z: 61 36.305 2.064 0.563 0.566 0.917 0.550 CA 1.487 61 residues pruned to eliminate duplicates Z: 34 22.731 1.992 0.584 0.422 0.848 0.485 CA 1.605 34 residues pruned to eliminate duplicates Z: 33 23.634 2.085 0.442 0.438 0.906 0.500 CB 1.634 33 residues pruned to eliminate duplicates Z: 77 35.509 2.030 0.499 0.538 0.895 0.434 CA 1.442 77 residues pruned to eliminate duplicates Z: 80 42.677 2.049 0.604 0.524 0.949 0.519 CB 1.502 80 residues pruned to eliminate duplicates Z: 46 26.614 2.005 0.536 0.503 0.844 0.578 CB 1.521 46 residues pruned to eliminate duplicates Z: 15 8.035 1.978 0.127 0.266 0.929 0.429 CA 1.354 15 residues pruned to eliminate duplicates Z: 60 39.634 2.043 0.618 0.576 0.983 0.610 CB 1.475 60 residues pruned to eliminate duplicates Z: 50 29.163 2.051 0.524 0.492 0.898 0.571 CB 1.497 50 residues pruned to eliminate duplicates Z: 28 19.664 1.982 0.452 0.404 0.926 0.444 CA 1.571 28 residues pruned to eliminate duplicates Z: 51 27.242 2.009 0.500 0.477 0.900 0.480 CB 1.453 51 residues pruned to eliminate duplicates Z: 79 37.993 2.045 0.573 0.523 0.936 0.474 CB 1.397 79 residues pruned to eliminate duplicates Z: 31 19.831 2.052 0.514 0.431 0.833 0.500 CA 1.502 31 residues pruned to eliminate duplicates Z: 27 20.028 2.049 0.530 0.368 0.923 0.462 CB 1.564 27 residues pruned to eliminate duplicates Z: 31 24.728 2.110 0.516 0.444 0.900 0.467 CB 1.661 31 residues pruned to eliminate duplicates Z: 65 39.905 2.076 0.538 0.597 0.938 0.516 CA 1.520 65 residues pruned to eliminate duplicates Z: 48 30.998 2.043 0.544 0.515 0.936 0.553 CB 1.508 48 residues pruned to eliminate duplicates Z: 44 29.777 2.052 0.722 0.460 0.907 0.512 CB 1.476 44 residues pruned to eliminate duplicates Z: 22 19.294 2.121 0.482 0.507 0.810 0.619 CB 1.642 22 residues pruned to eliminate duplicates Z: 50 30.224 2.040 0.574 0.500 0.939 0.592 CB 1.432 50 residues pruned to eliminate duplicates Z: 10 11.317 1.942 0.640 0.650 0.778 0.556 CB 1.325 10 residues pruned to eliminate duplicates Z: 33 21.076 1.981 0.572 0.449 0.844 0.562 CA 1.495 33 residues pruned to eliminate duplicates Z: 51 27.893 2.018 0.487 0.512 0.880 0.520 CB 1.476 49 residues pruned to eliminate duplicates Z: 10 18.118 1.808 0.963 0.830 1.000 0.889 CA 1.279 14 residues pruned to eliminate duplicates Z: 11 16.666 1.720 0.907 0.784 1.000 0.700 CA 1.251 11 residues pruned to eliminate duplicates Z: 23 19.675 2.012 0.545 0.476 0.909 0.682 CA 1.521 23 residues pruned to eliminate duplicates Z: 7 2.575 1.539 0.562 0.083 0.667 0.333 CA 1.125 4 residues pruned to eliminate duplicates Z: 10 13.366 1.957 0.733 0.791 0.889 0.889 CA 1.145 10 residues pruned to eliminate duplicates Z: 7 5.303 1.978 0.874 0.171 0.667 0.333 CA 1.306 5 residues pruned to eliminate duplicates Z: 6 6.769 1.754 0.639 0.318 1.000 0.400 CA 1.288 6 residues pruned to eliminate duplicates Z: 11 8.081 1.931 0.531 0.303 0.800 0.600 CB 1.345 11 residues pruned to eliminate duplicates Z: 11 7.937 1.855 0.463 0.340 0.900 0.600 CB 1.223 16 residues pruned to eliminate duplicates Z: 7 4.444 1.797 0.079 0.508 1.000 0.833 CB 0.928 7 residues pruned to eliminate duplicates Z: 15 8.518 1.939 0.122 0.470 0.929 0.357 CB 1.161 15 residues pruned to eliminate duplicates Z: 16 6.683 1.847 0.149 0.449 0.800 0.467 CB 1.071 16 residues pruned to eliminate duplicates Z: 19 7.687 1.783 0.250 0.378 0.833 0.500 CB 1.111 19 residues pruned to eliminate duplicates Z: 18 9.012 1.840 0.211 0.424 0.824 0.471 CB 1.289 18 residues pruned to eliminate duplicates Z: 14 6.345 1.891 0.110 0.418 0.923 0.538 CB 0.990 14 residues pruned to eliminate duplicates Z: 16 7.520 1.898 0.111 0.378 0.867 0.400 CB 1.210 16 residues pruned to eliminate duplicates Z: 15 8.254 1.947 0.229 0.330 0.857 0.571 CB 1.296 15 residues pruned to eliminate duplicates Z: 19 8.445 1.854 0.135 0.346 0.833 0.500 CB 1.341 19 residues pruned to eliminate duplicates Z: 15 9.155 1.799 0.413 0.474 0.857 0.500 CB 1.153 15 residues pruned to eliminate duplicates Z: 16 9.470 1.899 0.297 0.385 0.867 0.467 CB 1.294 16 residues pruned to eliminate duplicates Z: 14 7.249 1.834 0.320 0.399 0.846 0.462 CB 1.092 14 residues pruned to eliminate duplicates Z: 11 6.600 1.784 0.419 0.185 0.800 0.500 CA 1.504 11 residues pruned to eliminate duplicates Z: 16 7.164 1.844 0.205 0.345 0.867 0.467 CB 1.137 16 residues pruned to eliminate duplicates Z: 15 6.773 1.850 0.268 0.353 0.786 0.357 CB 1.151 15 residues pruned to eliminate duplicates Z: 41 20.114 1.888 0.593 0.401 0.825 0.550 CB 1.422 56 residues pruned to eliminate duplicates 590 residues left after pruning, divided into chains as follows: A: 6 B: 9 C: 7 D: 8 E: 10 F: 14 G: 10 H: 30 I: 40 J: 24 K: 37 L: 10 M: 36 N: 17 O: 9 P: 25 Q: 80 R: 11 S: 207 CC for partial structure against native data = 21.67 % ------------------------------------------------------------------------------ Global autotracing cycle 16 = 0.300, Contrast = 0.412, Connect. = 0.683 for dens.mod. cycle 1 = 0.300, Contrast = 0.473, Connect. = 0.703 for dens.mod. cycle 2 = 0.300, Contrast = 0.550, Connect. = 0.739 for dens.mod. cycle 3 = 0.300, Contrast = 0.557, Connect. = 0.743 for dens.mod. cycle 4 = 0.300, Contrast = 0.564, Connect. = 0.748 for dens.mod. cycle 5 = 0.300, Contrast = 0.569, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.573, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.576, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.578, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.578, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6792 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1210 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 4.896 1.842 0.042 0.232 0.778 0.333 CB 1.494 B: 9 10.607 1.652 0.515 0.882 1.000 0.625 O 1.084 C: 7 6.140 1.943 0.014 0.272 1.000 0.667 CB 1.649 8 residues pruned to eliminate duplicates D: 11 13.792 1.538 0.750 0.881 1.000 0.600 CB 1.173 11 residues pruned to eliminate duplicates E: 24 17.256 2.128 0.669 0.255 0.913 0.522 CA 1.470 F: 8 8.345 2.035 0.483 0.212 0.857 0.429 C 1.714 7 residues pruned to eliminate duplicates G: 16 7.107 1.837 0.288 0.287 0.867 0.267 CB 1.137 H: 18 17.111 2.088 0.364 0.776 0.941 0.588 CB 1.213 I: 22 33.488 2.112 0.393 0.882 1.000 0.762 CA 1.796 J: 16 20.984 2.214 0.210 0.893 1.000 0.867 CB 1.451 18 residues pruned to eliminate duplicates K: 18 21.472 2.204 0.108 0.871 1.000 0.765 CB 1.555 16 residues pruned to eliminate duplicates L: 10 27.179 2.176 0.748 0.920 1.000 0.889 CB 1.677 M: 22 39.963 2.162 0.826 0.909 1.000 0.667 CA 1.568 N: 11 20.251 2.042 0.526 0.860 1.000 0.800 CA 1.511 11 residues pruned to eliminate duplicates O: 19 35.753 2.255 0.987 0.896 0.944 0.667 CA 1.427 20 residues pruned to eliminate duplicates P: 22 40.219 2.166 0.854 0.903 1.000 0.762 CA 1.557 22 residues pruned to eliminate duplicates Q: 21 23.633 2.089 0.048 0.938 1.000 0.850 CB 1.678 21 residues pruned to eliminate duplicates R: 20 35.920 2.282 0.861 0.897 0.842 0.526 CA 1.649 20 residues pruned to eliminate duplicates S: 46 37.380 2.132 0.719 0.667 0.867 0.511 CB 1.503 23 residues pruned to eliminate duplicates T: 12 14.506 2.136 0.362 0.618 1.000 0.727 CB 1.344 U: 10 7.568 1.881 0.413 0.437 0.667 0.444 CB 1.520 20 residues pruned to eliminate duplicates V: 9 17.787 1.750 0.940 0.892 1.000 1.000 O 1.331 8 residues pruned to eliminate duplicates W: 18 34.563 2.167 0.575 0.914 1.000 0.824 CB 1.737 18 residues pruned to eliminate duplicates X: 21 39.498 2.195 0.782 0.910 0.950 0.700 CB 1.686 22 residues pruned to eliminate duplicates Y: 14 8.650 2.058 0.109 0.418 0.769 0.692 CB 1.488 Z: 20 8.895 1.749 0.353 0.400 0.789 0.421 CB 1.214 15 residues pruned to eliminate duplicates Z: 11 7.790 1.959 0.341 0.378 0.900 0.600 CB 1.187 Z: 13 11.112 2.005 0.254 0.760 1.000 0.667 CB 1.013 13 residues pruned to eliminate duplicates Z: 67 36.640 2.027 0.505 0.584 0.955 0.561 CB 1.429 10 residues pruned to eliminate duplicates Z: 14 15.831 2.009 0.495 0.521 0.923 0.538 CB 1.550 Z: 19 27.239 2.090 0.756 0.826 0.833 0.556 CA 1.583 19 residues pruned to eliminate duplicates Z: 22 13.210 1.870 0.471 0.340 0.857 0.524 N 1.454 Z: 17 16.592 2.115 0.074 0.826 0.938 0.875 CB 1.469 17 residues pruned to eliminate duplicates Z: 19 20.464 2.117 0.263 0.848 0.944 0.722 CB 1.417 18 residues pruned to eliminate duplicates Z: 12 28.280 2.094 1.055 0.879 1.000 0.727 CB 1.437 12 residues pruned to eliminate duplicates Z: 8 9.931 1.764 0.895 0.540 0.857 0.429 N 1.260 Z: 26 15.529 2.015 0.395 0.386 0.880 0.600 CA 1.416 Z: 21 41.624 2.251 0.766 0.908 1.000 0.700 CA 1.663 21 residues pruned to eliminate duplicates Z: 29 17.978 1.991 0.390 0.494 0.893 0.607 CB 1.384 20 residues pruned to eliminate duplicates Z: 23 28.829 2.018 0.517 0.899 0.864 0.409 CB 1.662 23 residues pruned to eliminate duplicates Z: 72 49.817 2.210 0.782 0.539 0.915 0.592 CA 1.579 68 residues pruned to eliminate duplicates Z: 20 41.787 2.277 0.841 0.920 0.947 0.632 CB 1.700 20 residues pruned to eliminate duplicates Z: 21 13.760 1.925 0.585 0.368 0.850 0.550 CA 1.367 20 residues pruned to eliminate duplicates Z: 14 21.815 1.942 0.400 0.914 1.000 0.923 CA 1.574 14 residues pruned to eliminate duplicates Z: 11 28.797 2.025 0.953 0.891 1.000 0.600 CB 1.656 11 residues pruned to eliminate duplicates Z: 22 13.996 1.923 0.648 0.387 0.810 0.381 CA 1.342 22 residues pruned to eliminate duplicates Z: 30 18.497 2.066 0.320 0.431 0.897 0.690 CB 1.510 30 residues pruned to eliminate duplicates Z: 15 15.370 2.092 0.114 0.924 1.000 0.929 CA 1.237 15 residues pruned to eliminate duplicates Z: 21 24.474 1.970 0.525 0.939 1.000 0.800 CA 1.266 21 residues pruned to eliminate duplicates Z: 19 33.690 2.151 0.505 0.930 1.000 0.944 CA 1.715 19 residues pruned to eliminate duplicates Z: 26 16.546 2.044 0.500 0.404 0.840 0.440 CB 1.422 24 residues pruned to eliminate duplicates Z: 19 23.394 2.154 0.290 0.890 1.000 0.833 CA 1.428 19 residues pruned to eliminate duplicates Z: 8 13.120 1.844 0.439 0.765 1.000 0.714 CB 1.478 Z: 34 20.738 1.949 0.524 0.551 0.848 0.485 CB 1.363 25 residues pruned to eliminate duplicates Z: 21 39.648 2.251 0.739 0.908 0.950 0.500 CA 1.693 21 residues pruned to eliminate duplicates Z: 17 23.149 2.187 0.463 0.904 0.938 0.562 CB 1.374 17 residues pruned to eliminate duplicates Z: 12 20.550 1.950 0.595 0.889 1.000 0.818 CA 1.434 12 residues pruned to eliminate duplicates Z: 13 10.713 2.102 0.238 0.465 0.750 0.500 CB 1.642 14 residues pruned to eliminate duplicates Z: 49 27.385 2.057 0.388 0.518 0.896 0.604 CB 1.519 49 residues pruned to eliminate duplicates Z: 9 19.650 2.358 0.467 0.866 1.000 0.625 CB 1.470 9 residues pruned to eliminate duplicates Z: 11 20.434 2.150 0.540 0.860 1.000 0.700 CB 1.435 11 residues pruned to eliminate duplicates Z: 22 34.931 2.157 0.600 0.903 0.952 0.619 CB 1.653 22 residues pruned to eliminate duplicates Z: 22 35.610 2.152 0.668 0.917 0.905 0.476 CB 1.688 21 residues pruned to eliminate duplicates Z: 11 22.866 1.945 0.888 0.809 0.900 0.700 N 1.672 11 residues pruned to eliminate duplicates Z: 13 9.465 1.727 0.916 0.321 0.833 0.500 CB 1.207 13 residues pruned to eliminate duplicates Z: 34 12.682 1.872 0.255 0.443 0.848 0.545 CB 1.174 34 residues pruned to eliminate duplicates Z: 11 6.500 1.720 0.069 0.653 0.900 0.800 CB 1.077 10 residues pruned to eliminate duplicates Z: 27 17.691 1.988 0.507 0.402 0.846 0.615 CA 1.517 27 residues pruned to eliminate duplicates Z: 24 13.857 1.958 0.408 0.433 0.783 0.435 CB 1.436 9 residues pruned to eliminate duplicates Z: 34 26.038 2.095 0.576 0.509 0.879 0.545 CB 1.549 34 residues pruned to eliminate duplicates Z: 18 22.437 2.133 0.623 0.861 0.824 0.529 CB 1.402 18 residues pruned to eliminate duplicates Z: 36 20.365 1.921 0.591 0.379 0.857 0.486 CA 1.495 36 residues pruned to eliminate duplicates Z: 12 15.998 2.104 0.597 0.509 0.909 0.545 CA 1.565 12 residues pruned to eliminate duplicates Z: 17 21.128 2.160 0.551 0.825 0.938 0.500 CB 1.269 17 residues pruned to eliminate duplicates Z: 21 38.658 2.218 0.782 0.881 0.950 0.800 CA 1.667 21 residues pruned to eliminate duplicates Z: 13 21.775 2.082 0.709 0.920 1.000 0.583 CA 1.244 13 residues pruned to eliminate duplicates Z: 20 8.655 1.905 0.212 0.379 0.789 0.632 CB 1.240 41 residues pruned to eliminate duplicates Z: 16 12.412 1.739 0.808 0.283 0.933 0.400 CB 1.395 Z: 21 11.658 1.980 0.554 0.405 0.850 0.550 CA 1.102 Z: 18 25.608 2.156 0.554 0.847 0.882 0.471 CA 1.560 18 residues pruned to eliminate duplicates Z: 8 4.749 1.813 0.246 0.551 0.714 0.714 CB 1.059 8 residues pruned to eliminate duplicates Z: 23 19.482 2.113 0.625 0.389 0.955 0.500 CB 1.426 24 residues pruned to eliminate duplicates Z: 22 14.335 1.900 0.734 0.340 0.857 0.524 CA 1.318 22 residues pruned to eliminate duplicates Z: 9 12.036 1.842 0.340 0.703 1.000 0.750 CA 1.433 10 residues pruned to eliminate duplicates Z: 6 9.615 2.032 0.366 0.870 1.000 0.400 CB 1.131 6 residues pruned to eliminate duplicates Z: 10 7.404 1.960 0.070 0.456 0.889 0.444 CB 1.386 Z: 16 16.964 1.862 0.367 0.850 0.867 0.533 CB 1.471 16 residues pruned to eliminate duplicates Z: 40 25.546 2.030 0.551 0.489 0.923 0.615 CA 1.424 42 residues pruned to eliminate duplicates Z: 21 38.696 2.102 0.830 0.935 1.000 0.450 CB 1.567 21 residues pruned to eliminate duplicates Z: 37 23.676 2.061 0.539 0.472 0.889 0.583 CA 1.440 39 residues pruned to eliminate duplicates Z: 39 24.340 2.001 0.552 0.493 0.868 0.579 CA 1.474 39 residues pruned to eliminate duplicates Z: 12 18.712 2.014 0.755 0.880 0.818 0.636 CB 1.413 12 residues pruned to eliminate duplicates Z: 39 29.029 2.056 0.598 0.502 0.947 0.632 CA 1.509 38 residues pruned to eliminate duplicates Z: 20 22.651 2.009 0.433 0.912 1.000 0.632 CA 1.279 20 residues pruned to eliminate duplicates Z: 23 38.595 2.082 0.791 0.919 1.000 0.773 CB 1.555 23 residues pruned to eliminate duplicates Z: 81 37.675 2.052 0.435 0.566 0.900 0.650 CB 1.491 81 residues pruned to eliminate duplicates Z: 22 38.016 2.056 0.660 0.932 1.000 0.762 CA 1.697 22 residues pruned to eliminate duplicates Z: 26 13.822 1.981 0.714 0.443 0.880 0.600 CB 0.981 Z: 22 36.353 2.136 0.760 0.906 1.000 0.810 CA 1.500 22 residues pruned to eliminate duplicates Z: 34 38.229 2.137 0.862 0.660 0.939 0.667 CA 1.534 31 residues pruned to eliminate duplicates Z: 12 10.337 2.005 0.767 0.514 0.818 0.636 CB 1.061 12 residues pruned to eliminate duplicates Z: 22 39.667 2.163 0.662 0.919 1.000 0.571 CB 1.698 22 residues pruned to eliminate duplicates Z: 25 16.986 2.002 0.520 0.357 0.917 0.542 CA 1.450 15 residues pruned to eliminate duplicates Z: 19 23.346 2.050 0.592 0.907 1.000 0.556 CA 1.199 19 residues pruned to eliminate duplicates Z: 11 15.033 1.753 0.699 0.784 1.000 0.600 CA 1.244 12 residues pruned to eliminate duplicates Z: 15 17.364 2.000 0.564 0.507 0.929 0.643 CB 1.586 15 residues pruned to eliminate duplicates Z: 8 5.222 1.884 0.012 0.507 0.857 0.571 CB 1.199 Z: 29 14.810 2.008 0.348 0.393 0.857 0.571 CB 1.352 28 residues pruned to eliminate duplicates Z: 17 19.925 2.031 0.445 0.896 1.000 0.625 CA 1.216 17 residues pruned to eliminate duplicates Z: 15 7.221 1.669 0.538 0.261 0.714 0.286 N 1.382 15 residues pruned to eliminate duplicates Z: 19 42.010 2.255 1.002 0.930 0.944 0.500 CA 1.624 19 residues pruned to eliminate duplicates Z: 12 22.366 2.023 0.716 0.873 1.000 0.818 CB 1.415 12 residues pruned to eliminate duplicates Z: 9 6.285 1.708 0.183 0.537 0.750 0.625 C 1.415 Z: 10 15.736 1.899 0.559 0.861 1.000 0.778 CA 1.302 10 residues pruned to eliminate duplicates Z: 18 6.130 1.700 0.293 0.283 0.882 0.529 CB 0.979 18 residues pruned to eliminate duplicates Z: 46 41.202 2.143 0.733 0.674 1.000 0.733 CA 1.409 46 residues pruned to eliminate duplicates Z: 8 11.324 1.816 0.414 0.702 1.000 1.000 CB 1.386 8 residues pruned to eliminate duplicates Z: 6 3.211 1.820 -0.204 0.530 0.800 0.600 CB 1.203 6 residues pruned to eliminate duplicates Z: 10 10.546 2.075 0.323 0.614 1.000 0.444 CB 1.149 10 residues pruned to eliminate duplicates Z: 7 14.338 2.079 0.607 0.673 1.000 1.000 CB 1.494 Z: 29 10.793 1.861 0.225 0.328 0.786 0.429 CB 1.376 Z: 6 2.846 1.373 -0.014 0.734 1.000 0.800 CB 0.761 6 residues pruned to eliminate duplicates Z: 6 5.865 1.607 0.455 0.609 1.000 0.400 CA 1.011 6 residues pruned to eliminate duplicates Z: 8 6.502 1.857 0.393 0.335 0.857 0.571 CA 1.327 8 residues pruned to eliminate duplicates Z: 10 9.462 2.058 0.425 0.417 0.778 0.444 CA 1.509 Z: 17 36.990 2.207 0.951 0.911 0.938 0.750 CA 1.623 17 residues pruned to eliminate duplicates Z: 21 45.859 2.225 1.000 0.848 1.000 0.450 CA 1.710 21 residues pruned to eliminate duplicates Z: 6 8.563 1.941 0.267 0.789 1.000 1.000 N 1.208 Z: 6 6.648 1.489 0.670 0.755 1.000 0.800 N 0.953 6 residues pruned to eliminate duplicates Z: 7 5.695 1.805 -0.330 0.779 1.000 0.833 O 1.502 Z: 12 9.776 1.949 0.632 0.366 0.818 0.455 CB 1.308 12 residues pruned to eliminate duplicates Z: 32 12.984 1.909 0.236 0.394 0.839 0.387 CB 1.319 28 residues pruned to eliminate duplicates Z: 10 4.231 1.652 0.599 0.372 0.667 0.333 C 0.918 Z: 23 32.832 2.095 0.546 0.872 1.000 0.636 CB 1.575 23 residues pruned to eliminate duplicates Z: 8 6.294 1.747 0.333 0.589 0.857 0.571 CB 1.095 8 residues pruned to eliminate duplicates Z: 54 46.703 2.188 0.802 0.593 0.962 0.509 CB 1.547 54 residues pruned to eliminate duplicates Z: 21 11.508 2.020 0.361 0.374 0.750 0.500 CB 1.428 21 residues pruned to eliminate duplicates Z: 20 9.905 1.935 0.264 0.367 0.842 0.526 CB 1.272 13 residues pruned to eliminate duplicates Z: 21 41.723 2.255 0.746 0.917 1.000 0.850 CA 1.673 21 residues pruned to eliminate duplicates Z: 19 29.641 2.082 0.728 0.872 1.000 0.722 CA 1.415 19 residues pruned to eliminate duplicates Z: 11 6.248 1.700 0.254 0.392 0.900 0.800 CB 1.154 9 residues pruned to eliminate duplicates Z: 12 16.109 1.741 0.829 0.766 1.000 0.727 CA 1.204 12 residues pruned to eliminate duplicates Z: 7 3.302 1.580 0.155 0.370 0.833 0.333 N 1.019 6 residues pruned to eliminate duplicates Z: 22 34.310 2.137 0.599 0.882 0.952 0.667 CB 1.664 22 residues pruned to eliminate duplicates Z: 11 11.452 1.782 0.529 0.852 0.900 0.800 CA 1.093 11 residues pruned to eliminate duplicates Z: 7 5.974 2.038 0.456 0.468 0.833 0.667 CB 1.019 Z: 13 9.127 2.015 0.324 0.413 0.917 0.750 CB 1.180 13 residues pruned to eliminate duplicates Z: 15 20.112 2.047 0.396 0.842 0.929 0.714 CA 1.509 15 residues pruned to eliminate duplicates Z: 50 19.366 1.943 0.254 0.383 0.898 0.531 CA 1.432 42 residues pruned to eliminate duplicates Z: 44 32.278 2.157 0.799 0.471 0.930 0.558 CB 1.404 45 residues pruned to eliminate duplicates Z: 17 10.498 1.719 0.464 0.537 0.812 0.500 CA 1.238 8 residues pruned to eliminate duplicates Z: 7 3.875 1.568 0.216 0.557 1.000 0.500 CB 0.786 Z: 13 9.844 1.960 0.528 0.425 0.750 0.500 CB 1.368 13 residues pruned to eliminate duplicates Z: 17 27.162 2.248 0.487 0.882 1.000 0.750 CB 1.470 18 residues pruned to eliminate duplicates Z: 37 17.767 1.994 0.241 0.362 0.889 0.444 CB 1.563 40 residues pruned to eliminate duplicates Z: 41 23.067 2.067 0.471 0.478 0.825 0.500 CB 1.487 41 residues pruned to eliminate duplicates Z: 12 13.018 2.128 0.535 0.467 0.727 0.455 CA 1.709 12 residues pruned to eliminate duplicates Z: 48 36.151 2.132 0.566 0.619 0.915 0.617 CA 1.543 46 residues pruned to eliminate duplicates Z: 44 30.289 2.090 0.565 0.544 0.907 0.605 CB 1.491 44 residues pruned to eliminate duplicates Z: 13 9.516 1.896 0.234 0.772 0.833 0.583 CB 1.107 13 residues pruned to eliminate duplicates Z: 7 2.831 1.698 0.514 0.348 0.500 0.333 CB 1.060 6 residues pruned to eliminate duplicates Z: 9 7.142 1.730 0.085 0.685 0.875 0.875 CA 1.298 9 residues pruned to eliminate duplicates Z: 17 8.955 1.890 0.205 0.403 0.812 0.375 CB 1.340 11 residues pruned to eliminate duplicates Z: 27 17.416 2.035 0.431 0.433 0.885 0.538 CB 1.421 27 residues pruned to eliminate duplicates Z: 10 7.404 1.828 0.583 0.395 0.667 0.556 N 1.430 10 residues pruned to eliminate duplicates Z: 58 36.601 2.099 0.525 0.580 0.877 0.404 CA 1.599 58 residues pruned to eliminate duplicates Z: 21 20.910 1.850 0.847 0.863 0.900 0.650 CA 1.116 21 residues pruned to eliminate duplicates Z: 51 31.741 2.095 0.663 0.431 0.940 0.500 CB 1.473 51 residues pruned to eliminate duplicates Z: 48 33.850 2.052 0.595 0.544 0.936 0.702 CA 1.544 38 residues pruned to eliminate duplicates Z: 39 16.679 1.988 0.246 0.371 0.921 0.421 CB 1.362 39 residues pruned to eliminate duplicates Z: 13 11.148 2.038 0.697 0.473 0.833 0.583 CA 1.147 13 residues pruned to eliminate duplicates Z: 11 17.138 2.025 0.390 0.765 0.900 0.700 CB 1.691 11 residues pruned to eliminate duplicates Z: 32 15.263 1.808 0.458 0.402 0.839 0.452 CA 1.374 32 residues pruned to eliminate duplicates Z: 49 25.898 2.051 0.415 0.510 0.875 0.625 CB 1.458 49 residues pruned to eliminate duplicates Z: 74 47.899 2.154 0.685 0.548 0.959 0.644 CA 1.537 74 residues pruned to eliminate duplicates Z: 6 7.553 1.471 0.842 0.714 1.000 0.400 CB 1.028 Z: 21 14.124 1.996 0.232 0.516 0.800 0.650 CA 1.579 21 residues pruned to eliminate duplicates Z: 25 22.651 2.070 0.384 0.709 0.958 0.875 CA 1.393 25 residues pruned to eliminate duplicates Z: 23 12.148 1.966 0.606 0.316 0.727 0.455 CA 1.382 23 residues pruned to eliminate duplicates Z: 25 17.360 2.035 0.587 0.457 0.917 0.500 CB 1.251 22 residues pruned to eliminate duplicates Z: 20 19.432 2.139 0.605 0.480 0.895 0.684 CB 1.482 27 residues pruned to eliminate duplicates Z: 25 21.757 2.065 0.825 0.331 0.958 0.458 CB 1.480 26 residues pruned to eliminate duplicates Z: 6 6.993 1.900 0.420 0.673 0.800 0.800 CA 1.235 6 residues pruned to eliminate duplicates Z: 6 7.541 1.939 0.748 0.740 0.800 0.800 CB 1.003 6 residues pruned to eliminate duplicates Z: 11 4.682 1.685 0.539 0.220 0.800 0.600 CB 0.992 11 residues pruned to eliminate duplicates Z: 23 16.137 2.032 0.482 0.425 0.909 0.545 CB 1.359 23 residues pruned to eliminate duplicates Z: 7 3.390 1.432 0.496 0.242 0.833 0.500 CA 1.044 7 residues pruned to eliminate duplicates Z: 15 13.435 1.913 0.347 0.510 1.000 0.643 CB 1.379 15 residues pruned to eliminate duplicates Z: 24 12.688 1.910 0.510 0.357 0.913 0.435 CB 1.172 24 residues pruned to eliminate duplicates Z: 12 6.044 1.765 -0.128 0.480 1.000 0.636 CB 1.208 12 residues pruned to eliminate duplicates Z: 8 8.793 2.083 0.209 0.587 0.857 0.429 CB 1.416 8 residues pruned to eliminate duplicates Z: 9 4.015 1.340 0.666 0.347 0.750 0.250 N 1.001 Z: 11 10.466 1.611 0.384 0.816 1.000 0.500 CB 1.129 11 residues pruned to eliminate duplicates Z: 12 12.303 2.100 -0.005 0.843 1.000 0.727 CB 1.323 12 residues pruned to eliminate duplicates Z: 19 10.867 1.751 0.411 0.240 0.889 0.444 CA 1.575 19 residues pruned to eliminate duplicates Z: 26 14.648 2.037 0.547 0.394 0.840 0.480 CB 1.237 26 residues pruned to eliminate duplicates Z: 12 9.544 1.962 0.351 0.319 0.909 0.364 CB 1.457 12 residues pruned to eliminate duplicates Z: 32 35.272 2.218 0.666 0.654 0.903 0.516 CA 1.645 32 residues pruned to eliminate duplicates Z: 6 4.431 1.678 0.447 0.673 0.800 0.400 CA 0.869 6 residues pruned to eliminate duplicates Z: 14 3.866 1.686 0.251 0.148 0.769 0.462 CB 1.019 14 residues pruned to eliminate duplicates Z: 13 4.870 1.630 0.258 0.382 0.750 0.500 CB 1.036 13 residues pruned to eliminate duplicates Z: 11 5.585 1.954 0.073 0.373 0.700 0.500 CA 1.378 11 residues pruned to eliminate duplicates Z: 9 9.299 1.938 0.523 0.594 0.875 0.625 CB 1.164 9 residues pruned to eliminate duplicates Z: 12 11.301 1.967 0.504 0.826 0.818 0.636 CB 1.061 12 residues pruned to eliminate duplicates Z: 17 17.994 2.099 0.616 0.809 0.812 0.500 CB 1.248 17 residues pruned to eliminate duplicates 6 0.960 1.642 0.031 0.365 0.600 0.400 CB 0.489 ? Z: 8 5.486 1.543 0.480 0.655 1.000 0.714 CA 0.786 Z: 74 48.529 2.197 0.722 0.518 0.932 0.534 CA 1.583 74 residues pruned to eliminate duplicates Z: 6 2.936 1.493 0.255 0.774 0.600 0.400 N 0.916 Z: 19 26.503 2.214 0.470 0.884 0.944 0.778 CA 1.469 19 residues pruned to eliminate duplicates Z: 37 31.909 2.009 0.503 0.672 0.972 0.750 CA 1.547 37 residues pruned to eliminate duplicates Z: 21 10.264 1.677 0.426 0.392 0.800 0.400 N 1.345 21 residues pruned to eliminate duplicates Z: 23 10.691 1.927 0.617 0.333 0.773 0.545 CA 1.136 23 residues pruned to eliminate duplicates Z: 17 15.328 2.087 0.474 0.600 0.938 0.812 CB 1.207 17 residues pruned to eliminate duplicates Z: 8 6.089 1.664 0.720 0.461 0.857 0.714 CA 0.976 8 residues pruned to eliminate duplicates Z: 6 5.493 1.595 0.672 0.627 1.000 1.000 CA 0.817 6 residues pruned to eliminate duplicates Z: 26 13.938 2.026 0.417 0.369 0.880 0.480 CB 1.270 26 residues pruned to eliminate duplicates Z: 38 22.267 2.080 0.466 0.480 0.892 0.595 CA 1.374 38 residues pruned to eliminate duplicates Z: 9 6.929 1.993 0.179 0.398 0.875 0.625 CA 1.327 9 residues pruned to eliminate duplicates Z: 15 22.392 2.060 1.063 0.648 0.857 0.286 CA 1.432 15 residues pruned to eliminate duplicates Z: 15 12.377 1.922 0.392 0.453 0.929 0.786 CB 1.396 15 residues pruned to eliminate duplicates Z: 33 20.581 1.916 0.661 0.441 0.906 0.531 CA 1.341 88 residues pruned to eliminate duplicates Z: 16 24.652 2.206 0.640 0.887 0.933 0.600 CB 1.359 16 residues pruned to eliminate duplicates Z: 24 15.046 2.032 0.506 0.378 0.870 0.522 CA 1.342 24 residues pruned to eliminate duplicates Z: 18 17.835 2.109 0.236 0.767 0.941 0.706 CB 1.392 18 residues pruned to eliminate duplicates Z: 40 28.002 1.958 0.558 0.613 0.897 0.667 CA 1.472 40 residues pruned to eliminate duplicates Z: 38 26.658 2.078 0.504 0.501 0.973 0.676 CA 1.439 38 residues pruned to eliminate duplicates Z: 24 16.207 2.011 0.292 0.499 0.870 0.652 CA 1.498 24 residues pruned to eliminate duplicates Z: 12 13.015 1.935 0.404 0.584 0.909 0.636 N 1.465 13 residues pruned to eliminate duplicates Z: 17 19.585 2.129 0.405 0.836 0.938 0.938 CB 1.307 17 residues pruned to eliminate duplicates Z: 15 6.700 1.671 0.327 0.363 0.786 0.500 CB 1.191 15 residues pruned to eliminate duplicates Z: 7 6.617 1.519 0.642 0.687 0.833 0.667 C 1.094 Z: 8 4.071 1.688 0.020 0.430 1.000 0.429 CB 0.961 Z: 18 18.285 2.135 0.508 0.524 1.000 0.706 CB 1.344 18 residues pruned to eliminate duplicates Z: 11 8.447 1.665 0.214 0.657 0.900 0.700 CA 1.270 15 residues pruned to eliminate duplicates Z: 17 17.711 1.911 0.585 0.892 0.875 0.438 CA 1.200 17 residues pruned to eliminate duplicates Z: 20 34.717 2.192 0.787 0.886 0.895 0.368 CB 1.639 20 residues pruned to eliminate duplicates Z: 18 7.098 1.808 0.237 0.299 0.765 0.471 CB 1.260 Z: 20 29.077 2.124 0.689 0.865 0.947 0.684 CB 1.438 19 residues pruned to eliminate duplicates Z: 21 43.633 2.213 0.963 0.879 1.000 0.500 CA 1.628 21 residues pruned to eliminate duplicates Z: 37 12.411 1.970 0.307 0.317 0.778 0.361 CB 1.265 37 residues pruned to eliminate duplicates Z: 10 16.313 1.925 0.852 0.781 0.889 0.778 CA 1.340 11 residues pruned to eliminate duplicates Z: 54 36.038 2.056 0.632 0.584 0.906 0.660 CA 1.504 54 residues pruned to eliminate duplicates Z: 8 5.533 1.818 0.178 0.515 0.714 0.429 CB 1.346 Z: 51 43.032 2.172 0.640 0.636 0.940 0.480 CB 1.601 51 residues pruned to eliminate duplicates Z: 9 14.666 1.951 0.801 0.788 0.875 0.625 CB 1.310 9 residues pruned to eliminate duplicates Z: 7 5.776 1.578 0.929 0.388 0.667 0.333 CA 1.309 Z: 20 49.415 2.233 1.120 0.921 1.000 0.368 CB 1.686 20 residues pruned to eliminate duplicates Z: 20 27.007 2.111 0.439 0.858 1.000 0.737 CB 1.502 20 residues pruned to eliminate duplicates Z: 13 8.724 1.813 0.127 0.428 1.000 0.583 CA 1.328 13 residues pruned to eliminate duplicates Z: 12 4.260 1.496 0.061 0.377 0.909 0.636 CB 1.014 10 residues pruned to eliminate duplicates Z: 7 7.299 1.818 0.175 0.878 0.833 0.667 CA 1.215 Z: 21 20.236 2.141 0.707 0.375 0.950 0.500 CB 1.488 21 residues pruned to eliminate duplicates Z: 10 2.991 1.656 0.640 0.285 0.556 0.556 CB 0.843 Z: 8 7.359 1.829 0.230 0.475 0.857 0.571 CB 1.480 8 residues pruned to eliminate duplicates Z: 13 8.275 2.045 0.600 0.293 0.667 0.333 CB 1.382 8 residues pruned to eliminate duplicates Z: 6 8.085 1.839 1.274 0.597 1.000 0.600 CA 0.788 6 residues pruned to eliminate duplicates Z: 6 2.461 1.465 -0.133 0.545 0.800 0.600 N 1.036 Z: 7 3.639 1.669 0.436 0.255 0.833 0.500 CB 0.985 Z: 17 10.267 1.988 0.403 0.288 0.875 0.438 CB 1.334 17 residues pruned to eliminate duplicates Z: 7 3.325 1.292 0.608 0.355 0.833 0.667 C 0.917 Z: 50 46.832 2.168 0.824 0.659 0.980 0.551 CA 1.490 50 residues pruned to eliminate duplicates Z: 17 25.341 2.154 0.700 0.842 0.938 0.688 CB 1.376 17 residues pruned to eliminate duplicates Z: 16 9.490 1.880 0.393 0.414 0.867 0.600 CB 1.182 7 residues pruned to eliminate duplicates 6 1.694 1.566 -0.235 0.569 0.800 0.600 O 0.739 ? Z: 29 15.672 1.898 0.433 0.468 0.857 0.321 CB 1.313 28 residues pruned to eliminate duplicates Z: 7 3.685 1.672 -0.145 0.580 1.000 0.500 CB 0.975 Z: 17 7.286 1.717 0.520 0.306 0.750 0.312 CA 1.155 13 residues pruned to eliminate duplicates Z: 45 32.691 2.052 0.584 0.592 0.909 0.636 CA 1.528 45 residues pruned to eliminate duplicates Z: 11 6.362 1.927 0.193 0.397 0.700 0.500 CB 1.392 10 residues pruned to eliminate duplicates Z: 11 7.139 1.699 0.008 0.668 1.000 0.600 CA 1.128 11 residues pruned to eliminate duplicates 6 1.699 1.499 0.080 0.293 0.600 0.400 CB 0.986 ? Z: 12 7.835 1.757 0.442 0.357 0.909 0.273 CB 1.197 13 residues pruned to eliminate duplicates Z: 15 8.688 1.965 0.132 0.393 0.929 0.643 CB 1.259 Z: 40 24.799 2.031 0.446 0.503 0.872 0.564 CB 1.545 40 residues pruned to eliminate duplicates Z: 6 2.577 1.478 0.070 0.732 0.800 0.800 N 0.739 Z: 24 21.762 2.157 0.698 0.370 0.913 0.652 CA 1.560 24 residues pruned to eliminate duplicates Z: 18 6.015 1.621 0.347 0.252 0.765 0.235 CB 1.161 18 residues pruned to eliminate duplicates Z: 6 5.195 1.632 0.530 0.454 1.000 0.400 CB 0.976 Z: 22 19.266 1.990 0.526 0.503 0.952 0.619 CA 1.449 22 residues pruned to eliminate duplicates Z: 8 4.650 1.915 0.136 0.638 0.857 0.571 N 0.828 Z: 15 6.432 1.676 0.601 0.376 0.714 0.429 CB 1.024 11 residues pruned to eliminate duplicates Z: 17 7.704 1.697 0.468 0.512 0.750 0.562 CB 1.018 7 residues pruned to eliminate duplicates Z: 16 13.261 1.826 0.574 0.485 1.000 0.467 CB 1.210 16 residues pruned to eliminate duplicates Z: 7 4.505 1.841 0.491 0.399 0.667 0.500 CB 1.119 7 residues pruned to eliminate duplicates Z: 15 12.341 1.983 0.635 0.420 0.929 0.714 CB 1.190 15 residues pruned to eliminate duplicates Z: 6 2.256 1.310 0.303 0.299 0.800 0.800 N 0.924 Z: 15 7.087 1.858 0.193 0.391 0.714 0.500 CB 1.342 15 residues pruned to eliminate duplicates Z: 15 8.372 1.824 0.338 0.500 0.857 0.357 CA 1.070 15 residues pruned to eliminate duplicates Z: 9 6.481 1.596 0.521 0.513 1.000 0.750 CA 0.931 9 residues pruned to eliminate duplicates Z: 12 20.691 2.032 0.625 0.890 0.909 0.727 CA 1.495 12 residues pruned to eliminate duplicates Z: 45 21.449 2.041 0.314 0.469 0.886 0.614 CB 1.403 45 residues pruned to eliminate duplicates Z: 11 9.446 1.604 0.265 0.724 1.000 0.600 CA 1.202 11 residues pruned to eliminate duplicates Z: 40 12.884 1.975 0.124 0.276 0.872 0.359 CB 1.374 40 residues pruned to eliminate duplicates Z: 7 2.953 1.467 0.049 0.313 1.000 0.667 C 0.963 Z: 7 7.491 1.521 1.082 0.708 0.667 0.333 CA 1.199 7 residues pruned to eliminate duplicates Z: 38 13.972 1.874 0.252 0.345 0.838 0.459 CB 1.382 38 residues pruned to eliminate duplicates Z: 13 13.427 1.951 0.270 0.694 0.917 0.750 CA 1.429 13 residues pruned to eliminate duplicates Z: 6 3.660 1.486 0.551 0.370 1.000 0.400 CB 0.816 Z: 109 51.098 2.115 0.552 0.549 0.935 0.500 CB 1.527 111 residues pruned to eliminate duplicates Z: 6 4.161 1.636 0.260 0.554 0.800 0.800 CB 1.070 Z: 7 4.555 1.292 0.356 0.704 1.000 0.500 CB 0.881 Z: 11 13.956 1.690 0.604 0.905 0.900 0.300 O 1.287 11 residues pruned to eliminate duplicates 6 0.873 1.329 0.152 0.448 0.600 0.600 CB 0.449 ? Z: 12 25.565 2.060 0.945 0.857 0.909 0.727 CB 1.560 12 residues pruned to eliminate duplicates Z: 18 10.079 1.909 0.276 0.430 0.765 0.353 CB 1.411 9 residues pruned to eliminate duplicates Z: 10 11.348 1.772 0.681 0.485 1.000 0.556 CA 1.288 Z: 12 9.881 1.905 0.966 0.291 0.727 0.545 CA 1.384 12 residues pruned to eliminate duplicates Z: 19 31.325 2.172 0.617 0.900 1.000 0.889 CA 1.502 19 residues pruned to eliminate duplicates Z: 14 10.112 1.782 0.947 0.262 0.769 0.538 CA 1.380 14 residues pruned to eliminate duplicates Z: 7 4.132 1.599 0.391 0.617 0.833 0.667 CB 0.815 Z: 11 7.564 1.563 0.665 0.815 1.000 0.600 CB 0.699 11 residues pruned to eliminate duplicates Z: 31 18.371 1.988 0.273 0.588 0.867 0.633 CB 1.405 31 residues pruned to eliminate duplicates 7 1.596 1.648 -0.589 0.399 1.000 0.500 N 1.070 ? Z: 25 17.620 2.134 0.782 0.307 0.833 0.542 CA 1.407 25 residues pruned to eliminate duplicates 9 1.538 1.400 -0.060 0.294 0.750 0.250 CB 0.694 ? Z: 6 4.478 1.807 -0.052 0.744 1.000 0.800 N 0.940 7 residues pruned to eliminate duplicates Z: 10 7.553 1.839 0.584 0.719 0.889 0.667 CB 0.797 10 residues pruned to eliminate duplicates Z: 41 44.723 2.177 0.772 0.732 0.950 0.575 CB 1.567 41 residues pruned to eliminate duplicates Z: 11 10.488 1.644 0.568 0.662 0.900 0.600 N 1.230 Z: 7 3.493 1.826 0.316 0.083 0.833 0.333 CB 1.221 7 residues pruned to eliminate duplicates Z: 10 4.951 1.713 0.248 0.385 0.667 0.444 CB 1.309 10 residues pruned to eliminate duplicates Z: 6 3.178 1.527 0.288 0.659 0.800 0.600 CB 0.779 5 residues pruned to eliminate duplicates Z: 6 2.128 1.772 -0.335 0.457 0.800 0.800 CB 1.054 Z: 16 14.456 2.019 0.449 0.451 0.867 0.600 CB 1.548 16 residues pruned to eliminate duplicates 6 1.566 1.462 0.088 0.319 0.600 0.400 CB 0.896 ? Z: 13 11.652 1.718 0.684 0.479 0.917 0.417 CA 1.295 13 residues pruned to eliminate duplicates Z: 7 3.874 1.425 0.221 0.486 0.833 0.500 CA 1.106 Z: 12 6.248 1.644 0.225 0.430 0.818 0.364 CB 1.229 11 residues pruned to eliminate duplicates Z: 9 9.209 1.977 0.473 0.538 0.750 0.500 N 1.435 9 residues pruned to eliminate duplicates Z: 6 8.645 2.060 0.138 0.524 1.000 0.800 CB 1.612 6 residues pruned to eliminate duplicates Z: 30 18.326 1.946 0.406 0.416 0.931 0.759 CA 1.457 30 residues pruned to eliminate duplicates Z: 6 5.673 1.707 0.658 0.554 0.800 0.600 CA 1.063 6 residues pruned to eliminate duplicates Z: 9 9.194 1.598 0.695 0.789 0.875 0.625 CA 1.064 9 residues pruned to eliminate duplicates Z: 19 27.561 2.012 0.881 0.872 0.944 0.500 CA 1.324 19 residues pruned to eliminate duplicates Z: 6 6.476 1.693 0.366 0.824 0.800 0.600 CA 1.182 6 residues pruned to eliminate duplicates Z: 23 30.895 2.051 0.386 0.844 1.000 0.818 CA 1.725 23 residues pruned to eliminate duplicates Z: 38 25.343 1.982 0.425 0.624 0.865 0.649 CB 1.517 38 residues pruned to eliminate duplicates Z: 6 2.667 1.655 -0.161 0.437 0.800 0.400 N 1.146 Z: 8 5.919 1.853 0.127 0.504 0.857 0.429 CB 1.245 5 residues pruned to eliminate duplicates Z: 13 11.360 2.087 0.605 0.550 0.750 0.583 CB 1.242 13 residues pruned to eliminate duplicates Z: 18 9.047 1.909 0.160 0.296 0.882 0.471 CB 1.411 18 residues pruned to eliminate duplicates Z: 7 6.077 1.820 0.161 0.277 1.000 0.667 CA 1.510 7 residues pruned to eliminate duplicates Z: 7 4.505 1.579 0.316 0.365 0.833 0.333 N 1.228 Z: 10 2.684 1.464 0.074 0.340 0.889 0.333 CB 0.762 Z: 22 11.176 1.962 0.207 0.390 0.857 0.476 CA 1.350 24 residues pruned to eliminate duplicates Z: 25 10.423 1.864 0.169 0.448 0.917 0.542 CB 1.124 25 residues pruned to eliminate duplicates Z: 6 2.503 1.551 0.129 0.252 0.800 0.200 C 1.062 Z: 22 37.513 2.133 0.703 0.895 0.952 0.429 CB 1.697 22 residues pruned to eliminate duplicates Z: 11 5.735 1.747 0.304 0.348 0.700 0.500 N 1.341 11 residues pruned to eliminate duplicates Z: 7 4.556 1.616 0.575 0.375 0.667 0.500 N 1.254 Z: 6 3.008 1.803 -0.462 0.872 1.000 0.600 CB 1.010 6 residues pruned to eliminate duplicates Z: 20 12.297 1.758 0.649 0.361 0.895 0.526 CA 1.263 20 residues pruned to eliminate duplicates Z: 23 14.215 1.866 0.558 0.469 0.864 0.500 CB 1.245 24 residues pruned to eliminate duplicates Z: 9 8.970 1.699 0.762 0.474 0.875 0.750 CB 1.243 Z: 19 13.290 2.113 0.370 0.320 0.833 0.278 CB 1.583 19 residues pruned to eliminate duplicates Z: 6 2.060 1.072 0.172 0.514 1.000 0.600 CB 0.723 Z: 8 4.849 1.616 -0.159 0.634 1.000 0.571 CB 1.189 8 residues pruned to eliminate duplicates Z: 16 20.080 2.123 0.537 0.847 0.933 0.600 CB 1.264 16 residues pruned to eliminate duplicates Z: 7 2.823 1.385 0.401 0.288 0.667 0.333 CB 1.131 Z: 15 5.632 1.737 0.361 0.240 0.643 0.286 N 1.337 7 residues pruned to eliminate duplicates Z: 6 2.169 1.428 0.448 0.285 0.600 0.400 C 0.995 Z: 11 10.017 1.928 0.372 0.461 1.000 0.700 CB 1.246 11 residues pruned to eliminate duplicates Z: 22 16.586 1.976 0.348 0.579 0.952 0.762 CB 1.322 28 residues pruned to eliminate duplicates Z: 13 11.461 1.914 0.526 0.401 0.833 0.583 N 1.508 13 residues pruned to eliminate duplicates Z: 12 20.629 1.993 0.535 0.864 0.909 0.364 CA 1.640 12 residues pruned to eliminate duplicates Z: 6 3.731 1.509 0.284 0.514 0.800 0.600 CA 1.062 Z: 8 2.470 1.457 0.048 0.250 0.714 0.571 CB 1.142 Z: 44 36.256 2.069 0.524 0.662 0.953 0.837 CA 1.583 44 residues pruned to eliminate duplicates Z: 9 4.839 1.541 0.573 0.284 0.875 0.625 CA 1.029 9 residues pruned to eliminate duplicates Z: 15 7.344 1.859 0.584 0.300 0.643 0.286 CA 1.296 15 residues pruned to eliminate duplicates Z: 10 3.461 1.712 0.451 0.174 0.667 0.222 CB 1.034 5 residues pruned to eliminate duplicates Z: 21 11.897 1.948 0.305 0.513 0.850 0.650 CB 1.215 21 residues pruned to eliminate duplicates Z: 13 6.519 1.765 0.220 0.427 0.917 0.583 CB 1.028 8 residues pruned to eliminate duplicates Z: 11 15.148 1.934 0.409 0.881 1.000 0.800 CB 1.273 11 residues pruned to eliminate duplicates Z: 9 6.338 1.745 0.154 0.351 0.875 0.375 O 1.494 9 residues pruned to eliminate duplicates Z: 9 7.884 1.647 0.363 0.497 1.000 0.625 CA 1.245 9 residues pruned to eliminate duplicates Z: 41 27.799 2.072 0.561 0.512 0.900 0.500 CA 1.493 37 residues pruned to eliminate duplicates Z: 9 21.590 2.239 0.579 0.829 1.000 1.000 CB 1.625 9 residues pruned to eliminate duplicates Z: 9 7.819 1.635 0.156 0.811 1.000 0.625 CA 1.116 9 residues pruned to eliminate duplicates Z: 6 3.339 1.702 -0.164 0.850 1.000 1.000 CA 0.778 6 residues pruned to eliminate duplicates Z: 25 12.761 1.816 0.330 0.381 0.958 0.542 CB 1.277 25 residues pruned to eliminate duplicates Z: 16 12.925 2.090 0.500 0.390 0.867 0.667 CA 1.381 16 residues pruned to eliminate duplicates Z: 12 10.756 1.854 0.334 0.413 1.000 0.727 CB 1.437 12 residues pruned to eliminate duplicates Z: 40 23.234 2.028 0.548 0.478 0.872 0.667 CA 1.391 40 residues pruned to eliminate duplicates Z: 18 10.813 1.921 0.510 0.350 0.882 0.529 CA 1.206 18 residues pruned to eliminate duplicates Z: 28 17.928 2.017 0.336 0.451 0.889 0.667 CA 1.515 28 residues pruned to eliminate duplicates Z: 7 3.036 1.418 0.278 0.453 0.833 0.500 C 0.861 Z: 15 7.394 1.739 0.261 0.335 0.929 0.357 CA 1.162 Z: 22 20.066 1.999 0.712 0.485 1.000 0.619 CA 1.300 22 residues pruned to eliminate duplicates Z: 11 13.713 2.017 0.982 0.446 0.900 0.400 CB 1.273 11 residues pruned to eliminate duplicates Z: 14 3.067 1.354 0.213 0.327 0.692 0.308 CB 0.904 14 residues pruned to eliminate duplicates Z: 7 5.534 1.579 0.185 0.666 1.000 0.667 CB 1.036 7 residues pruned to eliminate duplicates Z: 14 7.924 1.872 0.397 0.349 0.846 0.692 CA 1.171 14 residues pruned to eliminate duplicates Z: 15 8.446 1.730 0.306 0.482 0.857 0.571 CB 1.187 12 residues pruned to eliminate duplicates Z: 6 4.062 1.513 -0.196 0.740 1.000 0.600 CB 1.204 Z: 19 10.500 2.043 0.453 0.389 0.722 0.444 CB 1.298 19 residues pruned to eliminate duplicates Z: 25 11.774 1.858 0.284 0.414 0.875 0.667 CB 1.260 26 residues pruned to eliminate duplicates Z: 37 24.011 2.008 0.324 0.611 0.889 0.667 CB 1.524 37 residues pruned to eliminate duplicates Z: 6 4.065 1.426 0.386 0.627 1.000 0.600 N 0.816 Z: 6 3.494 1.567 -0.033 0.630 1.000 0.800 CB 0.912 8 1.597 1.431 0.386 0.288 0.571 0.286 N 0.677 ? Z: 12 8.737 1.874 0.200 0.527 0.909 0.727 CB 1.255 12 residues pruned to eliminate duplicates Z: 6 6.288 1.963 0.140 0.518 0.800 0.800 N 1.543 6 residues pruned to eliminate duplicates Z: 13 7.921 1.557 0.499 0.377 1.000 0.667 CB 1.117 13 residues pruned to eliminate duplicates Z: 26 18.535 2.019 0.599 0.425 0.800 0.520 CA 1.552 26 residues pruned to eliminate duplicates Z: 11 3.480 1.713 0.123 0.246 0.700 0.400 CB 1.096 11 residues pruned to eliminate duplicates Z: 20 43.654 2.261 0.843 0.936 1.000 0.632 CA 1.674 20 residues pruned to eliminate duplicates Z: 11 6.801 1.635 0.265 0.503 0.800 0.500 CA 1.295 11 residues pruned to eliminate duplicates Z: 8 3.179 1.516 0.487 0.330 0.857 0.429 CA 0.749 8 residues pruned to eliminate duplicates Z: 34 20.068 2.046 0.344 0.466 0.879 0.485 CA 1.497 34 residues pruned to eliminate duplicates Z: 23 11.515 1.874 0.209 0.344 0.909 0.545 CA 1.411 23 residues pruned to eliminate duplicates 6 0.743 1.450 0.041 0.347 0.600 0.400 CB 0.433 ? Z: 9 3.155 1.343 -0.202 0.637 0.875 0.500 CB 1.046 Z: 8 3.787 1.327 0.594 0.331 0.857 0.571 CB 0.950 Z: 16 12.151 1.868 0.872 0.896 0.667 0.533 CA 0.963 16 residues pruned to eliminate duplicates Z: 19 8.179 1.882 0.393 0.415 0.833 0.556 CA 0.964 19 residues pruned to eliminate duplicates Z: 8 4.138 1.359 0.529 0.494 0.714 0.286 N 1.059 Z: 10 10.968 2.066 0.460 0.364 1.000 0.667 CB 1.403 10 residues pruned to eliminate duplicates Z: 6 7.286 1.765 0.117 0.839 1.000 0.600 CA 1.234 7 residues pruned to eliminate duplicates Z: 9 6.228 1.858 0.525 0.447 0.875 0.625 CA 0.938 9 residues pruned to eliminate duplicates Z: 9 5.317 1.839 -0.169 0.752 1.000 1.000 CA 0.982 9 residues pruned to eliminate duplicates Z: 9 4.642 1.685 0.303 0.433 0.750 0.375 CB 1.068 7 residues pruned to eliminate duplicates Z: 25 16.309 1.892 0.569 0.538 0.833 0.583 CB 1.297 25 residues pruned to eliminate duplicates Z: 12 7.464 1.564 0.373 0.505 1.000 0.636 CB 1.042 12 residues pruned to eliminate duplicates Z: 24 22.004 1.937 0.336 0.726 0.913 0.783 CA 1.585 24 residues pruned to eliminate duplicates Z: 7 2.488 1.605 0.141 0.416 0.667 0.333 CB 0.909 7 residues pruned to eliminate duplicates Z: 17 23.296 1.895 0.724 0.894 0.938 0.625 CB 1.364 17 residues pruned to eliminate duplicates 7 0.768 1.264 0.051 0.125 0.833 0.500 N 0.453 ? Z: 23 7.038 1.781 0.245 0.339 0.864 0.409 CB 0.934 23 residues pruned to eliminate duplicates Z: 7 5.780 1.858 0.384 0.221 1.000 0.667 CB 1.273 7 residues pruned to eliminate duplicates Z: 9 2.709 1.261 0.485 0.478 0.750 0.500 CA 0.697 6 1.315 1.599 0.394 0.322 0.800 0.400 CB 0.401 ? Z: 10 2.600 1.513 0.001 0.352 0.889 0.667 CB 0.756 Z: 21 15.196 1.823 0.505 0.437 0.850 0.600 CA 1.555 15 residues pruned to eliminate duplicates Z: 7 5.066 1.315 0.482 0.512 1.000 0.333 CB 1.048 Z: 21 11.339 1.912 0.487 0.333 0.800 0.550 CB 1.338 21 residues pruned to eliminate duplicates Z: 12 22.363 1.934 0.843 0.789 0.909 0.818 C 1.614 12 residues pruned to eliminate duplicates Z: 6 2.900 1.441 0.307 0.445 0.800 0.800 N 0.911 Z: 11 6.123 1.669 0.832 0.347 0.700 0.500 CA 1.068 11 residues pruned to eliminate duplicates Z: 17 11.078 1.951 0.104 0.436 0.875 0.500 CA 1.571 17 residues pruned to eliminate duplicates Z: 10 3.939 1.543 0.047 0.362 0.889 0.667 CB 1.061 10 residues pruned to eliminate duplicates Z: 9 5.329 1.785 0.565 0.276 0.875 0.500 CA 0.993 8 residues pruned to eliminate duplicates 9 1.632 1.430 0.054 0.186 0.500 0.375 N 1.116 ? Z: 9 4.521 1.730 0.099 0.393 0.875 0.750 CB 1.076 8 1.305 1.303 0.149 0.298 0.714 0.286 C 0.578 ? Z: 15 11.435 1.750 0.472 0.533 0.929 0.643 CB 1.237 Z: 6 4.270 1.458 0.229 0.480 1.000 0.600 CB 1.088 Z: 10 8.358 1.584 -0.012 0.859 1.000 1.000 C 1.310 12 residues pruned to eliminate duplicates Z: 23 21.898 2.167 0.775 0.374 0.909 0.591 CA 1.528 23 residues pruned to eliminate duplicates Z: 6 7.646 1.854 0.416 0.458 1.000 0.600 CB 1.361 Z: 24 15.429 1.958 0.420 0.484 0.913 0.522 CB 1.288 26 residues pruned to eliminate duplicates Z: 11 13.702 1.984 0.573 0.780 0.900 0.400 CB 1.205 11 residues pruned to eliminate duplicates Z: 20 21.215 2.136 0.553 0.643 0.842 0.579 CB 1.524 20 residues pruned to eliminate duplicates Z: 33 16.398 1.896 0.404 0.353 0.844 0.594 CA 1.512 33 residues pruned to eliminate duplicates Z: 8 5.731 1.659 0.287 0.766 0.714 0.571 CB 1.123 8 residues pruned to eliminate duplicates Z: 12 7.792 1.900 0.230 0.505 0.818 0.455 CB 1.223 12 residues pruned to eliminate duplicates Z: 13 12.507 2.110 0.737 0.383 0.917 0.583 CB 1.218 13 residues pruned to eliminate duplicates Z: 8 4.050 1.413 0.363 0.578 0.857 0.571 CB 0.860 8 residues pruned to eliminate duplicates Z: 9 3.550 1.440 0.796 0.210 0.750 0.375 CB 0.911 Z: 7 5.750 1.827 0.334 0.632 0.833 0.500 CB 1.020 7 residues pruned to eliminate duplicates Z: 22 30.228 2.073 0.829 0.899 0.905 0.667 CA 1.374 22 residues pruned to eliminate duplicates Z: 17 10.170 1.869 0.202 0.409 0.875 0.688 CA 1.423 17 residues pruned to eliminate duplicates Z: 12 9.156 1.775 0.519 0.459 0.909 0.636 CB 1.175 12 residues pruned to eliminate duplicates Z: 11 4.437 1.355 0.201 0.539 0.900 0.800 CA 0.922 6 residues pruned to eliminate duplicates Z: 21 21.466 2.176 0.777 0.395 0.900 0.700 CA 1.541 21 residues pruned to eliminate duplicates Z: 8 2.225 1.313 0.576 0.207 0.714 0.714 CB 0.805 Z: 12 6.037 1.513 0.537 0.371 0.909 0.636 CB 0.989 Z: 63 45.321 2.155 0.677 0.567 0.919 0.532 CA 1.624 68 residues pruned to eliminate duplicates Z: 9 8.268 1.712 0.188 0.605 0.875 0.750 C 1.486 9 residues pruned to eliminate duplicates Z: 15 10.035 2.005 0.347 0.445 0.857 0.500 CB 1.227 15 residues pruned to eliminate duplicates Z: 19 8.674 1.817 0.229 0.344 0.722 0.444 CB 1.500 19 residues pruned to eliminate duplicates Z: 6 2.547 1.394 0.844 0.311 0.600 0.400 N 0.911 6 residues pruned to eliminate duplicates Z: 12 3.292 1.433 0.220 0.363 0.727 0.545 N 0.904 Z: 7 3.129 1.396 0.539 0.492 0.833 0.667 CB 0.719 Z: 24 16.736 1.940 0.436 0.463 0.870 0.565 CB 1.495 24 residues pruned to eliminate duplicates Z: 29 20.565 1.983 0.439 0.442 0.893 0.607 CA 1.619 29 residues pruned to eliminate duplicates Z: 9 7.465 1.532 0.417 0.735 0.750 0.625 O 1.312 9 residues pruned to eliminate duplicates Z: 9 3.767 1.531 0.317 0.248 1.000 0.500 CB 0.883 Z: 9 5.847 1.698 0.132 0.404 0.875 0.500 N 1.360 9 residues pruned to eliminate duplicates Z: 6 2.280 1.434 0.090 0.671 0.800 0.800 CB 0.696 4 residues pruned to eliminate duplicates Z: 7 3.164 1.572 0.383 0.571 0.667 0.500 CA 0.832 Z: 9 3.305 1.500 0.291 0.283 0.750 0.500 C 1.028 Z: 22 14.474 1.979 0.352 0.503 0.857 0.714 CB 1.373 24 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 7.529 1.914 0.344 0.662 0.800 0.400 CA 1.407 7 residues pruned to eliminate duplicates Z: 7 7.830 1.832 0.201 0.676 1.000 0.500 CA 1.236 7 residues pruned to eliminate duplicates Z: 8 9.277 1.772 0.391 0.558 1.000 0.571 CA 1.344 7 residues pruned to eliminate duplicates Z: 8 10.620 1.773 0.500 0.591 1.000 0.429 CA 1.385 8 residues pruned to eliminate duplicates Z: 7 8.103 1.778 0.359 0.603 0.833 0.500 C 1.489 7 residues pruned to eliminate duplicates Z: 10 8.088 1.724 0.304 0.487 0.889 0.444 CA 1.367 8 residues pruned to eliminate duplicates Z: 9 8.631 1.752 0.196 0.720 1.000 0.750 N 1.194 12 residues pruned to eliminate duplicates Z: 8 10.943 1.807 0.301 0.717 1.000 0.714 N 1.445 10 residues pruned to eliminate duplicates Z: 7 3.841 1.743 -0.052 0.642 0.667 0.667 CB 1.247 7 residues pruned to eliminate duplicates Z: 8 5.928 2.000 0.135 0.399 0.857 0.571 CB 1.280 8 residues pruned to eliminate duplicates Z: 11 8.850 1.831 0.406 0.477 0.900 0.800 CB 1.237 9 residues pruned to eliminate duplicates Z: 7 5.930 1.833 0.594 0.310 0.833 0.333 CA 1.228 7 residues pruned to eliminate duplicates Z: 11 12.848 1.872 0.608 0.554 0.900 0.700 CB 1.423 10 residues pruned to eliminate duplicates Z: 7 8.996 1.587 0.754 0.636 1.000 0.500 C 1.161 Z: 7 3.527 1.676 0.323 0.386 1.000 0.500 CB 0.733 7 residues pruned to eliminate duplicates Z: 16 10.890 1.664 0.244 0.584 1.000 0.600 CA 1.253 19 residues pruned to eliminate duplicates Z: 8 8.687 2.074 0.328 0.480 0.857 0.714 CA 1.419 8 residues pruned to eliminate duplicates Z: 10 8.083 2.046 0.286 0.261 0.778 0.444 CA 1.730 17 residues pruned to eliminate duplicates Z: 11 6.549 2.052 0.015 0.296 0.700 0.500 CB 1.785 19 residues pruned to eliminate duplicates Z: 10 9.908 2.002 0.181 0.422 1.000 0.667 CA 1.515 10 residues pruned to eliminate duplicates Z: 11 11.200 2.111 0.168 0.387 0.900 0.600 CB 1.799 11 residues pruned to eliminate duplicates Z: 13 11.449 1.862 0.415 0.379 1.000 0.583 CA 1.427 13 residues pruned to eliminate duplicates Z: 26 17.094 2.003 0.495 0.452 0.880 0.600 CA 1.364 29 residues pruned to eliminate duplicates Z: 7 5.870 1.614 0.821 0.351 0.833 0.667 CA 1.150 7 residues pruned to eliminate duplicates Z: 26 16.154 2.054 0.358 0.427 0.920 0.600 CA 1.358 26 residues pruned to eliminate duplicates Z: 29 18.699 1.990 0.369 0.479 0.929 0.607 CA 1.427 24 residues pruned to eliminate duplicates Z: 6 6.345 1.724 0.530 0.488 1.000 0.800 CA 1.089 6 residues pruned to eliminate duplicates Z: 14 9.972 2.041 0.416 0.445 0.769 0.615 CB 1.317 14 residues pruned to eliminate duplicates Z: 26 17.628 2.074 0.471 0.412 0.880 0.560 CB 1.440 26 residues pruned to eliminate duplicates Z: 31 18.151 2.025 0.425 0.452 0.867 0.467 CB 1.391 32 residues pruned to eliminate duplicates 6 1.446 1.261 0.532 0.294 0.800 0.600 CA 0.527 ? 6 1.787 1.387 0.323 0.438 0.600 0.400 CB 0.774 ? 6 1.588 1.502 0.177 0.100 0.600 0.200 C 1.115 ? Z: 7 4.800 1.810 0.214 0.371 0.833 0.667 CB 1.228 7 residues pruned to eliminate duplicates Z: 18 10.279 1.939 0.308 0.366 0.941 0.412 CB 1.206 18 residues pruned to eliminate duplicates Z: 18 12.069 2.030 0.357 0.381 0.941 0.412 CB 1.281 18 residues pruned to eliminate duplicates Z: 17 10.709 1.970 0.490 0.384 0.938 0.625 CB 1.101 17 residues pruned to eliminate duplicates Z: 22 11.249 1.954 0.382 0.352 0.952 0.476 CB 1.120 22 residues pruned to eliminate duplicates Z: 18 11.416 2.001 0.365 0.371 0.941 0.647 CB 1.236 18 residues pruned to eliminate duplicates Z: 17 9.324 1.925 0.293 0.361 0.938 0.688 CB 1.160 17 residues pruned to eliminate duplicates Z: 40 18.263 1.980 0.318 0.342 0.897 0.462 CB 1.484 45 residues pruned to eliminate duplicates Z: 6 5.313 1.650 0.443 0.288 1.000 0.800 CB 1.266 6 residues pruned to eliminate duplicates Z: 13 11.250 2.039 0.347 0.295 0.917 0.333 CB 1.622 13 residues pruned to eliminate duplicates Z: 44 13.537 1.930 0.165 0.265 0.884 0.233 CB 1.359 41 residues pruned to eliminate duplicates Z: 7 7.048 1.795 0.164 0.423 1.000 0.500 CA 1.493 7 residues pruned to eliminate duplicates Z: 33 15.604 1.968 0.328 0.329 0.906 0.469 CB 1.404 33 residues pruned to eliminate duplicates Z: 16 12.631 2.003 0.265 0.431 0.867 0.400 CB 1.595 16 residues pruned to eliminate duplicates Z: 21 11.957 1.963 0.311 0.410 0.850 0.450 CB 1.343 20 residues pruned to eliminate duplicates Z: 6 3.942 1.638 0.369 0.273 1.000 0.600 CA 1.017 6 residues pruned to eliminate duplicates Z: 10 9.321 2.066 0.502 0.339 0.778 0.333 CA 1.534 10 residues pruned to eliminate duplicates Z: 9 7.169 2.019 0.308 0.370 0.750 0.375 CA 1.470 9 residues pruned to eliminate duplicates Z: 11 9.378 2.054 0.457 0.372 0.800 0.400 CA 1.419 11 residues pruned to eliminate duplicates Z: 20 12.624 1.976 0.355 0.490 0.737 0.632 CB 1.482 20 residues pruned to eliminate duplicates Z: 8 8.097 2.007 0.388 0.410 1.000 0.714 CA 1.207 8 residues pruned to eliminate duplicates Z: 22 14.269 2.031 0.466 0.381 0.810 0.476 CA 1.467 23 residues pruned to eliminate duplicates Z: 6 8.071 1.991 0.833 0.318 0.800 0.600 N 1.512 6 residues pruned to eliminate duplicates Z: 15 12.381 2.054 0.466 0.419 0.786 0.286 CB 1.521 15 residues pruned to eliminate duplicates Z: 20 11.563 2.004 0.378 0.261 0.842 0.421 CA 1.499 20 residues pruned to eliminate duplicates Z: 13 12.452 2.129 0.577 0.261 0.917 0.417 CB 1.535 13 residues pruned to eliminate duplicates Z: 13 13.129 2.133 0.400 0.448 0.833 0.333 CB 1.606 13 residues pruned to eliminate duplicates Z: 28 12.786 1.962 0.325 0.327 0.815 0.407 CA 1.405 28 residues pruned to eliminate duplicates Z: 14 10.963 2.105 0.475 0.314 0.769 0.385 CB 1.564 14 residues pruned to eliminate duplicates Z: 6 4.701 1.935 0.635 0.490 0.600 0.400 CA 1.119 6 residues pruned to eliminate duplicates Z: 6 4.164 1.944 0.358 0.397 0.600 0.200 CA 1.311 6 residues pruned to eliminate duplicates Z: 28 16.590 1.950 0.467 0.369 0.926 0.407 CA 1.388 28 residues pruned to eliminate duplicates Z: 19 15.849 2.007 0.455 0.406 0.944 0.722 CB 1.495 18 residues pruned to eliminate duplicates Z: 7 11.880 1.853 0.825 0.479 1.000 0.667 CA 1.465 7 residues pruned to eliminate duplicates Z: 20 14.763 1.996 0.589 0.335 0.842 0.579 CA 1.518 20 residues pruned to eliminate duplicates Z: 20 15.321 2.068 0.531 0.355 0.895 0.737 CA 1.452 20 residues pruned to eliminate duplicates Z: 27 13.978 1.972 0.433 0.321 0.885 0.577 CB 1.336 27 residues pruned to eliminate duplicates Z: 18 15.817 2.066 0.628 0.356 0.882 0.529 CA 1.510 18 residues pruned to eliminate duplicates Z: 30 16.211 1.905 0.479 0.384 0.862 0.552 CB 1.402 34 residues pruned to eliminate duplicates 6 1.846 1.521 -0.039 0.262 1.000 1.000 CA 0.741 ? Z: 8 5.481 1.487 0.308 0.494 1.000 0.714 CA 1.071 8 residues pruned to eliminate duplicates Z: 40 24.028 2.049 0.447 0.461 0.872 0.564 CB 1.549 40 residues pruned to eliminate duplicates Z: 19 16.550 2.072 0.566 0.483 0.944 0.667 CA 1.294 19 residues pruned to eliminate duplicates Z: 42 24.022 2.016 0.607 0.454 0.829 0.634 CA 1.464 42 residues pruned to eliminate duplicates Z: 27 15.192 1.972 0.441 0.396 0.846 0.538 CA 1.383 27 residues pruned to eliminate duplicates Z: 40 24.406 2.073 0.450 0.483 0.872 0.641 CB 1.518 40 residues pruned to eliminate duplicates Z: 39 27.081 2.043 0.567 0.495 0.947 0.553 CA 1.455 39 residues pruned to eliminate duplicates Z: 39 26.430 2.069 0.551 0.484 0.921 0.500 CA 1.474 39 residues pruned to eliminate duplicates Z: 39 24.219 2.088 0.515 0.476 0.868 0.579 CA 1.465 39 residues pruned to eliminate duplicates Z: 38 27.456 2.074 0.545 0.483 0.946 0.568 CA 1.515 38 residues pruned to eliminate duplicates Z: 38 24.865 2.068 0.484 0.500 0.946 0.649 CA 1.409 38 residues pruned to eliminate duplicates Z: 25 19.565 2.036 0.526 0.442 0.958 0.542 CB 1.424 25 residues pruned to eliminate duplicates Z: 38 27.163 2.079 0.566 0.475 0.946 0.486 CA 1.488 38 residues pruned to eliminate duplicates Z: 40 26.360 2.049 0.605 0.503 0.897 0.641 CA 1.426 40 residues pruned to eliminate duplicates Z: 38 30.216 2.117 0.632 0.505 0.946 0.622 CA 1.512 38 residues pruned to eliminate duplicates Z: 22 14.049 2.054 0.411 0.496 0.857 0.524 CA 1.240 22 residues pruned to eliminate duplicates Z: 25 17.372 2.053 0.573 0.498 0.792 0.500 CA 1.390 25 residues pruned to eliminate duplicates Z: 39 24.044 2.065 0.573 0.496 0.842 0.579 CA 1.430 39 residues pruned to eliminate duplicates Z: 27 18.257 1.974 0.518 0.449 0.885 0.462 CB 1.423 27 residues pruned to eliminate duplicates Z: 39 25.989 2.079 0.566 0.495 0.921 0.632 CA 1.413 39 residues pruned to eliminate duplicates Z: 38 30.154 2.123 0.618 0.524 0.946 0.703 CA 1.491 38 residues pruned to eliminate duplicates Z: 24 19.223 2.055 0.611 0.480 0.826 0.522 CA 1.496 24 residues pruned to eliminate duplicates Z: 38 27.841 2.097 0.567 0.494 0.919 0.595 CA 1.526 38 residues pruned to eliminate duplicates Z: 28 20.386 2.059 0.479 0.546 0.926 0.481 CA 1.331 28 residues pruned to eliminate duplicates Z: 39 23.381 2.089 0.573 0.486 0.816 0.553 CA 1.435 39 residues pruned to eliminate duplicates Z: 6 4.034 1.612 0.232 0.380 0.800 0.200 N 1.291 Z: 7 8.990 1.741 0.784 0.593 1.000 0.167 CA 1.082 10 residues pruned to eliminate duplicates Z: 10 5.002 1.487 0.779 0.325 0.889 0.111 CA 0.859 11 residues pruned to eliminate duplicates Z: 6 7.086 1.712 0.858 0.448 1.000 0.600 CA 1.052 6 residues pruned to eliminate duplicates Z: 29 13.291 1.934 0.543 0.382 0.750 0.500 CB 1.272 30 residues pruned to eliminate duplicates Z: 6 3.151 1.474 -0.041 0.519 1.000 0.200 N 0.979 6 residues pruned to eliminate duplicates Z: 24 10.696 1.942 0.487 0.394 0.739 0.522 CB 1.169 24 residues pruned to eliminate duplicates Z: 29 14.345 2.020 0.633 0.360 0.750 0.464 CB 1.275 29 residues pruned to eliminate duplicates Z: 27 16.154 2.056 0.615 0.370 0.808 0.462 CB 1.357 29 residues pruned to eliminate duplicates Z: 7 4.945 1.643 0.489 0.435 0.833 0.500 CA 1.059 7 residues pruned to eliminate duplicates Z: 26 12.918 2.045 0.603 0.365 0.800 0.560 CB 1.139 26 residues pruned to eliminate duplicates Z: 16 11.676 2.097 0.550 0.482 0.800 0.467 CB 1.181 16 residues pruned to eliminate duplicates Z: 21 11.974 1.954 0.666 0.393 0.800 0.450 CB 1.152 21 residues pruned to eliminate duplicates Z: 12 6.993 2.161 0.466 0.276 0.636 0.455 CB 1.348 12 residues pruned to eliminate duplicates Z: 26 13.483 2.085 0.560 0.324 0.760 0.480 CB 1.323 26 residues pruned to eliminate duplicates Z: 16 12.352 2.163 0.479 0.472 0.800 0.600 CB 1.282 16 residues pruned to eliminate duplicates Z: 24 14.134 2.020 0.569 0.378 0.826 0.478 CB 1.282 22 residues pruned to eliminate duplicates Z: 6 5.041 1.838 0.115 0.359 1.000 0.800 CB 1.281 6 residues pruned to eliminate duplicates Z: 13 10.173 1.975 0.328 0.355 0.917 0.500 CA 1.430 14 residues pruned to eliminate duplicates Z: 7 3.488 1.286 0.878 0.357 0.833 0.500 N 0.826 7 residues pruned to eliminate duplicates Z: 14 9.844 1.977 0.436 0.277 0.846 0.462 CB 1.462 13 residues pruned to eliminate duplicates Z: 9 4.112 1.755 0.027 0.550 0.750 0.375 CA 1.025 9 residues pruned to eliminate duplicates Z: 17 8.369 1.707 0.280 0.403 0.938 0.375 CA 1.132 23 residues pruned to eliminate duplicates Z: 8 9.086 1.824 0.384 0.719 1.000 0.571 CB 1.116 8 residues pruned to eliminate duplicates Z: 17 10.307 1.825 0.224 0.536 1.000 0.438 CB 1.113 17 residues pruned to eliminate duplicates Z: 7 8.028 1.885 0.429 0.665 1.000 0.500 CB 1.044 7 residues pruned to eliminate duplicates Z: 11 8.178 1.738 0.310 0.575 1.000 0.400 CA 1.056 11 residues pruned to eliminate duplicates Z: 12 11.533 1.835 0.425 0.493 1.000 0.545 CA 1.340 11 residues pruned to eliminate duplicates Z: 8 9.458 1.833 0.346 0.745 1.000 0.714 CA 1.164 8 residues pruned to eliminate duplicates Z: 10 10.463 1.915 0.359 0.457 1.000 0.333 CB 1.400 11 residues pruned to eliminate duplicates Z: 6 5.708 1.699 0.524 0.375 1.000 0.200 CA 1.127 6 residues pruned to eliminate duplicates Z: 9 8.842 1.848 0.358 0.343 1.000 0.375 CB 1.479 9 residues pruned to eliminate duplicates Z: 6 6.933 1.658 0.481 0.547 1.000 0.600 CB 1.206 5 residues pruned to eliminate duplicates Z: 6 5.261 1.531 0.676 0.685 1.000 0.800 CB 0.774 6 residues pruned to eliminate duplicates Z: 6 5.689 1.413 0.706 0.682 1.000 0.600 CB 0.893 6 residues pruned to eliminate duplicates Z: 10 5.562 1.981 0.448 0.264 0.778 0.222 CA 1.088 10 residues pruned to eliminate duplicates Z: 10 5.276 1.938 0.504 0.165 0.778 0.556 CA 1.166 10 residues pruned to eliminate duplicates Z: 10 5.068 1.959 0.276 0.160 0.778 0.444 CA 1.316 10 residues pruned to eliminate duplicates Z: 11 5.356 1.969 0.585 0.142 0.700 0.300 CA 1.208 11 residues pruned to eliminate duplicates Z: 35 17.455 2.055 0.440 0.293 0.853 0.529 CB 1.495 39 residues pruned to eliminate duplicates Z: 11 5.247 2.015 0.445 0.144 0.700 0.500 CA 1.264 11 residues pruned to eliminate duplicates Z: 12 4.284 1.900 0.326 0.135 0.636 0.364 CA 1.269 12 residues pruned to eliminate duplicates Z: 6 11.370 1.942 0.741 0.585 1.000 1.000 CA 1.386 6 residues pruned to eliminate duplicates Z: 12 10.573 2.061 0.557 0.349 0.818 0.273 CA 1.430 12 residues pruned to eliminate duplicates Z: 13 7.662 1.971 0.896 0.242 0.667 0.250 CA 1.196 13 residues pruned to eliminate duplicates Z: 13 8.716 1.994 0.633 0.258 0.833 0.333 CA 1.224 13 residues pruned to eliminate duplicates Z: 26 17.465 2.043 0.409 0.373 0.880 0.400 CA 1.580 25 residues pruned to eliminate duplicates Z: 6 4.904 1.811 0.218 0.467 1.000 0.200 CA 1.028 6 residues pruned to eliminate duplicates Z: 12 8.595 2.034 0.442 0.339 0.818 0.455 CA 1.288 12 residues pruned to eliminate duplicates Z: 24 17.490 2.100 0.365 0.400 0.957 0.435 CB 1.478 24 residues pruned to eliminate duplicates Z: 25 17.007 2.068 0.442 0.420 0.875 0.458 CB 1.446 25 residues pruned to eliminate duplicates Z: 8 4.745 1.614 0.460 0.479 0.714 0.571 CA 1.088 8 residues pruned to eliminate duplicates Z: 32 13.867 1.873 0.396 0.351 0.871 0.387 CB 1.286 32 residues pruned to eliminate duplicates Z: 15 11.688 2.067 0.255 0.501 0.857 0.643 CB 1.403 15 residues pruned to eliminate duplicates Z: 16 12.268 2.023 0.474 0.352 0.867 0.533 CB 1.438 16 residues pruned to eliminate duplicates Z: 7 5.535 1.687 0.695 0.382 1.000 0.667 N 0.896 7 residues pruned to eliminate duplicates Z: 24 17.789 2.069 0.533 0.409 0.870 0.609 CA 1.480 24 residues pruned to eliminate duplicates Z: 25 17.849 2.047 0.433 0.451 0.875 0.625 CB 1.492 25 residues pruned to eliminate duplicates Z: 42 21.314 1.974 0.425 0.441 0.902 0.537 CB 1.394 79 residues pruned to eliminate duplicates Z: 25 15.782 1.971 0.369 0.415 0.875 0.542 CB 1.491 Z: 6 4.270 1.601 -0.011 0.482 1.000 1.000 N 1.229 6 residues pruned to eliminate duplicates Z: 22 16.043 1.963 0.415 0.431 0.857 0.571 CB 1.579 22 residues pruned to eliminate duplicates Z: 16 14.078 2.034 0.377 0.467 0.933 0.533 CB 1.439 16 residues pruned to eliminate duplicates Z: 14 12.498 2.076 0.255 0.526 0.923 0.615 CB 1.404 14 residues pruned to eliminate duplicates Z: 9 6.952 2.210 0.413 0.367 0.875 0.625 CB 1.038 9 residues pruned to eliminate duplicates Z: 26 18.937 2.100 0.405 0.557 0.880 0.600 CB 1.381 26 residues pruned to eliminate duplicates Z: 23 16.130 2.016 0.458 0.449 0.955 0.591 CB 1.292 23 residues pruned to eliminate duplicates Z: 20 17.730 2.159 0.456 0.472 1.000 0.632 CB 1.330 20 residues pruned to eliminate duplicates Z: 7 7.258 2.265 0.334 0.443 1.000 0.500 CB 1.040 7 residues pruned to eliminate duplicates Z: 9 7.504 2.145 0.310 0.373 0.875 0.375 CB 1.236 9 residues pruned to eliminate duplicates Z: 33 26.133 2.071 0.428 0.624 0.938 0.594 CA 1.483 33 residues pruned to eliminate duplicates Z: 23 17.214 2.075 0.536 0.430 0.955 0.500 CB 1.297 23 residues pruned to eliminate duplicates Z: 30 25.828 2.122 0.460 0.617 1.000 0.655 CA 1.386 30 residues pruned to eliminate duplicates Z: 33 33.453 2.110 0.627 0.670 1.000 0.656 CB 1.472 33 residues pruned to eliminate duplicates Z: 37 30.663 2.090 0.452 0.676 0.972 0.722 CB 1.473 37 residues pruned to eliminate duplicates Z: 26 23.988 2.118 0.447 0.575 1.000 0.600 CB 1.456 25 residues pruned to eliminate duplicates Z: 17 16.699 2.060 0.244 0.832 1.000 0.688 CA 1.223 17 residues pruned to eliminate duplicates Z: 33 27.400 2.035 0.470 0.673 0.969 0.688 CA 1.424 33 residues pruned to eliminate duplicates Z: 24 16.928 1.963 0.409 0.686 0.870 0.696 CA 1.238 24 residues pruned to eliminate duplicates Z: 35 25.168 2.037 0.424 0.651 0.941 0.559 CA 1.373 35 residues pruned to eliminate duplicates Z: 32 30.446 2.019 0.692 0.653 0.968 0.613 CA 1.435 32 residues pruned to eliminate duplicates Z: 36 26.603 2.045 0.413 0.642 0.971 0.629 CB 1.403 36 residues pruned to eliminate duplicates Z: 62 32.312 2.017 0.436 0.563 0.934 0.656 CA 1.438 62 residues pruned to eliminate duplicates Z: 19 24.841 2.082 0.611 0.803 1.000 0.611 CA 1.340 19 residues pruned to eliminate duplicates Z: 66 37.977 2.081 0.442 0.599 0.938 0.646 CB 1.522 63 residues pruned to eliminate duplicates Z: 16 23.376 2.072 0.558 0.933 1.000 0.733 CA 1.305 16 residues pruned to eliminate duplicates Z: 19 27.596 2.094 0.870 0.822 0.944 0.611 CA 1.331 19 residues pruned to eliminate duplicates Z: 30 25.968 2.026 0.452 0.714 0.966 0.517 CA 1.398 30 residues pruned to eliminate duplicates Z: 22 22.463 2.026 0.576 0.810 0.905 0.667 CA 1.295 22 residues pruned to eliminate duplicates Z: 17 30.140 2.155 0.722 0.860 1.000 0.750 CA 1.493 17 residues pruned to eliminate duplicates Z: 65 40.623 2.090 0.592 0.605 0.922 0.578 CA 1.499 65 residues pruned to eliminate duplicates Z: 11 13.858 1.997 0.286 0.870 1.000 0.200 CA 1.247 11 residues pruned to eliminate duplicates Z: 35 33.174 2.085 0.728 0.690 0.941 0.500 CB 1.409 35 residues pruned to eliminate duplicates Z: 66 42.501 2.074 0.620 0.582 0.938 0.523 CA 1.545 66 residues pruned to eliminate duplicates Z: 73 38.234 2.052 0.545 0.567 0.931 0.542 CB 1.431 73 residues pruned to eliminate duplicates Z: 63 37.213 2.037 0.615 0.641 0.903 0.613 CA 1.394 63 residues pruned to eliminate duplicates Z: 30 19.560 2.008 0.521 0.480 0.897 0.552 CB 1.354 30 residues pruned to eliminate duplicates Z: 20 22.502 2.074 0.876 0.572 1.000 0.526 CB 1.238 20 residues pruned to eliminate duplicates Z: 26 25.214 1.991 0.767 0.633 0.960 0.640 CB 1.318 26 residues pruned to eliminate duplicates Z: 60 38.923 2.026 0.690 0.636 0.932 0.542 CB 1.397 60 residues pruned to eliminate duplicates Z: 65 40.094 2.089 0.593 0.568 0.922 0.516 CA 1.530 65 residues pruned to eliminate duplicates Z: 47 31.319 2.113 0.576 0.512 0.913 0.522 CB 1.501 48 residues pruned to eliminate duplicates Z: 11 22.206 2.085 0.781 0.778 0.900 0.700 CA 1.644 11 residues pruned to eliminate duplicates Z: 44 29.437 2.075 0.543 0.529 0.930 0.512 CB 1.465 44 residues pruned to eliminate duplicates Z: 22 20.804 2.071 0.651 0.584 1.000 0.619 CB 1.224 22 residues pruned to eliminate duplicates Z: 51 34.302 1.980 0.657 0.635 0.920 0.620 CB 1.416 51 residues pruned to eliminate duplicates Z: 49 34.194 2.080 0.594 0.524 0.958 0.583 CB 1.517 48 residues pruned to eliminate duplicates Z: 12 26.470 2.051 1.072 0.798 0.909 0.636 CB 1.591 12 residues pruned to eliminate duplicates Z: 26 22.219 1.998 0.598 0.558 1.000 0.520 CB 1.316 26 residues pruned to eliminate duplicates Z: 25 28.198 2.048 0.716 0.629 1.000 0.583 CB 1.451 25 residues pruned to eliminate duplicates Z: 25 23.210 2.021 0.769 0.600 1.000 0.500 CB 1.205 25 residues pruned to eliminate duplicates Z: 66 39.440 2.094 0.578 0.578 0.923 0.554 CA 1.488 66 residues pruned to eliminate duplicates Z: 31 21.002 2.102 0.501 0.421 0.833 0.533 CA 1.583 31 residues pruned to eliminate duplicates Z: 6 3.448 1.780 0.633 0.304 0.800 0.400 CA 0.824 Z: 31 22.120 2.077 0.495 0.421 0.867 0.500 CA 1.630 31 residues pruned to eliminate duplicates Z: 45 40.145 2.074 0.682 0.677 1.000 0.432 CA 1.474 45 residues pruned to eliminate duplicates Z: 11 8.504 2.013 0.254 0.338 0.900 0.200 CA 1.412 11 residues pruned to eliminate duplicates Z: 33 20.693 2.102 0.396 0.409 0.875 0.594 CB 1.568 33 residues pruned to eliminate duplicates Z: 43 26.165 2.085 0.367 0.525 0.905 0.524 CB 1.527 43 residues pruned to eliminate duplicates Z: 33 22.964 2.032 0.577 0.451 0.906 0.562 CA 1.469 31 residues pruned to eliminate duplicates 6 0.923 1.555 -0.040 0.145 0.800 0.400 CA 0.536 ? Z: 6 3.816 1.485 0.349 0.400 0.800 0.800 CB 1.183 6 residues pruned to eliminate duplicates Z: 51 26.892 2.021 0.526 0.498 0.880 0.680 CB 1.404 51 residues pruned to eliminate duplicates Z: 24 15.723 2.055 0.421 0.491 0.783 0.478 CB 1.447 24 residues pruned to eliminate duplicates Z: 75 41.117 2.063 0.510 0.594 0.946 0.622 CA 1.482 75 residues pruned to eliminate duplicates Z: 23 20.660 2.053 0.553 0.477 0.864 0.591 CB 1.638 25 residues pruned to eliminate duplicates Z: 10 12.146 1.861 0.491 0.748 0.889 0.556 CA 1.315 10 residues pruned to eliminate duplicates Z: 26 16.613 2.020 0.471 0.386 0.800 0.520 CA 1.576 25 residues pruned to eliminate duplicates Z: 10 14.534 1.761 0.701 0.865 1.000 0.778 CA 1.186 13 residues pruned to eliminate duplicates Z: 11 15.521 1.733 0.831 0.791 1.000 0.600 CB 1.198 11 residues pruned to eliminate duplicates Z: 11 17.089 1.789 0.729 0.861 1.000 0.800 CA 1.284 11 residues pruned to eliminate duplicates Z: 24 19.689 2.092 0.555 0.475 0.826 0.696 CA 1.567 23 residues pruned to eliminate duplicates Z: 11 12.465 1.957 0.838 0.641 0.800 0.500 CA 1.200 11 residues pruned to eliminate duplicates Z: 6 2.009 1.901 0.659 0.100 0.400 0.200 CA 1.187 6 residues pruned to eliminate duplicates Z: 14 12.887 1.948 0.540 0.310 0.923 0.385 CB 1.594 14 residues pruned to eliminate duplicates Z: 12 9.026 2.007 0.526 0.311 0.909 0.545 CB 1.205 12 residues pruned to eliminate duplicates Z: 12 9.546 2.000 0.524 0.304 0.818 0.455 CA 1.435 12 residues pruned to eliminate duplicates Z: 12 8.191 2.015 0.666 0.244 0.727 0.636 CB 1.361 12 residues pruned to eliminate duplicates Z: 21 7.610 1.775 0.445 0.199 0.750 0.350 CB 1.266 21 residues pruned to eliminate duplicates Z: 14 8.258 1.866 0.543 0.264 0.769 0.462 CB 1.353 14 residues pruned to eliminate duplicates Z: 14 12.876 1.884 0.554 0.289 1.000 0.462 CB 1.546 15 residues pruned to eliminate duplicates Z: 6 6.592 2.086 0.380 0.337 1.000 0.800 CB 1.224 6 residues pruned to eliminate duplicates Z: 12 10.474 1.930 0.689 0.344 0.818 0.727 CB 1.403 12 residues pruned to eliminate duplicates Z: 16 6.001 1.738 0.381 0.209 0.800 0.267 CB 1.138 16 residues pruned to eliminate duplicates Z: 11 5.407 1.887 0.274 0.189 0.800 0.400 CB 1.291 11 residues pruned to eliminate duplicates Z: 12 7.310 1.893 0.431 0.248 0.818 0.273 CB 1.330 12 residues pruned to eliminate duplicates Z: 13 5.476 1.787 0.295 0.205 0.750 0.333 CB 1.291 13 residues pruned to eliminate duplicates Z: 12 5.749 1.914 0.353 0.159 0.818 0.364 CB 1.242 12 residues pruned to eliminate duplicates Z: 13 5.855 1.791 0.298 0.229 0.833 0.333 CB 1.197 13 residues pruned to eliminate duplicates Z: 14 7.204 1.688 0.515 0.244 0.846 0.308 N 1.241 14 residues pruned to eliminate duplicates Z: 14 8.927 1.837 0.497 0.282 0.846 0.231 CB 1.362 14 residues pruned to eliminate duplicates Z: 24 11.245 1.834 0.413 0.363 0.739 0.522 CA 1.419 24 residues pruned to eliminate duplicates Z: 14 7.789 1.863 0.272 0.325 0.769 0.462 CB 1.437 14 residues pruned to eliminate duplicates Z: 11 9.602 1.840 0.717 0.408 0.700 0.600 N 1.512 11 residues pruned to eliminate duplicates Z: 14 11.140 1.919 0.309 0.420 0.846 0.538 CA 1.581 14 residues pruned to eliminate duplicates Z: 13 10.556 1.980 0.508 0.363 0.750 0.500 N 1.575 13 residues pruned to eliminate duplicates Z: 13 9.717 1.896 0.539 0.341 0.750 0.417 N 1.525 13 residues pruned to eliminate duplicates Z: 10 9.448 1.982 0.502 0.387 0.778 0.667 CA 1.533 10 residues pruned to eliminate duplicates Z: 12 9.910 1.818 0.626 0.359 0.818 0.545 N 1.439 12 residues pruned to eliminate duplicates Z: 57 37.707 2.103 0.589 0.570 0.911 0.625 CA 1.547 68 residues pruned to eliminate duplicates Z: 6 2.362 1.299 0.445 0.374 0.800 0.600 C 0.805 6 residues pruned to eliminate duplicates Z: 56 39.427 2.154 0.665 0.559 0.891 0.655 CA 1.571 56 residues pruned to eliminate duplicates Z: 45 41.163 2.212 0.566 0.626 0.977 0.682 CA 1.629 45 residues pruned to eliminate duplicates Z: 53 45.660 2.175 0.704 0.588 0.981 0.615 CA 1.601 53 residues pruned to eliminate duplicates Z: 46 38.566 2.186 0.493 0.639 0.956 0.600 CA 1.618 46 residues pruned to eliminate duplicates Z: 52 41.218 2.207 0.631 0.602 0.922 0.549 CA 1.579 52 residues pruned to eliminate duplicates Z: 51 39.949 2.176 0.592 0.604 0.940 0.580 CB 1.571 51 residues pruned to eliminate duplicates Z: 48 35.956 2.145 0.482 0.591 0.957 0.596 CA 1.579 48 residues pruned to eliminate duplicates Z: 47 41.999 2.141 0.677 0.632 0.957 0.543 CA 1.592 47 residues pruned to eliminate duplicates Z: 20 22.963 2.139 0.837 0.526 0.947 0.474 CA 1.379 20 residues pruned to eliminate duplicates Z: 32 25.895 1.988 0.695 0.541 0.871 0.290 CA 1.522 32 residues pruned to eliminate duplicates Z: 38 32.400 2.124 0.622 0.592 0.946 0.514 CA 1.496 38 residues pruned to eliminate duplicates Z: 51 43.398 2.193 0.533 0.635 0.980 0.580 CA 1.641 51 residues pruned to eliminate duplicates Z: 51 42.660 2.186 0.625 0.620 0.960 0.600 CB 1.579 51 residues pruned to eliminate duplicates Z: 56 34.737 2.104 0.576 0.578 0.891 0.527 CA 1.471 56 residues pruned to eliminate duplicates Z: 43 44.013 2.169 0.726 0.674 0.976 0.548 CA 1.583 43 residues pruned to eliminate duplicates Z: 34 42.922 2.239 0.749 0.748 0.939 0.545 CB 1.628 34 residues pruned to eliminate duplicates Z: 32 38.320 2.218 0.721 0.617 0.968 0.516 CA 1.667 32 residues pruned to eliminate duplicates Z: 54 40.951 2.157 0.602 0.608 0.943 0.566 CA 1.557 54 residues pruned to eliminate duplicates Z: 47 42.374 2.180 0.671 0.612 0.957 0.543 CA 1.612 47 residues pruned to eliminate duplicates Z: 44 47.361 2.225 0.742 0.644 1.000 0.605 CA 1.629 44 residues pruned to eliminate duplicates Z: 53 38.656 2.133 0.734 0.603 0.885 0.519 CA 1.486 53 residues pruned to eliminate duplicates Z: 36 44.473 2.239 0.816 0.679 0.971 0.400 CA 1.615 36 residues pruned to eliminate duplicates Z: 54 44.373 2.160 0.735 0.597 0.943 0.547 CB 1.572 54 residues pruned to eliminate duplicates Z: 52 42.543 2.212 0.645 0.603 0.902 0.451 CA 1.646 52 residues pruned to eliminate duplicates Z: 46 44.249 2.179 0.745 0.629 0.956 0.400 CA 1.609 46 residues pruned to eliminate duplicates Z: 46 40.978 2.137 0.666 0.647 0.933 0.556 CA 1.602 46 residues pruned to eliminate duplicates Z: 41 38.447 2.170 0.733 0.654 0.900 0.475 CB 1.556 41 residues pruned to eliminate duplicates Z: 54 49.524 2.150 0.879 0.609 0.962 0.528 CB 1.578 54 residues pruned to eliminate duplicates Z: 53 40.004 2.176 0.569 0.607 0.962 0.500 CA 1.527 53 residues pruned to eliminate duplicates Z: 24 21.819 2.119 0.529 0.540 0.913 0.522 CB 1.478 24 residues pruned to eliminate duplicates Z: 46 44.682 2.188 0.717 0.643 0.978 0.422 CB 1.587 46 residues pruned to eliminate duplicates Z: 54 38.022 2.148 0.594 0.607 0.906 0.566 CA 1.522 54 residues pruned to eliminate duplicates Z: 55 42.046 2.152 0.617 0.577 0.963 0.500 CB 1.585 55 residues pruned to eliminate duplicates Z: 56 39.252 2.128 0.691 0.555 0.873 0.473 CA 1.597 56 residues pruned to eliminate duplicates Z: 50 46.282 2.211 0.712 0.658 0.939 0.633 CB 1.606 50 residues pruned to eliminate duplicates Z: 47 40.847 2.155 0.662 0.608 0.935 0.478 CB 1.623 47 residues pruned to eliminate duplicates Z: 43 42.511 2.162 0.852 0.656 0.952 0.429 CB 1.488 43 residues pruned to eliminate duplicates Z: 56 42.188 2.123 0.695 0.609 0.945 0.473 CA 1.508 56 residues pruned to eliminate duplicates Z: 53 45.093 2.161 0.701 0.617 0.962 0.577 CA 1.584 53 residues pruned to eliminate duplicates Z: 55 43.314 2.165 0.640 0.624 0.944 0.519 CA 1.563 55 residues pruned to eliminate duplicates Z: 53 42.678 2.193 0.600 0.624 0.962 0.577 CB 1.561 53 residues pruned to eliminate duplicates Z: 49 49.801 2.197 0.762 0.666 0.979 0.521 CA 1.626 49 residues pruned to eliminate duplicates Z: 56 39.727 2.135 0.623 0.573 0.927 0.527 CA 1.553 56 residues pruned to eliminate duplicates Z: 50 45.534 2.204 0.665 0.657 0.939 0.531 CA 1.632 50 residues pruned to eliminate duplicates Z: 75 47.037 2.157 0.703 0.537 0.932 0.554 CA 1.539 75 residues pruned to eliminate duplicates Z: 75 47.188 2.176 0.697 0.545 0.892 0.527 CA 1.594 75 residues pruned to eliminate duplicates Z: 73 48.333 2.196 0.693 0.514 0.944 0.500 CB 1.600 73 residues pruned to eliminate duplicates Z: 74 48.654 2.180 0.663 0.560 0.959 0.603 CA 1.545 74 residues pruned to eliminate duplicates Z: 26 22.160 2.125 0.733 0.385 0.920 0.560 CA 1.478 26 residues pruned to eliminate duplicates Z: 12 13.240 2.114 0.841 0.294 1.000 0.545 CA 1.292 12 residues pruned to eliminate duplicates Z: 67 44.368 2.163 0.667 0.517 0.955 0.545 CA 1.560 67 residues pruned to eliminate duplicates Z: 32 25.351 2.172 0.804 0.382 0.903 0.548 CB 1.459 32 residues pruned to eliminate duplicates Z: 64 49.679 2.242 0.830 0.555 0.905 0.556 CB 1.598 64 residues pruned to eliminate duplicates Z: 21 20.336 2.254 0.828 0.306 0.900 0.600 CA 1.521 21 residues pruned to eliminate duplicates Z: 75 46.874 2.161 0.713 0.544 0.932 0.486 CB 1.512 75 residues pruned to eliminate duplicates Z: 24 21.227 2.186 0.732 0.329 0.913 0.522 CB 1.544 24 residues pruned to eliminate duplicates Z: 75 46.419 2.171 0.736 0.517 0.905 0.527 CB 1.555 75 residues pruned to eliminate duplicates Z: 24 23.248 2.186 0.861 0.368 0.913 0.565 CA 1.503 24 residues pruned to eliminate duplicates Z: 23 21.115 2.209 0.798 0.310 0.864 0.364 CB 1.621 23 residues pruned to eliminate duplicates Z: 75 45.023 2.164 0.657 0.495 0.919 0.459 CA 1.596 75 residues pruned to eliminate duplicates Z: 22 21.806 2.251 0.717 0.365 0.905 0.667 CA 1.573 22 residues pruned to eliminate duplicates Z: 25 22.189 2.126 0.773 0.386 0.917 0.625 CA 1.480 25 residues pruned to eliminate duplicates Z: 72 38.905 2.124 0.730 0.441 0.859 0.507 CB 1.554 72 residues pruned to eliminate duplicates Z: 73 49.455 2.210 0.737 0.535 0.903 0.514 CB 1.624 73 residues pruned to eliminate duplicates Z: 24 19.647 2.149 0.715 0.378 0.913 0.652 CA 1.386 24 residues pruned to eliminate duplicates Z: 26 20.223 2.052 0.735 0.383 0.960 0.560 CA 1.339 26 residues pruned to eliminate duplicates Z: 78 38.993 2.101 0.447 0.540 0.948 0.584 CB 1.482 78 residues pruned to eliminate duplicates Z: 110 53.572 2.142 0.538 0.549 0.917 0.569 CB 1.618 111 residues pruned to eliminate duplicates Z: 112 55.549 2.136 0.605 0.546 0.910 0.622 CB 1.615 112 residues pruned to eliminate duplicates Z: 38 22.840 2.046 0.583 0.336 0.946 0.514 CA 1.466 38 residues pruned to eliminate duplicates Z: 15 12.430 1.873 0.313 0.501 1.000 0.786 CA 1.350 15 residues pruned to eliminate duplicates Z: 17 19.117 2.180 0.070 0.654 1.000 0.688 N 1.775 17 residues pruned to eliminate duplicates Z: 27 16.282 1.986 0.279 0.519 0.808 0.615 CB 1.528 27 residues pruned to eliminate duplicates Z: 16 11.113 1.934 0.253 0.323 0.933 0.533 CB 1.541 16 residues pruned to eliminate duplicates Z: 11 9.805 2.061 0.066 0.443 0.900 0.700 N 1.663 11 residues pruned to eliminate duplicates Z: 34 20.895 2.024 0.331 0.597 0.879 0.545 CB 1.400 30 residues pruned to eliminate duplicates Z: 17 19.463 2.192 0.280 0.651 1.000 0.875 CA 1.507 17 residues pruned to eliminate duplicates Z: 8 3.139 2.027 -0.038 0.202 0.714 0.571 CA 1.212 8 residues pruned to eliminate duplicates Z: 29 25.353 2.041 0.321 0.705 0.964 0.821 CB 1.530 29 residues pruned to eliminate duplicates Z: 17 21.533 2.208 0.197 0.662 1.000 0.625 CA 1.752 17 residues pruned to eliminate duplicates Z: 33 19.988 2.052 0.402 0.528 0.812 0.562 CB 1.471 33 residues pruned to eliminate duplicates Z: 36 20.642 2.062 0.193 0.583 0.886 0.514 CB 1.480 36 residues pruned to eliminate duplicates Z: 30 22.997 2.097 0.285 0.670 0.862 0.552 CB 1.573 30 residues pruned to eliminate duplicates Z: 36 19.585 2.050 0.270 0.593 0.829 0.543 CB 1.404 36 residues pruned to eliminate duplicates Z: 24 18.290 2.038 0.401 0.559 0.783 0.565 CB 1.612 24 residues pruned to eliminate duplicates Z: 15 17.756 2.235 0.213 0.637 0.929 0.714 CB 1.657 15 residues pruned to eliminate duplicates Z: 25 26.896 2.172 0.418 0.747 0.875 0.833 CB 1.635 25 residues pruned to eliminate duplicates Z: 34 24.424 2.065 0.321 0.644 0.879 0.485 CB 1.549 34 residues pruned to eliminate duplicates Z: 41 24.944 2.041 0.487 0.577 0.900 0.525 CB 1.341 54 residues pruned to eliminate duplicates Z: 17 22.311 2.090 0.711 0.845 0.875 0.438 CB 1.325 17 residues pruned to eliminate duplicates Z: 30 23.155 2.099 0.369 0.634 0.897 0.517 CB 1.471 30 residues pruned to eliminate duplicates Z: 32 20.499 2.048 0.459 0.604 0.806 0.419 CB 1.384 32 residues pruned to eliminate duplicates Z: 37 23.856 2.047 0.473 0.594 0.861 0.500 CB 1.399 37 residues pruned to eliminate duplicates Z: 37 25.931 2.057 0.521 0.598 0.833 0.583 CB 1.509 37 residues pruned to eliminate duplicates Z: 31 23.791 2.079 0.527 0.614 0.867 0.433 CB 1.417 31 residues pruned to eliminate duplicates Z: 38 15.796 1.911 0.339 0.479 0.811 0.324 CB 1.279 38 residues pruned to eliminate duplicates Z: 35 12.448 1.916 0.400 0.353 0.794 0.441 CB 1.174 35 residues pruned to eliminate duplicates Z: 19 6.613 1.727 0.205 0.270 0.833 0.278 CB 1.166 19 residues pruned to eliminate duplicates Z: 14 5.185 1.669 0.187 0.305 0.769 0.385 CA 1.172 14 residues pruned to eliminate duplicates Z: 36 25.422 2.088 0.339 0.612 0.886 0.543 CB 1.560 36 residues pruned to eliminate duplicates Z: 7 3.795 1.999 0.266 0.403 0.667 0.333 CB 1.017 7 residues pruned to eliminate duplicates Z: 8 3.266 1.733 0.302 0.290 0.571 0.286 CB 1.212 8 residues pruned to eliminate duplicates Z: 6 2.273 1.977 0.155 0.329 0.400 0.200 CB 1.343 6 residues pruned to eliminate duplicates Z: 7 3.316 1.874 0.259 0.307 0.500 0.167 CB 1.422 7 residues pruned to eliminate duplicates Z: 25 14.182 1.956 0.365 0.375 0.875 0.625 CB 1.416 25 residues pruned to eliminate duplicates Z: 25 11.843 1.907 0.356 0.409 0.875 0.458 CB 1.176 25 residues pruned to eliminate duplicates Z: 16 6.793 1.933 0.290 0.335 0.733 0.333 CB 1.149 16 residues pruned to eliminate duplicates Z: 22 11.198 1.907 0.409 0.352 0.810 0.524 CB 1.318 22 residues pruned to eliminate duplicates Z: 25 13.111 1.906 0.432 0.338 0.917 0.583 CB 1.277 25 residues pruned to eliminate duplicates Z: 10 7.711 1.949 0.408 0.334 0.889 0.667 CB 1.263 10 residues pruned to eliminate duplicates Z: 24 14.410 1.960 0.375 0.363 0.913 0.739 CB 1.416 24 residues pruned to eliminate duplicates Z: 23 12.677 1.929 0.402 0.377 0.864 0.500 CB 1.319 23 residues pruned to eliminate duplicates Z: 23 12.434 1.882 0.509 0.382 0.864 0.500 CB 1.226 23 residues pruned to eliminate duplicates Z: 26 12.085 1.839 0.325 0.389 0.880 0.600 CB 1.268 26 residues pruned to eliminate duplicates Z: 29 10.800 1.811 0.222 0.425 0.857 0.536 CB 1.163 29 residues pruned to eliminate duplicates Z: 13 7.248 1.952 0.067 0.438 0.833 0.417 CB 1.285 13 residues pruned to eliminate duplicates Z: 13 9.624 2.010 0.406 0.383 0.833 0.750 CB 1.335 13 residues pruned to eliminate duplicates Z: 13 6.777 1.898 0.152 0.344 0.917 0.250 CB 1.157 13 residues pruned to eliminate duplicates Z: 31 18.782 1.955 0.472 0.423 0.867 0.567 CB 1.489 40 residues pruned to eliminate duplicates Z: 7 4.173 1.544 0.551 0.327 0.833 0.500 CA 1.032 7 residues pruned to eliminate duplicates Z: 9 3.046 1.845 0.512 0.119 0.500 0.500 CA 1.247 9 residues pruned to eliminate duplicates Z: 16 5.495 1.739 0.331 0.189 0.667 0.533 N 1.333 16 residues pruned to eliminate duplicates Z: 8 4.723 1.939 0.332 0.157 0.714 0.571 CA 1.473 8 residues pruned to eliminate duplicates Z: 12 10.524 1.893 0.758 0.531 0.727 0.545 CA 1.271 12 residues pruned to eliminate duplicates Z: 40 17.643 1.931 0.397 0.386 0.897 0.513 CB 1.318 40 residues pruned to eliminate duplicates Z: 13 8.807 1.965 0.416 0.299 0.833 0.417 CA 1.372 13 residues pruned to eliminate duplicates Z: 14 9.403 1.761 0.630 0.445 0.769 0.538 CB 1.251 14 residues pruned to eliminate duplicates Z: 21 11.352 1.910 0.578 0.317 0.800 0.350 CA 1.288 21 residues pruned to eliminate duplicates Z: 21 14.458 2.009 0.428 0.423 0.900 0.600 CA 1.357 21 residues pruned to eliminate duplicates Z: 7 7.970 1.661 0.457 0.591 1.000 0.833 N 1.232 7 residues pruned to eliminate duplicates Z: 58 39.521 2.056 0.605 0.583 0.947 0.684 CA 1.546 58 residues pruned to eliminate duplicates Z: 10 7.329 1.925 0.755 0.256 0.778 0.222 CA 1.229 10 residues pruned to eliminate duplicates Z: 9 6.477 2.010 0.764 0.213 0.750 0.375 CA 1.207 9 residues pruned to eliminate duplicates Z: 24 17.275 2.008 0.463 0.465 0.957 0.522 CA 1.329 24 residues pruned to eliminate duplicates Z: 20 13.880 2.038 0.602 0.366 0.842 0.579 CA 1.338 20 residues pruned to eliminate duplicates Z: 29 17.026 2.017 0.441 0.383 0.929 0.536 CA 1.350 29 residues pruned to eliminate duplicates Z: 14 10.177 1.989 0.504 0.315 0.846 0.615 CB 1.368 14 residues pruned to eliminate duplicates Z: 23 12.970 1.920 0.646 0.302 0.818 0.545 CA 1.334 23 residues pruned to eliminate duplicates Z: 40 26.217 1.889 0.638 0.484 0.897 0.590 CA 1.536 40 residues pruned to eliminate duplicates Z: 14 7.189 1.983 0.139 0.319 0.846 0.385 CA 1.275 14 residues pruned to eliminate duplicates Z: 20 14.392 1.929 0.683 0.373 0.895 0.474 CA 1.301 20 residues pruned to eliminate duplicates Z: 53 28.996 1.978 0.513 0.590 0.904 0.692 CA 1.363 53 residues pruned to eliminate duplicates Z: 47 33.285 2.049 0.546 0.605 0.935 0.696 CA 1.500 47 residues pruned to eliminate duplicates Z: 53 37.161 2.059 0.666 0.563 0.942 0.712 CA 1.500 53 residues pruned to eliminate duplicates Z: 48 34.300 2.067 0.534 0.602 0.957 0.681 CA 1.495 48 residues pruned to eliminate duplicates Z: 35 19.560 2.018 0.417 0.450 0.853 0.588 CA 1.447 35 residues pruned to eliminate duplicates Z: 47 36.745 2.096 0.597 0.590 0.935 0.652 CA 1.588 47 residues pruned to eliminate duplicates Z: 28 19.195 1.969 0.497 0.431 0.963 0.556 CA 1.398 28 residues pruned to eliminate duplicates Z: 38 33.351 2.060 0.511 0.626 0.973 0.676 CA 1.608 38 residues pruned to eliminate duplicates Z: 22 22.032 2.018 0.900 0.428 0.905 0.619 CA 1.494 22 residues pruned to eliminate duplicates Z: 18 11.707 1.905 0.752 0.357 0.824 0.529 CA 1.206 18 residues pruned to eliminate duplicates Z: 18 12.830 1.892 0.807 0.365 0.706 0.471 CA 1.491 18 residues pruned to eliminate duplicates Z: 37 31.819 2.048 0.561 0.657 0.972 0.778 CA 1.475 37 residues pruned to eliminate duplicates Z: 38 34.264 2.080 0.591 0.667 0.919 0.730 CA 1.587 38 residues pruned to eliminate duplicates Z: 38 35.588 2.079 0.616 0.656 0.919 0.676 CA 1.639 38 residues pruned to eliminate duplicates Z: 28 29.528 2.062 0.429 0.691 1.000 0.815 CA 1.620 28 residues pruned to eliminate duplicates Z: 22 27.011 2.050 0.373 0.797 1.000 0.905 CB 1.614 22 residues pruned to eliminate duplicates Z: 33 37.142 2.119 0.500 0.775 1.000 0.781 CA 1.621 33 residues pruned to eliminate duplicates Z: 30 30.162 2.064 0.623 0.660 0.931 0.655 CA 1.548 30 residues pruned to eliminate duplicates Z: 37 35.813 2.084 0.600 0.677 0.944 0.694 CA 1.610 37 residues pruned to eliminate duplicates Z: 20 25.784 2.186 0.755 0.536 0.947 0.684 CA 1.571 20 residues pruned to eliminate duplicates Z: 28 34.114 2.152 0.542 0.696 0.963 0.741 CA 1.718 28 residues pruned to eliminate duplicates Z: 34 32.583 2.049 0.606 0.680 0.939 0.758 CB 1.555 34 residues pruned to eliminate duplicates Z: 35 40.246 2.044 0.696 0.718 0.971 0.765 CA 1.685 35 residues pruned to eliminate duplicates Z: 21 42.247 2.223 0.710 0.906 1.000 0.750 CB 1.768 21 residues pruned to eliminate duplicates Z: 42 45.085 2.129 0.838 0.695 0.927 0.659 CA 1.626 42 residues pruned to eliminate duplicates Z: 50 31.133 2.003 0.654 0.502 0.898 0.571 CA 1.493 50 residues pruned to eliminate duplicates Z: 42 42.207 2.108 0.781 0.658 0.902 0.585 CA 1.680 42 residues pruned to eliminate duplicates Z: 30 27.564 2.008 0.715 0.710 0.828 0.552 CB 1.485 30 residues pruned to eliminate duplicates Z: 34 40.776 2.080 0.781 0.711 0.970 0.576 CB 1.631 34 residues pruned to eliminate duplicates Z: 26 29.746 2.062 0.773 0.744 0.880 0.560 CB 1.486 25 residues pruned to eliminate duplicates Z: 22 48.156 2.194 0.911 0.924 1.000 0.524 CB 1.760 23 residues pruned to eliminate duplicates Z: 15 22.819 1.955 0.823 0.876 0.929 0.643 CB 1.340 14 residues pruned to eliminate duplicates Z: 21 41.674 2.152 0.899 0.874 1.000 0.600 CB 1.660 21 residues pruned to eliminate duplicates Z: 36 47.513 2.127 0.846 0.684 0.971 0.571 CA 1.779 37 residues pruned to eliminate duplicates Z: 22 43.021 2.192 0.845 0.911 0.952 0.571 CB 1.727 22 residues pruned to eliminate duplicates Z: 19 38.306 2.080 0.931 0.869 1.000 0.778 CA 1.642 19 residues pruned to eliminate duplicates 569 residues left after pruning, divided into chains as follows: A: 8 B: 7 C: 7 D: 6 E: 10 F: 11 G: 7 H: 28 I: 42 J: 20 K: 38 L: 9 M: 35 N: 18 O: 25 P: 81 Q: 10 R: 207 CC for partial structure against native data = 21.12 % ------------------------------------------------------------------------------ Global autotracing cycle 17 = 0.300, Contrast = 0.416, Connect. = 0.683 for dens.mod. cycle 1 = 0.300, Contrast = 0.476, Connect. = 0.703 for dens.mod. cycle 2 = 0.300, Contrast = 0.553, Connect. = 0.738 for dens.mod. cycle 3 = 0.300, Contrast = 0.559, Connect. = 0.743 for dens.mod. cycle 4 = 0.300, Contrast = 0.566, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.570, Connect. = 0.750 for dens.mod. cycle 6 = 0.300, Contrast = 0.574, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.576, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.577, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.578, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6784 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1202 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 8 4.910 1.866 0.014 0.321 0.857 0.429 CB 1.393 B: 25 19.493 2.165 0.764 0.345 0.833 0.458 CA 1.480 C: 16 21.754 2.227 0.641 0.842 0.867 0.733 CB 1.321 D: 17 12.769 1.853 0.471 0.469 0.875 0.625 N 1.381 E: 21 10.704 1.995 0.356 0.423 0.900 0.450 CB 1.066 F: 23 31.037 2.081 0.335 0.896 1.000 0.818 CA 1.705 G: 21 39.071 2.282 0.719 0.917 0.950 0.850 CA 1.655 H: 18 20.070 2.152 0.337 0.824 0.941 0.824 CB 1.357 16 residues pruned to eliminate duplicates I: 17 33.134 2.086 1.113 0.903 0.938 0.562 CA 1.429 17 residues pruned to eliminate duplicates J: 14 8.785 1.897 0.229 0.473 0.923 0.615 CB 1.164 13 residues pruned to eliminate duplicates K: 17 24.795 2.166 0.675 0.894 0.938 0.750 CB 1.307 17 residues pruned to eliminate duplicates L: 20 37.531 2.217 0.732 0.912 1.000 0.684 CA 1.588 20 residues pruned to eliminate duplicates M: 18 19.899 2.185 0.514 0.818 0.882 0.529 CB 1.256 18 residues pruned to eliminate duplicates N: 21 33.553 2.079 0.779 0.892 1.000 0.500 CA 1.457 21 residues pruned to eliminate duplicates O: 11 16.516 1.749 0.669 0.879 1.000 0.800 CB 1.297 P: 21 40.584 2.253 0.716 0.883 1.000 0.600 CA 1.697 21 residues pruned to eliminate duplicates Q: 11 29.978 2.202 0.901 0.931 1.000 0.700 CB 1.582 R: 11 23.689 2.136 0.678 0.915 1.000 0.900 CA 1.477 10 residues pruned to eliminate duplicates S: 18 36.918 2.275 0.722 0.912 1.000 0.471 CA 1.619 18 residues pruned to eliminate duplicates T: 14 24.421 2.043 0.562 0.898 1.000 0.846 CB 1.518 14 residues pruned to eliminate duplicates U: 21 43.224 2.232 0.862 0.916 1.000 0.650 CB 1.642 22 residues pruned to eliminate duplicates V: 15 11.241 1.912 0.732 0.402 0.786 0.500 CA 1.280 W: 16 23.267 2.237 0.580 0.893 0.933 0.667 CB 1.307 17 residues pruned to eliminate duplicates X: 12 28.392 2.094 0.810 0.883 1.000 0.727 CB 1.633 12 residues pruned to eliminate duplicates Y: 18 35.773 2.234 0.839 0.849 0.941 0.529 CB 1.664 17 residues pruned to eliminate duplicates Z: 52 41.484 2.182 0.653 0.619 0.902 0.451 CB 1.595 23 residues pruned to eliminate duplicates Z: 21 38.573 2.178 0.499 0.905 1.000 0.800 CB 1.880 23 residues pruned to eliminate duplicates Z: 10 8.528 1.711 0.559 0.467 0.778 0.444 CB 1.416 Z: 19 35.839 2.218 0.671 0.907 1.000 0.889 CA 1.621 19 residues pruned to eliminate duplicates Z: 22 44.443 2.185 0.962 0.908 1.000 0.619 CA 1.608 22 residues pruned to eliminate duplicates Z: 66 30.989 2.044 0.457 0.480 0.862 0.569 CA 1.529 44 residues pruned to eliminate duplicates Z: 24 17.008 2.083 0.580 0.416 0.870 0.522 CB 1.352 10 residues pruned to eliminate duplicates Z: 11 17.653 1.823 0.820 0.870 1.000 0.700 CB 1.228 11 residues pruned to eliminate duplicates Z: 23 34.582 2.117 0.614 0.860 0.955 0.773 CB 1.661 23 residues pruned to eliminate duplicates Z: 11 12.172 2.234 0.054 0.829 1.000 0.700 CB 1.230 11 residues pruned to eliminate duplicates Z: 6 4.285 1.917 0.316 0.412 0.800 0.600 N 1.041 6 residues pruned to eliminate duplicates Z: 18 14.622 1.873 0.521 0.461 0.882 0.588 CA 1.468 Z: 20 33.647 2.124 0.583 0.880 1.000 0.789 CB 1.664 20 residues pruned to eliminate duplicates Z: 21 48.897 2.311 0.918 0.928 1.000 0.650 CA 1.727 21 residues pruned to eliminate duplicates Z: 39 22.332 2.027 0.441 0.480 0.895 0.605 CA 1.414 Z: 22 34.941 2.160 0.619 0.908 0.905 0.667 CB 1.713 22 residues pruned to eliminate duplicates Z: 19 25.641 2.087 0.343 0.856 0.889 0.667 CA 1.789 19 residues pruned to eliminate duplicates Z: 18 12.050 2.120 0.147 0.475 0.941 0.647 CB 1.311 12 residues pruned to eliminate duplicates Z: 72 47.826 2.208 0.721 0.527 0.901 0.592 CA 1.613 75 residues pruned to eliminate duplicates Z: 47 28.348 2.100 0.441 0.488 0.913 0.587 CB 1.531 16 residues pruned to eliminate duplicates Z: 24 13.567 1.999 0.263 0.491 0.783 0.522 CA 1.445 24 residues pruned to eliminate duplicates Z: 8 6.108 1.786 -0.047 0.408 1.000 0.286 N 1.494 Z: 21 35.916 2.267 0.694 0.896 0.900 0.500 CA 1.664 21 residues pruned to eliminate duplicates Z: 11 10.125 1.972 0.540 0.382 0.800 0.500 N 1.494 Z: 6 4.500 1.590 0.563 0.246 0.800 0.200 CB 1.355 Z: 10 8.886 1.862 0.420 0.618 0.778 0.444 CB 1.288 Z: 41 26.450 1.984 0.312 0.622 0.950 0.700 CB 1.507 27 residues pruned to eliminate duplicates Z: 13 12.977 2.170 0.410 0.397 0.833 0.500 CA 1.638 Z: 16 25.058 2.291 0.700 0.871 0.733 0.467 CA 1.651 16 residues pruned to eliminate duplicates Z: 16 11.702 1.877 0.367 0.469 0.867 0.600 N 1.402 16 residues pruned to eliminate duplicates Z: 10 3.892 1.668 0.167 0.507 0.778 0.556 CB 0.851 Z: 21 20.295 2.231 0.551 0.331 0.950 0.600 CA 1.662 21 residues pruned to eliminate duplicates Z: 22 40.305 2.159 0.712 0.926 1.000 0.762 CB 1.669 22 residues pruned to eliminate duplicates Z: 9 15.795 1.900 0.384 0.857 1.000 0.750 CA 1.565 10 residues pruned to eliminate duplicates Z: 20 41.624 2.323 0.793 0.908 0.947 0.368 CA 1.719 20 residues pruned to eliminate duplicates Z: 6 12.842 2.026 0.609 0.828 0.800 0.400 N 1.658 6 residues pruned to eliminate duplicates Z: 13 6.942 1.749 0.255 0.463 0.917 0.500 CB 1.034 Z: 29 19.111 2.027 0.489 0.447 0.857 0.643 CA 1.475 27 residues pruned to eliminate duplicates Z: 12 28.498 2.082 0.842 0.911 1.000 0.818 CA 1.588 12 residues pruned to eliminate duplicates Z: 25 13.559 2.006 0.217 0.417 0.875 0.583 CB 1.413 25 residues pruned to eliminate duplicates Z: 19 10.978 2.010 0.448 0.351 0.722 0.444 CA 1.447 13 residues pruned to eliminate duplicates Z: 10 12.026 1.713 0.529 0.806 0.889 0.778 CB 1.318 8 residues pruned to eliminate duplicates Z: 18 22.229 2.132 0.526 0.860 0.941 0.706 CB 1.294 18 residues pruned to eliminate duplicates Z: 42 28.563 2.132 0.749 0.406 0.878 0.512 CB 1.504 42 residues pruned to eliminate duplicates Z: 21 19.467 1.956 0.425 0.897 0.950 0.800 CA 1.177 7 residues pruned to eliminate duplicates Z: 22 31.138 2.143 0.628 0.859 0.905 0.667 CA 1.584 22 residues pruned to eliminate duplicates Z: 10 9.905 1.834 0.822 0.512 0.778 0.778 CB 1.255 13 residues pruned to eliminate duplicates Z: 47 28.039 2.093 0.634 0.484 0.848 0.478 CB 1.449 47 residues pruned to eliminate duplicates Z: 35 14.245 2.024 0.273 0.371 0.853 0.529 CB 1.276 Z: 25 16.193 1.984 0.590 0.431 0.875 0.583 CB 1.287 25 residues pruned to eliminate duplicates Z: 11 23.149 2.180 0.565 0.892 1.000 0.800 CA 1.541 11 residues pruned to eliminate duplicates Z: 12 28.926 2.097 0.902 0.885 1.000 0.727 CA 1.578 12 residues pruned to eliminate duplicates Z: 14 14.306 2.045 0.255 0.893 1.000 0.769 CA 1.110 14 residues pruned to eliminate duplicates Z: 11 14.634 1.977 0.866 0.775 0.800 0.600 CB 1.230 11 residues pruned to eliminate duplicates Z: 18 22.938 2.145 0.554 0.829 0.941 0.765 CB 1.334 18 residues pruned to eliminate duplicates Z: 46 27.175 2.115 0.417 0.511 0.911 0.578 CB 1.467 47 residues pruned to eliminate duplicates Z: 26 16.942 1.963 0.493 0.427 0.880 0.480 CB 1.417 26 residues pruned to eliminate duplicates Z: 10 12.147 1.712 0.549 0.822 0.889 0.667 CA 1.298 10 residues pruned to eliminate duplicates Z: 29 13.203 1.956 0.351 0.407 0.750 0.536 CA 1.388 41 residues pruned to eliminate duplicates Z: 51 47.068 2.219 0.713 0.644 0.940 0.620 CA 1.629 49 residues pruned to eliminate duplicates Z: 9 10.500 2.117 0.119 0.549 1.000 0.750 N 1.495 9 residues pruned to eliminate duplicates Z: 20 29.713 2.129 0.833 0.893 0.947 0.737 CA 1.324 20 residues pruned to eliminate duplicates Z: 22 30.548 2.115 0.599 0.852 0.905 0.333 CB 1.611 22 residues pruned to eliminate duplicates Z: 38 26.564 2.110 0.492 0.513 0.946 0.703 CA 1.448 50 residues pruned to eliminate duplicates Z: 6 4.552 1.642 0.172 0.653 0.800 0.600 CB 1.147 Z: 25 16.796 1.984 0.554 0.372 0.875 0.583 CB 1.458 15 residues pruned to eliminate duplicates Z: 21 32.503 2.186 0.606 0.915 1.000 0.800 CA 1.463 21 residues pruned to eliminate duplicates Z: 16 31.050 2.036 1.004 0.791 0.933 0.533 CA 1.630 16 residues pruned to eliminate duplicates Z: 13 6.643 1.739 0.289 0.693 0.750 0.333 CB 0.956 10 residues pruned to eliminate duplicates Z: 21 30.571 2.015 0.500 0.900 0.950 0.800 CA 1.701 21 residues pruned to eliminate duplicates Z: 18 11.238 1.906 0.128 0.514 0.941 0.647 CB 1.329 20 residues pruned to eliminate duplicates Z: 21 41.729 2.237 0.808 0.900 1.000 0.750 CA 1.648 21 residues pruned to eliminate duplicates Z: 11 9.184 1.978 0.362 0.521 0.900 0.500 CA 1.173 Z: 22 39.936 2.167 0.822 0.912 0.952 0.476 CB 1.641 22 residues pruned to eliminate duplicates Z: 13 11.442 2.078 0.386 0.493 0.750 0.500 CA 1.540 13 residues pruned to eliminate duplicates Z: 20 17.347 1.907 0.477 0.870 0.947 0.684 CA 1.088 20 residues pruned to eliminate duplicates Z: 10 5.095 1.356 0.551 0.354 0.889 0.333 CB 1.064 Z: 39 26.125 2.019 0.527 0.490 0.947 0.737 CB 1.466 37 residues pruned to eliminate duplicates Z: 7 10.740 1.911 0.326 0.588 1.000 0.500 C 1.591 Z: 6 7.315 2.056 0.308 0.446 0.800 0.400 CA 1.608 Z: 10 9.017 1.802 0.492 0.848 0.889 0.444 CA 0.933 10 residues pruned to eliminate duplicates Z: 15 7.190 1.693 0.539 0.239 0.714 0.500 CB 1.398 15 residues pruned to eliminate duplicates Z: 17 14.542 2.086 0.022 0.832 0.938 0.875 CB 1.366 17 residues pruned to eliminate duplicates Z: 12 12.355 1.993 0.439 0.569 0.909 0.727 CB 1.336 Z: 17 14.079 1.981 0.486 0.417 0.812 0.562 CB 1.606 17 residues pruned to eliminate duplicates Z: 21 16.722 1.895 0.337 0.865 1.000 0.900 CA 1.081 21 residues pruned to eliminate duplicates Z: 8 10.972 2.001 0.211 0.836 1.000 0.714 CB 1.281 8 residues pruned to eliminate duplicates Z: 15 15.073 2.010 0.367 0.927 0.929 0.643 CA 1.107 15 residues pruned to eliminate duplicates Z: 10 12.817 1.819 0.339 0.864 1.000 0.778 CA 1.286 10 residues pruned to eliminate duplicates Z: 20 22.540 2.074 0.591 0.898 0.947 0.632 CB 1.183 20 residues pruned to eliminate duplicates Z: 25 13.115 1.899 0.391 0.335 0.833 0.458 CA 1.455 26 residues pruned to eliminate duplicates Z: 18 21.979 2.151 0.430 0.885 0.882 0.765 CB 1.418 18 residues pruned to eliminate duplicates Z: 24 10.845 1.713 0.682 0.346 0.913 0.565 CB 1.016 24 residues pruned to eliminate duplicates Z: 7 11.991 1.889 0.696 0.661 0.833 0.667 N 1.580 Z: 11 16.407 1.756 0.729 0.868 1.000 0.700 CA 1.249 12 residues pruned to eliminate duplicates Z: 17 40.615 2.218 1.085 0.890 0.938 0.438 CA 1.685 17 residues pruned to eliminate duplicates Z: 9 4.475 1.739 0.024 0.405 0.875 0.625 CA 1.122 9 residues pruned to eliminate duplicates Z: 71 53.200 2.227 0.734 0.554 0.929 0.600 CB 1.683 74 residues pruned to eliminate duplicates Z: 66 44.297 2.105 0.651 0.599 0.923 0.523 CA 1.559 63 residues pruned to eliminate duplicates Z: 21 35.431 2.201 0.720 0.913 1.000 0.850 CA 1.481 21 residues pruned to eliminate duplicates Z: 7 5.767 1.618 0.170 0.514 1.000 0.667 CA 1.227 7 residues pruned to eliminate duplicates Z: 54 38.011 2.167 0.515 0.554 0.943 0.509 CA 1.599 54 residues pruned to eliminate duplicates Z: 42 33.777 2.060 0.418 0.681 0.951 0.732 CA 1.608 42 residues pruned to eliminate duplicates Z: 22 43.791 2.162 0.936 0.876 1.000 0.762 CB 1.658 22 residues pruned to eliminate duplicates Z: 20 20.998 2.045 0.363 0.832 1.000 0.579 CB 1.297 20 residues pruned to eliminate duplicates Z: 8 12.842 1.974 1.028 0.567 0.857 0.714 CA 1.326 8 residues pruned to eliminate duplicates Z: 38 33.219 2.031 0.623 0.653 0.919 0.649 CA 1.563 38 residues pruned to eliminate duplicates Z: 10 12.360 1.709 0.913 0.783 0.889 0.667 CA 1.105 12 residues pruned to eliminate duplicates Z: 10 7.356 1.831 0.252 0.475 0.778 0.444 CA 1.411 18 residues pruned to eliminate duplicates Z: 14 13.237 1.987 0.329 0.522 1.000 0.692 CA 1.359 14 residues pruned to eliminate duplicates Z: 22 28.171 2.072 0.607 0.852 0.857 0.524 CB 1.593 22 residues pruned to eliminate duplicates Z: 25 19.154 2.034 0.588 0.489 0.917 0.500 CB 1.335 19 residues pruned to eliminate duplicates Z: 13 11.187 1.931 0.562 0.379 0.917 0.667 CB 1.328 12 residues pruned to eliminate duplicates Z: 39 21.818 2.065 0.363 0.489 0.895 0.553 CA 1.421 39 residues pruned to eliminate duplicates Z: 19 16.524 2.078 0.394 0.467 0.889 0.556 CA 1.565 19 residues pruned to eliminate duplicates Z: 37 30.893 2.137 0.570 0.543 0.917 0.611 CB 1.606 37 residues pruned to eliminate duplicates Z: 12 34.267 2.122 1.176 0.895 1.000 0.545 CB 1.604 12 residues pruned to eliminate duplicates Z: 18 9.670 2.081 0.165 0.344 0.765 0.647 CB 1.499 18 residues pruned to eliminate duplicates Z: 18 11.014 1.963 0.495 0.380 0.824 0.529 CB 1.256 12 residues pruned to eliminate duplicates Z: 11 17.163 2.076 0.332 0.824 0.900 0.900 CA 1.648 11 residues pruned to eliminate duplicates Z: 19 9.710 1.884 0.467 0.325 0.778 0.278 CA 1.290 9 residues pruned to eliminate duplicates Z: 11 18.853 2.088 0.336 0.882 1.000 0.700 CA 1.546 11 residues pruned to eliminate duplicates Z: 11 30.197 2.214 0.960 0.861 1.000 0.700 CA 1.616 11 residues pruned to eliminate duplicates Z: 7 6.010 1.718 0.494 0.643 0.833 0.500 CB 1.004 Z: 23 33.813 1.997 0.604 0.928 1.000 0.864 CA 1.576 23 residues pruned to eliminate duplicates Z: 11 28.834 2.224 0.967 0.894 0.900 0.800 CB 1.662 11 residues pruned to eliminate duplicates Z: 9 5.231 1.927 0.045 0.500 0.875 0.375 CB 1.050 9 residues pruned to eliminate duplicates Z: 22 34.209 2.127 0.568 0.919 0.905 0.524 CB 1.744 22 residues pruned to eliminate duplicates Z: 11 8.641 1.727 0.644 0.350 0.800 0.600 CA 1.416 11 residues pruned to eliminate duplicates Z: 16 8.318 1.980 0.014 0.390 0.800 0.533 CB 1.504 16 residues pruned to eliminate duplicates Z: 38 28.321 2.115 0.514 0.505 0.973 0.703 CA 1.487 40 residues pruned to eliminate duplicates Z: 36 16.019 2.023 0.225 0.359 0.886 0.457 CB 1.436 34 residues pruned to eliminate duplicates Z: 25 17.891 2.038 0.539 0.510 0.833 0.500 CB 1.384 25 residues pruned to eliminate duplicates Z: 6 2.484 1.753 0.470 0.437 0.800 0.600 CB 0.575 Z: 6 3.940 1.754 0.288 0.448 0.600 0.600 N 1.372 5 residues pruned to eliminate duplicates Z: 24 15.137 1.855 0.593 0.518 0.783 0.478 CB 1.340 24 residues pruned to eliminate duplicates Z: 48 47.061 2.214 0.710 0.678 0.936 0.617 CA 1.644 48 residues pruned to eliminate duplicates Z: 40 33.017 2.167 0.656 0.580 0.897 0.538 CA 1.520 37 residues pruned to eliminate duplicates Z: 11 6.749 1.979 0.283 0.334 0.800 0.700 CB 1.259 Z: 50 41.658 2.205 0.616 0.628 0.959 0.653 CA 1.544 50 residues pruned to eliminate duplicates Z: 16 25.707 2.187 0.659 0.898 1.000 0.800 CB 1.309 16 residues pruned to eliminate duplicates Z: 20 28.318 2.087 0.903 0.849 0.842 0.316 CA 1.439 20 residues pruned to eliminate duplicates Z: 16 20.882 1.980 0.801 0.923 0.867 0.600 CA 1.226 16 residues pruned to eliminate duplicates Z: 20 17.343 1.999 0.567 0.541 1.000 0.684 CB 1.220 20 residues pruned to eliminate duplicates Z: 7 10.380 2.013 0.670 0.554 0.833 0.667 CB 1.435 7 residues pruned to eliminate duplicates Z: 10 10.990 1.777 0.532 0.848 0.889 0.667 CA 1.123 10 residues pruned to eliminate duplicates Z: 44 44.569 2.224 0.700 0.662 0.930 0.651 CA 1.663 44 residues pruned to eliminate duplicates Z: 38 27.483 2.107 0.573 0.523 0.919 0.703 CA 1.449 38 residues pruned to eliminate duplicates Z: 51 43.401 2.191 0.667 0.633 0.920 0.520 CA 1.611 52 residues pruned to eliminate duplicates Z: 9 6.018 1.371 0.348 0.621 0.875 0.625 CB 1.174 9 residues pruned to eliminate duplicates Z: 28 17.149 2.039 0.442 0.393 0.926 0.630 CA 1.358 28 residues pruned to eliminate duplicates Z: 13 11.922 2.034 0.407 0.432 0.833 0.500 CA 1.549 13 residues pruned to eliminate duplicates Z: 21 18.545 2.011 0.428 0.542 0.850 0.650 CB 1.631 21 residues pruned to eliminate duplicates Z: 21 11.051 2.042 0.203 0.397 0.900 0.500 CB 1.246 19 residues pruned to eliminate duplicates Z: 11 19.463 2.123 0.699 0.732 1.000 0.600 CB 1.386 11 residues pruned to eliminate duplicates Z: 10 7.886 1.923 0.409 0.404 0.778 0.667 CB 1.380 10 residues pruned to eliminate duplicates Z: 15 12.388 2.133 -0.036 0.595 0.857 0.714 CA 1.716 15 residues pruned to eliminate duplicates Z: 22 33.721 2.069 0.566 0.892 1.000 0.619 CB 1.632 22 residues pruned to eliminate duplicates Z: 14 13.253 1.963 0.577 0.469 0.923 0.769 CB 1.327 11 residues pruned to eliminate duplicates Z: 9 12.444 1.982 0.903 0.675 1.000 0.875 CA 0.993 9 residues pruned to eliminate duplicates Z: 21 42.898 2.211 1.020 0.908 0.900 0.650 CA 1.694 21 residues pruned to eliminate duplicates Z: 30 22.895 2.033 0.467 0.547 1.000 0.621 CB 1.361 28 residues pruned to eliminate duplicates Z: 36 26.894 2.030 0.475 0.661 0.943 0.771 CB 1.386 37 residues pruned to eliminate duplicates Z: 6 3.934 1.482 0.543 0.834 1.000 0.600 CB 0.577 6 residues pruned to eliminate duplicates Z: 27 12.688 1.998 0.268 0.313 0.923 0.500 CB 1.309 21 residues pruned to eliminate duplicates Z: 10 15.022 1.802 0.449 0.884 1.000 1.000 CB 1.385 10 residues pruned to eliminate duplicates Z: 87 45.157 2.157 0.662 0.497 0.884 0.500 CA 1.542 87 residues pruned to eliminate duplicates Z: 71 49.540 2.226 0.690 0.544 0.943 0.486 CA 1.599 71 residues pruned to eliminate duplicates Z: 17 23.107 2.146 0.746 0.860 0.938 0.750 CB 1.209 17 residues pruned to eliminate duplicates Z: 20 36.746 2.230 0.879 0.917 0.789 0.263 CB 1.798 20 residues pruned to eliminate duplicates Z: 22 14.170 1.921 0.679 0.337 0.810 0.524 CA 1.415 22 residues pruned to eliminate duplicates Z: 9 13.255 1.916 0.491 0.877 1.000 0.875 CA 1.192 9 residues pruned to eliminate duplicates Z: 34 24.122 1.971 0.416 0.601 0.909 0.727 CA 1.503 34 residues pruned to eliminate duplicates Z: 75 48.738 2.185 0.757 0.506 0.919 0.432 CA 1.597 75 residues pruned to eliminate duplicates Z: 55 40.693 2.066 0.643 0.621 0.944 0.519 CB 1.540 55 residues pruned to eliminate duplicates Z: 11 11.170 1.949 0.586 0.701 0.800 0.700 CB 1.190 10 residues pruned to eliminate duplicates Z: 19 8.539 1.921 0.075 0.417 0.833 0.500 CB 1.276 18 residues pruned to eliminate duplicates Z: 42 30.007 2.064 0.466 0.575 0.951 0.707 CA 1.514 42 residues pruned to eliminate duplicates Z: 17 12.432 1.938 0.099 0.900 0.938 0.688 CA 1.112 17 residues pruned to eliminate duplicates Z: 11 8.915 1.884 0.222 0.792 0.900 0.600 CB 1.053 13 residues pruned to eliminate duplicates Z: 39 24.630 2.049 0.488 0.487 0.895 0.553 CB 1.484 39 residues pruned to eliminate duplicates Z: 27 13.054 1.947 0.607 0.358 0.885 0.385 CB 1.078 27 residues pruned to eliminate duplicates Z: 12 11.382 1.975 0.696 0.340 0.909 0.727 CB 1.341 12 residues pruned to eliminate duplicates Z: 11 8.940 1.441 0.557 0.865 0.900 0.700 CB 1.026 Z: 9 8.076 1.746 0.399 0.547 0.875 0.500 CA 1.275 8 residues pruned to eliminate duplicates Z: 38 29.061 2.019 0.358 0.695 0.946 0.703 CA 1.542 38 residues pruned to eliminate duplicates Z: 22 34.005 2.109 0.564 0.889 0.952 0.714 CB 1.701 22 residues pruned to eliminate duplicates Z: 10 5.724 1.482 0.089 0.503 0.889 0.444 N 1.326 Z: 8 6.728 1.862 0.839 0.295 0.714 0.286 CA 1.309 Z: 21 10.382 1.916 0.377 0.329 0.850 0.500 CB 1.249 21 residues pruned to eliminate duplicates Z: 18 20.129 1.888 0.779 0.877 0.941 0.588 CA 1.122 18 residues pruned to eliminate duplicates Z: 21 18.381 2.110 0.337 0.562 0.900 0.700 CB 1.525 21 residues pruned to eliminate duplicates Z: 18 8.134 1.942 0.099 0.429 0.882 0.588 CB 1.127 18 residues pruned to eliminate duplicates Z: 10 5.643 1.829 0.072 0.458 0.778 0.556 CB 1.288 10 residues pruned to eliminate duplicates Z: 22 39.063 2.153 0.692 0.894 1.000 0.762 CB 1.678 22 residues pruned to eliminate duplicates Z: 18 22.654 2.110 0.821 0.898 0.941 0.588 CB 1.087 18 residues pruned to eliminate duplicates Z: 12 8.761 1.739 0.437 0.366 0.818 0.545 N 1.492 12 residues pruned to eliminate duplicates Z: 29 16.594 2.007 0.502 0.426 0.857 0.571 CB 1.310 28 residues pruned to eliminate duplicates Z: 12 15.099 2.077 0.271 0.573 1.000 0.909 N 1.608 12 residues pruned to eliminate duplicates Z: 8 3.536 1.388 0.217 0.612 0.714 0.571 C 0.996 Z: 9 3.477 1.584 0.064 0.623 0.750 0.500 CB 0.866 Z: 10 11.637 2.024 0.622 0.793 0.889 0.444 CB 1.028 10 residues pruned to eliminate duplicates Z: 18 6.587 1.688 0.370 0.423 0.765 0.412 CB 0.980 Z: 11 9.770 2.014 0.286 0.438 0.900 0.900 CB 1.413 11 residues pruned to eliminate duplicates Z: 38 15.833 1.962 0.445 0.371 0.784 0.486 CB 1.345 24 residues pruned to eliminate duplicates Z: 58 22.945 1.986 0.367 0.439 0.842 0.491 CB 1.416 102 residues pruned to eliminate duplicates Z: 7 5.472 1.898 0.183 0.559 0.667 0.667 CA 1.410 7 residues pruned to eliminate duplicates Z: 28 13.310 1.927 0.253 0.363 0.889 0.481 CB 1.384 Z: 10 9.473 1.941 0.717 0.414 0.778 0.444 CB 1.333 10 residues pruned to eliminate duplicates Z: 43 17.440 1.869 0.519 0.397 0.786 0.476 CB 1.345 37 residues pruned to eliminate duplicates Z: 21 18.098 2.182 0.556 0.450 0.850 0.550 CA 1.476 21 residues pruned to eliminate duplicates Z: 63 35.126 2.058 0.596 0.560 0.887 0.468 CB 1.444 63 residues pruned to eliminate duplicates Z: 6 6.199 1.587 0.196 0.628 1.000 0.800 CB 1.294 6 residues pruned to eliminate duplicates Z: 17 8.232 1.832 0.260 0.326 0.812 0.562 CB 1.328 11 residues pruned to eliminate duplicates Z: 20 26.790 2.074 0.461 0.885 1.000 0.842 CB 1.464 20 residues pruned to eliminate duplicates Z: 19 19.435 2.050 0.400 0.829 0.889 0.778 CB 1.351 19 residues pruned to eliminate duplicates Z: 8 3.199 1.851 -0.007 0.304 0.857 0.571 CB 0.954 8 residues pruned to eliminate duplicates Z: 88 51.527 2.146 0.726 0.500 0.920 0.563 CB 1.622 100 residues pruned to eliminate duplicates Z: 18 24.601 2.089 0.587 0.888 1.000 0.765 CB 1.297 18 residues pruned to eliminate duplicates Z: 40 21.443 1.999 0.359 0.373 0.949 0.564 CA 1.527 40 residues pruned to eliminate duplicates Z: 21 13.848 1.982 0.429 0.495 0.950 0.700 CB 1.157 21 residues pruned to eliminate duplicates Z: 21 26.078 2.008 0.619 0.864 1.000 0.700 CB 1.315 21 residues pruned to eliminate duplicates Z: 54 37.029 2.143 0.576 0.613 0.887 0.642 CA 1.525 54 residues pruned to eliminate duplicates Z: 13 6.680 1.875 0.341 0.374 0.833 0.667 CA 1.053 13 residues pruned to eliminate duplicates Z: 31 27.734 1.992 0.438 0.604 0.933 0.600 CA 1.716 31 residues pruned to eliminate duplicates Z: 6 9.034 1.940 0.325 0.753 0.800 0.600 N 1.567 6 residues pruned to eliminate duplicates Z: 17 8.573 1.619 0.582 0.453 0.812 0.500 CB 1.081 18 residues pruned to eliminate duplicates Z: 21 40.229 2.266 0.871 0.892 0.900 0.300 CB 1.694 21 residues pruned to eliminate duplicates Z: 26 13.863 2.082 0.259 0.426 0.840 0.520 CA 1.360 26 residues pruned to eliminate duplicates Z: 6 4.817 1.651 0.132 0.619 1.000 0.800 CB 1.029 6 residues pruned to eliminate duplicates Z: 10 4.613 1.486 0.570 0.349 0.667 0.444 C 1.164 8 residues pruned to eliminate duplicates Z: 7 10.115 1.884 0.348 0.660 1.000 0.833 CB 1.402 3 residues pruned to eliminate duplicates Z: 6 2.714 1.348 0.612 0.445 0.600 0.400 N 0.985 Z: 11 5.271 1.690 0.164 0.379 0.800 0.300 CB 1.205 11 residues pruned to eliminate duplicates Z: 26 13.798 1.831 0.203 0.555 0.800 0.440 CB 1.485 26 residues pruned to eliminate duplicates Z: 56 43.070 2.113 0.693 0.636 0.945 0.673 CA 1.512 56 residues pruned to eliminate duplicates Z: 19 9.852 1.989 0.449 0.387 0.722 0.389 CB 1.258 19 residues pruned to eliminate duplicates Z: 8 8.860 1.825 0.382 0.826 1.000 0.571 CB 1.001 8 residues pruned to eliminate duplicates Z: 22 16.017 2.006 0.460 0.471 0.810 0.524 CA 1.518 22 residues pruned to eliminate duplicates Z: 8 11.551 2.037 0.217 0.857 0.857 0.714 CA 1.515 Z: 12 6.753 1.735 0.372 0.370 0.818 0.545 CB 1.201 12 residues pruned to eliminate duplicates Z: 8 7.199 1.885 0.592 0.368 0.857 0.429 CA 1.219 8 residues pruned to eliminate duplicates Z: 7 4.121 1.558 -0.034 0.468 1.000 0.333 CA 1.154 Z: 7 2.755 1.766 0.253 0.341 0.833 0.667 CB 0.725 7 residues pruned to eliminate duplicates Z: 8 8.405 1.705 0.439 0.742 0.857 0.571 CA 1.216 8 residues pruned to eliminate duplicates Z: 16 21.570 2.138 0.658 0.832 0.733 0.600 CA 1.608 16 residues pruned to eliminate duplicates Z: 27 19.989 2.060 0.563 0.441 0.885 0.538 CA 1.463 27 residues pruned to eliminate duplicates Z: 7 3.093 1.636 0.843 0.380 0.500 0.333 CB 0.952 Z: 23 12.111 1.905 0.386 0.396 0.909 0.545 CB 1.200 23 residues pruned to eliminate duplicates Z: 10 6.102 1.902 0.377 0.359 0.667 0.444 CA 1.356 10 residues pruned to eliminate duplicates Z: 10 5.124 1.589 0.515 0.350 0.778 0.556 CB 1.073 Z: 6 4.078 1.721 -0.130 0.803 0.800 0.800 CB 1.168 Z: 6 3.559 1.553 0.435 0.526 0.800 0.600 CB 0.870 6 residues pruned to eliminate duplicates Z: 7 2.723 1.555 -0.035 0.563 1.000 0.833 CB 0.697 Z: 6 5.781 1.970 0.021 0.524 0.800 0.800 CB 1.569 6 residues pruned to eliminate duplicates Z: 16 8.972 2.005 0.086 0.417 0.867 0.600 CB 1.338 16 residues pruned to eliminate duplicates Z: 7 2.170 1.482 0.076 0.402 0.833 0.500 CB 0.739 Z: 6 3.812 1.567 0.027 0.714 1.000 0.800 CB 0.872 Z: 12 5.965 1.616 0.541 0.265 0.727 0.364 CA 1.298 12 residues pruned to eliminate duplicates Z: 9 7.123 1.634 0.259 0.727 0.875 0.750 CB 1.141 6 residues pruned to eliminate duplicates Z: 19 12.777 1.846 0.206 0.727 0.944 0.667 CB 1.167 19 residues pruned to eliminate duplicates Z: 6 6.490 1.759 0.215 0.488 1.000 0.400 CB 1.375 6 residues pruned to eliminate duplicates Z: 8 8.760 1.596 0.720 0.558 1.000 0.571 CA 1.139 8 residues pruned to eliminate duplicates Z: 9 10.178 1.830 0.528 0.830 0.875 0.750 CA 1.106 9 residues pruned to eliminate duplicates Z: 6 8.082 1.967 0.778 0.453 1.000 1.000 CA 1.084 Z: 6 3.348 1.505 0.507 0.620 0.600 0.400 CB 0.982 Z: 11 6.725 1.854 0.271 0.424 0.800 0.400 CB 1.221 11 residues pruned to eliminate duplicates Z: 18 26.154 2.204 0.447 0.877 1.000 0.824 CB 1.444 18 residues pruned to eliminate duplicates Z: 14 6.884 1.908 0.215 0.308 0.769 0.385 CA 1.325 14 residues pruned to eliminate duplicates Z: 6 4.659 1.666 0.095 0.704 0.800 0.600 CA 1.186 6 residues pruned to eliminate duplicates Z: 12 18.587 2.066 0.671 0.832 1.000 0.364 CB 1.218 12 residues pruned to eliminate duplicates Z: 21 30.049 2.191 0.574 0.856 1.000 0.700 CA 1.437 21 residues pruned to eliminate duplicates Z: 17 17.908 2.050 0.271 0.889 1.000 0.812 CB 1.237 17 residues pruned to eliminate duplicates Z: 16 17.847 1.973 0.638 0.457 1.000 0.800 CA 1.490 17 residues pruned to eliminate duplicates Z: 20 12.636 1.851 0.503 0.399 0.895 0.632 CB 1.296 20 residues pruned to eliminate duplicates Z: 6 2.559 1.650 0.118 0.647 0.600 0.600 CA 0.901 6 residues pruned to eliminate duplicates Z: 9 4.210 1.650 0.188 0.412 0.750 0.500 CA 1.110 9 residues pruned to eliminate duplicates Z: 8 7.724 1.684 0.119 0.816 1.000 0.857 CA 1.177 8 residues pruned to eliminate duplicates Z: 13 16.536 1.982 0.466 0.590 1.000 0.500 CB 1.507 13 residues pruned to eliminate duplicates Z: 6 4.238 1.443 0.331 0.641 1.000 0.600 N 0.865 Z: 10 13.377 1.818 0.568 0.878 0.889 0.333 CA 1.277 8 residues pruned to eliminate duplicates Z: 7 4.094 1.362 0.221 0.766 1.000 0.833 CB 0.794 Z: 26 14.140 1.971 0.279 0.321 0.920 0.400 CA 1.485 25 residues pruned to eliminate duplicates Z: 10 17.215 1.906 0.679 0.875 1.000 0.889 CA 1.304 11 residues pruned to eliminate duplicates Z: 10 10.437 1.882 0.467 0.542 0.778 0.667 N 1.555 11 residues pruned to eliminate duplicates Z: 10 7.069 1.583 0.811 0.481 0.889 0.667 CB 0.943 9 residues pruned to eliminate duplicates Z: 7 2.855 1.730 -0.094 0.542 0.667 0.500 N 1.071 7 residues pruned to eliminate duplicates Z: 7 2.092 1.830 -0.068 0.386 0.667 0.500 N 0.847 Z: 28 14.282 1.962 0.644 0.412 0.815 0.407 CB 1.147 27 residues pruned to eliminate duplicates Z: 31 12.368 1.775 0.432 0.335 0.933 0.400 CB 1.141 31 residues pruned to eliminate duplicates Z: 6 3.416 1.777 -0.189 0.659 0.800 0.800 CB 1.143 Z: 17 6.418 1.530 0.449 0.358 0.875 0.500 CB 0.964 12 residues pruned to eliminate duplicates Z: 12 5.785 1.702 -0.051 0.493 0.909 0.455 CB 1.196 10 residues pruned to eliminate duplicates Z: 6 3.856 2.088 -0.065 0.433 0.800 0.400 CB 1.184 6 residues pruned to eliminate duplicates Z: 12 16.316 2.082 0.545 0.590 0.909 0.636 CB 1.544 12 residues pruned to eliminate duplicates Z: 7 5.526 1.631 0.229 0.683 1.000 0.667 CB 0.951 Z: 18 20.850 2.055 0.602 0.591 0.882 0.588 CB 1.595 16 residues pruned to eliminate duplicates Z: 22 6.058 1.752 0.699 0.193 0.619 0.333 CB 1.035 24 residues pruned to eliminate duplicates Z: 7 5.914 1.717 0.187 0.622 1.000 0.667 N 1.056 Z: 20 23.727 2.191 0.857 0.392 0.947 0.684 CA 1.584 20 residues pruned to eliminate duplicates Z: 9 18.940 2.118 0.647 0.881 1.000 0.750 CA 1.390 9 residues pruned to eliminate duplicates Z: 29 14.572 1.947 0.440 0.285 0.786 0.321 N 1.591 30 residues pruned to eliminate duplicates Z: 20 17.430 1.978 0.371 0.589 0.947 0.632 CA 1.430 20 residues pruned to eliminate duplicates Z: 23 11.230 1.972 0.509 0.377 0.773 0.455 CB 1.188 23 residues pruned to eliminate duplicates Z: 7 4.787 1.468 0.856 0.540 0.833 0.667 N 0.828 Z: 10 5.545 1.788 0.445 0.158 0.889 0.111 N 1.223 10 residues pruned to eliminate duplicates Z: 7 2.362 1.344 0.013 0.351 0.833 0.667 C 0.999 Z: 10 15.974 1.867 0.490 0.890 1.000 0.667 CA 1.378 12 residues pruned to eliminate duplicates Z: 11 8.060 1.753 0.148 0.540 0.900 0.500 CB 1.353 6 residues pruned to eliminate duplicates Z: 8 8.133 1.818 0.547 0.842 1.000 1.000 CB 0.815 8 residues pruned to eliminate duplicates Z: 19 10.890 1.863 0.357 0.468 0.889 0.611 CB 1.180 19 residues pruned to eliminate duplicates Z: 8 2.203 1.572 0.130 0.325 0.571 0.429 CB 0.994 Z: 6 2.503 1.500 0.285 0.318 0.800 0.400 CB 0.887 Z: 9 8.352 1.549 0.606 0.863 1.000 0.625 CA 0.871 Z: 17 7.675 1.891 0.180 0.378 0.812 0.625 CA 1.205 17 residues pruned to eliminate duplicates Z: 17 7.428 1.529 0.527 0.304 0.875 0.500 CA 1.131 17 residues pruned to eliminate duplicates Z: 6 4.543 1.415 0.815 0.423 1.000 0.200 CB 0.857 3 residues pruned to eliminate duplicates Z: 23 10.681 1.999 0.247 0.371 0.773 0.364 CB 1.357 23 residues pruned to eliminate duplicates Z: 17 18.091 2.088 0.248 0.797 0.938 0.812 CB 1.428 17 residues pruned to eliminate duplicates Z: 12 3.924 1.640 0.235 0.136 0.727 0.364 CB 1.263 Z: 11 2.151 1.568 0.471 0.220 0.600 0.400 CB 0.683 Z: 48 35.806 2.046 0.836 0.604 0.915 0.532 CB 1.377 58 residues pruned to eliminate duplicates 6 1.933 1.311 -0.274 0.722 1.000 0.600 N 0.743 ? Z: 34 29.049 2.088 0.409 0.670 0.909 0.697 CB 1.616 34 residues pruned to eliminate duplicates Z: 37 22.939 2.029 0.467 0.507 0.917 0.583 CA 1.391 37 residues pruned to eliminate duplicates Z: 28 16.224 1.867 0.519 0.412 0.852 0.556 CA 1.417 28 residues pruned to eliminate duplicates Z: 14 27.020 2.201 0.886 0.908 1.000 0.538 CB 1.282 14 residues pruned to eliminate duplicates Z: 9 2.334 1.438 0.501 0.336 0.875 0.750 CB 0.522 Z: 24 20.215 2.134 0.627 0.355 0.957 0.565 CA 1.484 24 residues pruned to eliminate duplicates Z: 21 17.257 1.988 0.501 0.558 0.900 0.700 CA 1.358 21 residues pruned to eliminate duplicates Z: 8 4.456 1.679 0.313 0.428 0.857 0.571 CB 0.961 8 residues pruned to eliminate duplicates Z: 10 4.975 1.674 0.546 0.562 0.556 0.556 CB 1.086 10 residues pruned to eliminate duplicates Z: 26 14.903 1.952 0.543 0.412 0.880 0.400 CB 1.233 26 residues pruned to eliminate duplicates Z: 21 15.954 1.982 0.411 0.414 0.900 0.450 CB 1.551 20 residues pruned to eliminate duplicates Z: 13 6.765 1.478 0.129 0.559 0.917 0.667 CA 1.206 10 residues pruned to eliminate duplicates Z: 26 30.627 2.191 0.778 0.618 0.920 0.560 CA 1.529 26 residues pruned to eliminate duplicates Z: 6 2.371 1.592 -0.040 0.444 0.600 0.600 CA 1.225 6 residues pruned to eliminate duplicates Z: 16 16.207 2.132 0.281 0.809 0.933 0.733 CB 1.254 16 residues pruned to eliminate duplicates Z: 7 3.138 1.532 0.507 0.484 0.667 0.333 CB 0.846 7 residues pruned to eliminate duplicates Z: 26 24.949 2.042 0.716 0.555 0.920 0.600 CA 1.467 26 residues pruned to eliminate duplicates Z: 6 3.582 1.412 0.541 0.318 1.000 0.600 CB 0.900 Z: 9 2.430 1.622 0.501 0.329 1.000 0.375 CA 0.426 9 residues pruned to eliminate duplicates Z: 6 2.744 1.472 0.728 0.405 0.800 0.600 CB 0.667 Z: 22 23.517 2.052 0.575 0.702 0.952 0.714 CB 1.386 22 residues pruned to eliminate duplicates Z: 49 38.937 2.098 0.600 0.600 0.979 0.667 CA 1.555 72 residues pruned to eliminate duplicates Z: 18 10.314 2.022 0.261 0.436 0.765 0.647 CA 1.372 18 residues pruned to eliminate duplicates Z: 7 3.944 1.485 0.626 0.402 0.833 0.500 CB 0.888 Z: 6 3.616 1.443 0.667 0.230 0.800 0.600 C 1.151 Z: 11 13.531 1.860 0.899 0.533 0.900 0.600 N 1.302 11 residues pruned to eliminate duplicates Z: 33 12.747 2.001 0.224 0.370 0.812 0.469 CB 1.302 33 residues pruned to eliminate duplicates Z: 20 51.840 2.255 1.227 0.916 1.000 0.632 CA 1.672 20 residues pruned to eliminate duplicates Z: 12 13.073 1.980 0.332 0.692 0.909 0.636 CB 1.379 12 residues pruned to eliminate duplicates 7 1.443 1.250 0.343 0.273 0.500 0.500 N 0.908 ? Z: 11 10.927 1.927 0.344 0.454 1.000 0.200 CA 1.399 11 residues pruned to eliminate duplicates Z: 6 2.871 1.228 0.997 0.396 0.800 0.600 CB 0.730 Z: 24 12.334 1.919 0.386 0.450 0.870 0.478 CB 1.171 24 residues pruned to eliminate duplicates Z: 19 23.429 2.125 0.412 0.886 1.000 0.778 CB 1.328 19 residues pruned to eliminate duplicates Z: 8 4.344 1.538 0.287 0.436 0.857 0.286 CB 1.033 Z: 12 5.352 1.825 0.555 0.164 0.636 0.273 N 1.346 7 residues pruned to eliminate duplicates Z: 6 3.787 1.663 -0.068 0.605 1.000 0.600 C 0.989 6 1.345 1.279 0.580 0.200 0.600 0.200 CA 0.709 ? Z: 7 2.493 1.319 0.397 0.171 0.833 0.167 O 0.987 Z: 7 3.674 1.414 0.252 0.488 1.000 0.667 CB 0.858 Z: 18 9.391 1.822 0.231 0.443 0.882 0.588 CA 1.221 16 residues pruned to eliminate duplicates 6 1.412 1.326 0.158 0.111 0.800 0.400 CB 0.841 ? Z: 7 2.093 1.619 -0.177 0.338 0.833 0.667 CB 0.918 7 residues pruned to eliminate duplicates Z: 6 5.580 1.364 1.270 0.458 0.800 0.600 C 1.051 Z: 7 7.987 1.565 0.481 0.859 0.833 0.667 C 1.242 7 residues pruned to eliminate duplicates Z: 38 22.063 2.077 0.509 0.508 0.865 0.649 CA 1.327 38 residues pruned to eliminate duplicates Z: 17 12.765 2.079 0.445 0.469 0.812 0.562 CB 1.349 17 residues pruned to eliminate duplicates 6 1.989 1.446 0.136 0.311 0.800 0.400 CB 0.834 ? Z: 29 17.969 1.971 0.510 0.425 0.929 0.643 CA 1.330 29 residues pruned to eliminate duplicates Z: 21 10.174 1.774 0.382 0.408 0.900 0.500 CB 1.135 21 residues pruned to eliminate duplicates Z: 7 4.314 1.597 0.464 0.327 0.833 0.667 CA 1.094 Z: 6 4.303 1.466 0.077 0.616 1.000 0.800 O 1.092 Z: 12 9.892 1.937 0.518 0.329 0.818 0.273 CB 1.496 12 residues pruned to eliminate duplicates Z: 6 9.251 1.665 0.783 0.857 1.000 0.600 CA 1.027 6 residues pruned to eliminate duplicates 7 1.808 1.508 0.038 0.221 0.667 0.500 CB 0.981 ? Z: 11 3.631 1.471 0.519 0.206 0.800 0.500 N 0.910 Z: 13 9.018 1.889 0.300 0.358 0.917 0.667 CA 1.347 13 residues pruned to eliminate duplicates Z: 7 8.365 1.752 1.015 0.572 0.833 0.833 CA 1.082 7 residues pruned to eliminate duplicates 6 1.709 1.164 0.675 0.329 0.800 0.400 C 0.591 ? 6 1.277 1.360 0.070 0.300 0.800 0.400 CB 0.614 ? Z: 51 26.635 2.004 0.329 0.581 0.880 0.540 CB 1.487 51 residues pruned to eliminate duplicates Z: 6 2.179 1.416 0.044 0.295 0.800 0.600 CB 1.037 Z: 6 2.635 1.317 0.150 0.354 0.800 0.800 O 1.138 Z: 6 3.190 1.565 -0.252 0.774 0.800 0.600 N 1.196 Z: 13 6.038 1.681 0.281 0.457 0.917 0.667 CB 0.922 13 residues pruned to eliminate duplicates Z: 13 12.676 2.017 0.444 0.450 0.917 0.500 CA 1.443 15 residues pruned to eliminate duplicates Z: 11 8.540 1.693 0.486 0.457 0.900 0.500 CA 1.246 8 residues pruned to eliminate duplicates Z: 6 2.925 1.377 0.389 0.420 0.800 0.200 N 0.930 Z: 22 28.065 2.032 0.467 0.886 0.952 0.524 CB 1.556 22 residues pruned to eliminate duplicates Z: 35 23.471 1.995 0.672 0.465 0.794 0.353 CA 1.574 35 residues pruned to eliminate duplicates Z: 21 13.658 2.015 0.232 0.496 0.950 0.650 CB 1.301 21 residues pruned to eliminate duplicates 6 0.795 1.128 0.187 0.170 0.800 0.400 CB 0.495 ? Z: 10 13.816 1.809 0.714 0.848 1.000 0.778 CA 1.103 10 residues pruned to eliminate duplicates Z: 22 16.241 2.030 0.443 0.529 0.905 0.619 CB 1.299 22 residues pruned to eliminate duplicates Z: 7 2.860 1.562 0.102 0.371 0.833 0.500 CB 0.934 Z: 6 2.807 1.553 0.221 0.244 1.000 0.600 CB 0.890 5 residues pruned to eliminate duplicates Z: 18 8.162 1.865 0.358 0.323 0.824 0.176 CB 1.153 18 residues pruned to eliminate duplicates Z: 11 9.616 1.847 0.423 0.442 0.900 0.700 CB 1.364 11 residues pruned to eliminate duplicates Z: 7 2.285 1.514 0.008 0.244 0.833 0.500 CB 0.986 8 1.912 1.371 0.155 0.307 0.714 0.714 CB 0.792 ? Z: 9 3.861 1.529 0.315 0.305 0.875 0.500 CB 0.964 Z: 7 4.467 1.448 0.348 0.481 1.000 0.333 CB 0.952 Z: 6 9.970 1.820 0.717 0.543 1.000 0.400 CA 1.368 6 residues pruned to eliminate duplicates Z: 9 2.167 1.347 0.131 0.263 0.750 0.250 CA 0.879 Z: 7 2.464 1.298 0.079 0.389 0.833 0.667 C 0.970 Z: 49 30.956 2.055 0.699 0.585 0.792 0.354 CB 1.491 49 residues pruned to eliminate duplicates Z: 24 21.626 2.075 0.751 0.406 0.957 0.696 CA 1.432 24 residues pruned to eliminate duplicates Z: 29 14.970 1.910 0.370 0.436 0.929 0.500 CA 1.244 29 residues pruned to eliminate duplicates Z: 30 25.504 1.969 0.703 0.519 0.897 0.552 CB 1.546 30 residues pruned to eliminate duplicates Z: 33 12.303 1.901 0.384 0.407 0.812 0.531 CB 1.121 33 residues pruned to eliminate duplicates Z: 26 13.319 1.933 0.470 0.379 0.720 0.440 CB 1.481 26 residues pruned to eliminate duplicates Z: 16 9.409 1.823 0.317 0.460 0.867 0.667 CB 1.215 16 residues pruned to eliminate duplicates Z: 46 34.407 2.100 0.657 0.530 0.933 0.644 CB 1.533 43 residues pruned to eliminate duplicates 6 1.749 1.139 0.350 0.436 0.600 0.400 CA 0.906 ? Z: 8 2.861 1.657 -0.090 0.359 0.857 0.571 CB 0.975 Z: 10 8.551 1.727 0.684 0.484 0.889 0.222 CB 1.121 10 residues pruned to eliminate duplicates Z: 9 5.114 1.610 0.072 0.562 0.875 0.625 CB 1.128 6 residues pruned to eliminate duplicates Z: 6 3.112 1.322 0.150 0.478 1.000 0.800 CB 0.935 Z: 39 23.058 1.992 0.490 0.483 0.895 0.684 CB 1.432 39 residues pruned to eliminate duplicates Z: 8 2.991 1.323 0.649 0.373 0.571 0.286 O 1.039 Z: 15 6.291 1.966 0.201 0.338 0.857 0.643 CB 0.992 11 residues pruned to eliminate duplicates Z: 7 2.384 1.577 0.365 0.435 0.833 0.500 CA 0.581 Z: 13 6.838 1.739 0.374 0.269 0.917 0.500 CB 1.172 13 residues pruned to eliminate duplicates Z: 15 16.890 2.095 0.412 0.588 1.000 0.500 CB 1.403 15 residues pruned to eliminate duplicates Z: 23 10.972 1.776 0.326 0.407 0.864 0.500 CB 1.269 18 residues pruned to eliminate duplicates Z: 7 6.304 1.376 0.914 0.430 1.000 0.833 N 1.051 Z: 71 46.490 2.186 0.652 0.522 0.957 0.586 CA 1.572 71 residues pruned to eliminate duplicates Z: 8 2.290 1.255 0.455 0.444 0.714 0.429 N 0.703 Z: 16 10.006 2.033 0.087 0.381 0.867 0.467 CB 1.532 16 residues pruned to eliminate duplicates Z: 14 16.341 1.989 0.501 0.558 1.000 0.615 CB 1.434 14 residues pruned to eliminate duplicates Z: 19 39.600 2.293 0.967 0.923 0.889 0.389 CB 1.636 19 residues pruned to eliminate duplicates Z: 8 2.371 1.374 0.204 0.314 0.857 0.571 CB 0.777 Z: 23 19.064 1.991 0.597 0.479 0.864 0.545 CA 1.512 23 residues pruned to eliminate duplicates Z: 6 2.594 1.199 0.815 0.478 1.000 0.600 CB 0.545 Z: 10 4.117 1.697 0.265 0.477 0.778 0.444 CB 0.841 9 residues pruned to eliminate duplicates Z: 6 3.043 1.660 0.595 0.299 0.600 0.400 CB 1.073 6 1.066 1.437 -0.048 0.541 0.600 0.600 CA 0.559 ? Z: 9 4.596 1.702 0.086 0.352 0.750 0.375 CB 1.374 Z: 14 7.212 1.765 0.475 0.289 0.846 0.462 CB 1.151 14 residues pruned to eliminate duplicates Z: 19 11.933 1.933 0.297 0.361 0.944 0.444 CA 1.381 20 residues pruned to eliminate duplicates Z: 7 3.003 1.499 0.030 0.306 0.833 0.500 CB 1.181 7 residues pruned to eliminate duplicates Z: 33 29.953 2.129 0.658 0.547 0.906 0.625 CB 1.581 33 residues pruned to eliminate duplicates Z: 6 2.084 1.398 0.376 0.397 1.000 0.600 CB 0.540 Z: 19 14.647 1.966 0.525 0.501 0.944 0.556 CA 1.218 19 residues pruned to eliminate duplicates Z: 9 9.512 2.188 0.228 0.436 0.750 0.500 CB 1.783 9 residues pruned to eliminate duplicates Z: 13 11.167 1.775 0.418 0.421 1.000 0.583 CB 1.391 13 residues pruned to eliminate duplicates Z: 6 2.852 1.485 0.520 0.455 0.800 0.400 CB 0.740 Z: 10 8.713 2.031 0.390 0.458 0.778 0.667 CA 1.381 10 residues pruned to eliminate duplicates Z: 14 6.756 1.652 0.464 0.380 0.846 0.538 CB 1.041 7 residues pruned to eliminate duplicates Z: 11 6.906 1.724 0.451 0.416 0.800 0.500 CA 1.191 11 residues pruned to eliminate duplicates Z: 24 29.234 1.931 0.606 0.787 0.957 0.870 CA 1.597 24 residues pruned to eliminate duplicates Z: 9 5.619 1.450 0.513 0.444 0.875 0.500 N 1.096 6 residues pruned to eliminate duplicates Z: 6 2.335 1.108 0.669 0.633 0.800 0.600 C 0.623 Z: 6 2.242 1.258 0.196 0.296 1.000 0.600 CB 0.837 Z: 6 2.289 1.564 0.327 0.100 0.800 0.600 N 1.027 Using tripeptides from previous cycle as seeds Z: 8 18.561 2.117 0.660 0.896 1.000 0.571 CB 1.430 8 residues pruned to eliminate duplicates Z: 11 19.618 1.824 0.950 0.875 0.900 0.600 CB 1.410 10 residues pruned to eliminate duplicates Z: 8 15.865 1.975 0.611 0.847 0.857 0.429 O 1.632 9 residues pruned to eliminate duplicates Z: 9 14.152 1.922 0.588 0.799 0.875 0.375 CB 1.442 9 residues pruned to eliminate duplicates Z: 14 10.914 1.987 0.159 0.603 0.846 0.538 CB 1.409 16 residues pruned to eliminate duplicates Z: 6 6.087 1.738 0.506 0.797 0.800 0.600 CB 1.002 6 residues pruned to eliminate duplicates Z: 9 10.845 2.086 0.412 0.525 0.875 0.750 CB 1.451 11 residues pruned to eliminate duplicates Z: 14 9.076 1.882 0.454 0.385 0.846 0.538 CB 1.228 10 residues pruned to eliminate duplicates Z: 14 11.164 1.910 0.673 0.437 0.846 0.538 CB 1.222 14 residues pruned to eliminate duplicates Z: 15 8.464 1.835 0.699 0.356 0.714 0.643 CB 1.187 15 residues pruned to eliminate duplicates Z: 11 8.913 1.960 0.538 0.380 0.800 0.700 CB 1.328 11 residues pruned to eliminate duplicates Z: 11 6.096 1.737 0.260 0.432 0.700 0.200 CA 1.351 8 residues pruned to eliminate duplicates Z: 6 8.759 1.685 0.400 0.613 1.000 0.400 CA 1.493 10 residues pruned to eliminate duplicates Z: 6 5.536 1.743 -0.141 0.649 1.000 0.800 CA 1.439 6 residues pruned to eliminate duplicates Z: 11 7.304 1.767 0.703 0.238 0.700 0.500 N 1.486 11 residues pruned to eliminate duplicates Z: 6 8.303 2.000 0.297 0.473 1.000 0.600 CA 1.472 6 residues pruned to eliminate duplicates Z: 11 5.869 1.851 0.518 0.267 0.600 0.500 CB 1.435 11 residues pruned to eliminate duplicates Z: 8 5.322 1.786 0.300 0.301 0.714 0.429 CB 1.515 8 residues pruned to eliminate duplicates Z: 7 8.503 1.998 0.281 0.687 0.833 0.667 CA 1.371 7 residues pruned to eliminate duplicates Z: 10 8.359 1.879 0.095 0.481 1.000 0.444 N 1.380 8 residues pruned to eliminate duplicates Z: 8 10.959 1.976 0.174 0.638 1.000 0.571 N 1.569 10 residues pruned to eliminate duplicates Z: 7 10.226 1.958 0.259 0.561 1.000 0.500 N 1.596 7 residues pruned to eliminate duplicates Z: 8 6.846 1.746 0.166 0.522 0.857 0.429 CA 1.451 7 residues pruned to eliminate duplicates Z: 9 7.528 1.828 0.145 0.560 0.875 0.500 CA 1.371 9 residues pruned to eliminate duplicates Z: 9 6.160 1.885 0.390 0.432 0.625 0.375 CA 1.427 9 residues pruned to eliminate duplicates Z: 10 8.735 1.897 0.262 0.526 0.778 0.556 CA 1.524 10 residues pruned to eliminate duplicates Z: 8 8.269 1.727 0.360 0.655 1.000 0.857 N 1.152 8 residues pruned to eliminate duplicates Z: 10 11.803 1.983 0.467 0.512 0.889 0.667 CB 1.503 10 residues pruned to eliminate duplicates Z: 12 9.259 1.851 0.387 0.501 0.909 0.636 CB 1.194 12 residues pruned to eliminate duplicates Z: 11 9.635 1.871 0.264 0.473 1.000 0.600 CB 1.324 11 residues pruned to eliminate duplicates Z: 9 10.173 2.036 0.441 0.474 0.875 0.625 CB 1.439 9 residues pruned to eliminate duplicates Z: 8 10.248 1.972 0.500 0.560 1.000 0.571 CB 1.236 17 residues pruned to eliminate duplicates Z: 10 14.029 2.006 0.513 0.521 1.000 0.556 CB 1.509 11 residues pruned to eliminate duplicates Z: 6 6.726 1.634 0.591 0.612 1.000 0.400 C 1.040 6 residues pruned to eliminate duplicates Z: 6 3.269 1.621 0.061 0.358 1.000 0.000 CA 0.990 6 residues pruned to eliminate duplicates Z: 22 16.902 2.034 0.479 0.437 0.905 0.429 CB 1.446 22 residues pruned to eliminate duplicates Z: 11 15.846 1.985 0.716 0.548 1.000 0.700 CA 1.404 12 residues pruned to eliminate duplicates Z: 6 7.679 1.622 0.705 0.456 1.000 0.600 N 1.300 6 residues pruned to eliminate duplicates Z: 23 16.517 1.953 0.360 0.509 0.909 0.591 CB 1.447 23 residues pruned to eliminate duplicates Z: 27 16.298 2.030 0.382 0.436 0.846 0.538 CA 1.439 27 residues pruned to eliminate duplicates Z: 27 16.390 2.044 0.260 0.458 0.885 0.615 CA 1.474 27 residues pruned to eliminate duplicates Z: 28 14.642 1.998 0.356 0.419 0.815 0.519 CA 1.390 28 residues pruned to eliminate duplicates Z: 28 15.834 2.010 0.338 0.438 0.889 0.519 CB 1.359 28 residues pruned to eliminate duplicates Z: 30 15.370 1.944 0.427 0.420 0.897 0.517 CB 1.248 30 residues pruned to eliminate duplicates Z: 23 18.467 2.068 0.330 0.541 0.955 0.682 CB 1.440 23 residues pruned to eliminate duplicates Z: 29 15.375 2.005 0.366 0.447 0.857 0.536 CB 1.307 29 residues pruned to eliminate duplicates Z: 28 14.429 1.972 0.292 0.394 0.889 0.519 CB 1.372 28 residues pruned to eliminate duplicates Z: 27 17.729 2.080 0.344 0.432 0.923 0.577 CB 1.446 27 residues pruned to eliminate duplicates Z: 12 11.176 2.063 0.352 0.553 0.909 0.727 CB 1.262 12 residues pruned to eliminate duplicates Z: 27 14.063 2.049 0.454 0.376 0.808 0.500 CB 1.309 27 residues pruned to eliminate duplicates Z: 30 15.367 1.967 0.497 0.401 0.828 0.517 CB 1.300 30 residues pruned to eliminate duplicates Z: 23 10.320 1.944 0.311 0.371 0.727 0.545 CB 1.363 23 residues pruned to eliminate duplicates Z: 27 17.045 2.021 0.599 0.434 0.885 0.500 CB 1.252 26 residues pruned to eliminate duplicates Z: 7 3.838 2.019 0.246 0.285 0.833 0.500 CB 0.952 7 residues pruned to eliminate duplicates Z: 40 15.169 1.988 0.211 0.287 0.872 0.487 CB 1.471 32 residues pruned to eliminate duplicates Z: 6 2.442 1.477 0.393 0.499 0.600 0.400 CB 0.885 6 residues pruned to eliminate duplicates Z: 16 12.534 2.060 0.341 0.439 0.933 0.667 CB 1.337 16 residues pruned to eliminate duplicates Z: 39 17.545 2.042 0.319 0.352 0.895 0.447 CB 1.386 40 residues pruned to eliminate duplicates Z: 7 5.316 1.439 0.304 0.533 1.000 0.833 N 1.119 7 residues pruned to eliminate duplicates Z: 34 16.235 2.001 0.276 0.410 0.909 0.455 CB 1.337 34 residues pruned to eliminate duplicates Z: 31 16.279 2.046 0.267 0.377 0.933 0.467 CB 1.401 31 residues pruned to eliminate duplicates Z: 27 13.224 2.052 0.310 0.296 0.885 0.346 CB 1.370 28 residues pruned to eliminate duplicates Z: 6 2.583 1.651 0.152 0.119 0.800 0.000 CA 1.226 6 residues pruned to eliminate duplicates Z: 41 16.870 2.051 0.262 0.304 0.875 0.425 CB 1.464 41 residues pruned to eliminate duplicates Z: 33 14.704 2.044 0.267 0.353 0.844 0.500 CB 1.396 33 residues pruned to eliminate duplicates Z: 17 11.964 2.037 0.316 0.410 0.875 0.500 CB 1.401 18 residues pruned to eliminate duplicates Z: 6 5.048 2.078 -0.094 0.358 0.800 0.200 CA 1.747 6 residues pruned to eliminate duplicates Z: 21 11.461 1.968 0.227 0.363 0.800 0.300 CB 1.537 13 residues pruned to eliminate duplicates Z: 17 10.258 1.981 0.310 0.399 0.812 0.562 CB 1.353 17 residues pruned to eliminate duplicates Z: 17 11.717 1.974 0.351 0.481 0.875 0.500 CB 1.280 17 residues pruned to eliminate duplicates Z: 32 16.619 2.076 0.272 0.398 0.871 0.516 CB 1.446 32 residues pruned to eliminate duplicates Z: 22 12.523 2.017 0.625 0.304 0.762 0.381 CA 1.361 22 residues pruned to eliminate duplicates Z: 9 5.056 1.897 0.149 0.312 0.875 0.375 CB 1.155 9 residues pruned to eliminate duplicates Z: 17 8.433 2.149 0.062 0.347 0.688 0.562 CB 1.585 17 residues pruned to eliminate duplicates Z: 19 12.761 2.091 0.409 0.374 0.778 0.389 CB 1.501 19 residues pruned to eliminate duplicates Z: 20 15.577 2.008 0.421 0.450 0.895 0.579 CA 1.474 20 residues pruned to eliminate duplicates Z: 12 7.794 2.250 0.047 0.342 0.727 0.636 CB 1.629 12 residues pruned to eliminate duplicates Z: 14 10.237 2.124 0.200 0.376 0.769 0.385 CB 1.653 14 residues pruned to eliminate duplicates Z: 20 17.072 2.062 0.480 0.498 0.842 0.421 CA 1.528 18 residues pruned to eliminate duplicates Z: 6 5.111 1.878 0.477 0.435 0.800 0.400 CA 1.102 6 residues pruned to eliminate duplicates Z: 15 7.511 1.986 0.272 0.245 0.714 0.357 CB 1.493 15 residues pruned to eliminate duplicates Z: 13 8.244 2.159 0.308 0.339 0.667 0.500 CB 1.506 13 residues pruned to eliminate duplicates Z: 20 12.924 1.890 0.362 0.410 0.895 0.474 CA 1.415 20 residues pruned to eliminate duplicates Z: 10 5.126 1.925 -0.059 0.494 0.778 0.444 CA 1.220 10 residues pruned to eliminate duplicates Z: 19 13.846 2.014 0.264 0.480 0.833 0.444 CB 1.570 19 residues pruned to eliminate duplicates Z: 19 10.090 1.989 0.337 0.332 0.722 0.444 CA 1.487 19 residues pruned to eliminate duplicates Z: 8 4.837 1.930 0.154 0.467 0.714 0.429 CA 1.188 7 residues pruned to eliminate duplicates Z: 6 3.575 1.586 0.257 0.370 1.000 0.400 CB 0.921 6 residues pruned to eliminate duplicates Z: 18 13.936 2.052 0.384 0.376 0.941 0.706 CA 1.443 18 residues pruned to eliminate duplicates Z: 18 18.093 2.053 0.571 0.395 0.941 0.706 CA 1.614 18 residues pruned to eliminate duplicates Z: 18 16.492 2.021 0.516 0.438 1.000 0.765 CA 1.391 18 residues pruned to eliminate duplicates Z: 38 25.434 2.117 0.476 0.511 0.892 0.568 CA 1.485 38 residues pruned to eliminate duplicates Z: 6 4.705 1.934 0.504 0.558 0.600 0.400 CA 1.139 6 residues pruned to eliminate duplicates Z: 22 15.241 2.005 0.547 0.341 0.905 0.476 CB 1.410 22 residues pruned to eliminate duplicates Z: 19 17.225 2.045 0.594 0.408 0.944 0.667 CA 1.453 20 residues pruned to eliminate duplicates Z: 7 4.052 1.386 0.613 0.258 1.000 0.500 N 0.976 7 residues pruned to eliminate duplicates Z: 29 22.253 2.021 0.626 0.384 0.929 0.536 CA 1.559 28 residues pruned to eliminate duplicates Z: 8 7.315 1.632 0.861 0.370 0.857 0.714 CA 1.220 8 residues pruned to eliminate duplicates Z: 19 15.052 2.046 0.587 0.367 0.889 0.556 CA 1.419 19 residues pruned to eliminate duplicates Z: 7 5.683 1.833 0.450 0.501 0.667 0.167 CA 1.308 7 residues pruned to eliminate duplicates Z: 39 21.838 2.071 0.391 0.483 0.895 0.658 CA 1.399 39 residues pruned to eliminate duplicates Z: 40 27.212 2.051 0.558 0.497 0.923 0.564 CA 1.482 40 residues pruned to eliminate duplicates Z: 24 12.932 1.984 0.199 0.459 0.826 0.565 CA 1.431 24 residues pruned to eliminate duplicates Z: 39 22.439 2.088 0.401 0.478 0.868 0.605 CA 1.465 39 residues pruned to eliminate duplicates Z: 27 21.867 2.111 0.610 0.459 0.885 0.692 CA 1.487 27 residues pruned to eliminate duplicates Z: 6 5.234 1.497 0.382 0.462 1.000 1.000 CA 1.175 6 residues pruned to eliminate duplicates Z: 38 28.305 2.112 0.608 0.537 0.919 0.622 CA 1.438 38 residues pruned to eliminate duplicates Z: 14 14.234 2.013 0.592 0.626 0.846 0.615 CB 1.294 13 residues pruned to eliminate duplicates Z: 6 2.947 1.531 0.018 0.477 0.800 0.200 CA 1.082 6 residues pruned to eliminate duplicates Z: 27 17.821 1.973 0.561 0.468 0.846 0.462 CA 1.385 27 residues pruned to eliminate duplicates Z: 23 20.043 2.044 0.615 0.502 0.864 0.545 CA 1.496 24 residues pruned to eliminate duplicates Z: 8 6.414 1.643 0.359 0.552 0.714 0.571 C 1.445 6 residues pruned to eliminate duplicates Z: 7 4.477 1.496 0.527 0.526 0.833 0.333 CA 0.935 7 residues pruned to eliminate duplicates Z: 6 5.872 1.943 0.757 0.409 0.800 0.200 CA 1.058 5 residues pruned to eliminate duplicates Z: 6 4.429 1.856 0.659 0.365 0.800 0.400 CB 0.929 6 residues pruned to eliminate duplicates Z: 6 3.488 1.655 0.899 0.112 0.800 0.800 CB 1.014 6 residues pruned to eliminate duplicates Z: 26 12.732 2.027 0.487 0.409 0.760 0.480 CB 1.224 26 residues pruned to eliminate duplicates Z: 19 12.495 2.062 0.743 0.350 0.778 0.500 CB 1.240 19 residues pruned to eliminate duplicates Z: 19 14.542 2.058 0.601 0.410 0.889 0.556 CB 1.286 30 residues pruned to eliminate duplicates Z: 6 4.998 1.698 0.284 0.547 0.800 0.600 CA 1.224 6 residues pruned to eliminate duplicates Z: 23 8.831 1.847 0.575 0.308 0.727 0.364 CB 1.101 23 residues pruned to eliminate duplicates Z: 28 12.133 1.986 0.438 0.385 0.741 0.481 CB 1.247 28 residues pruned to eliminate duplicates Z: 20 15.110 2.043 0.647 0.429 0.842 0.526 CB 1.317 20 residues pruned to eliminate duplicates Z: 21 13.849 1.954 0.651 0.391 0.850 0.550 CB 1.268 21 residues pruned to eliminate duplicates Z: 28 15.703 2.006 0.696 0.369 0.815 0.481 CB 1.255 28 residues pruned to eliminate duplicates Z: 20 13.124 2.027 0.680 0.363 0.947 0.579 CB 1.082 20 residues pruned to eliminate duplicates Z: 13 8.533 1.936 0.633 0.477 0.750 0.583 CB 1.063 13 residues pruned to eliminate duplicates Z: 26 12.830 1.962 0.549 0.392 0.840 0.480 CB 1.127 22 residues pruned to eliminate duplicates Z: 7 4.702 1.673 0.430 0.300 0.833 0.667 CB 1.203 Z: 10 5.349 1.769 0.109 0.579 0.889 0.444 CB 0.947 10 residues pruned to eliminate duplicates Z: 18 10.378 1.815 0.261 0.486 0.941 0.647 CB 1.185 16 residues pruned to eliminate duplicates Z: 11 7.795 1.566 0.489 0.756 0.900 0.700 CB 0.935 11 residues pruned to eliminate duplicates Z: 14 7.585 1.737 0.325 0.360 0.923 0.538 CB 1.151 15 residues pruned to eliminate duplicates Z: 7 8.847 1.836 0.523 0.691 1.000 0.500 CB 1.084 7 residues pruned to eliminate duplicates Z: 15 11.447 1.827 0.405 0.554 1.000 0.643 CB 1.131 15 residues pruned to eliminate duplicates Z: 8 6.839 1.750 0.227 0.726 1.000 0.571 CA 0.982 8 residues pruned to eliminate duplicates Z: 17 11.409 1.850 0.396 0.539 0.938 0.438 CB 1.134 17 residues pruned to eliminate duplicates Z: 8 6.383 1.656 0.717 0.562 1.000 0.857 CA 0.799 8 residues pruned to eliminate duplicates Z: 17 8.619 1.839 0.329 0.498 0.750 0.438 CB 1.178 17 residues pruned to eliminate duplicates Z: 10 6.908 1.860 0.569 0.366 0.778 0.333 CB 1.172 10 residues pruned to eliminate duplicates Z: 9 7.195 1.934 0.447 0.369 0.750 0.375 CB 1.396 9 residues pruned to eliminate duplicates Z: 9 5.230 1.928 0.390 0.356 0.625 0.250 CB 1.290 9 residues pruned to eliminate duplicates Z: 10 5.504 1.866 0.151 0.296 0.778 0.444 N 1.381 10 residues pruned to eliminate duplicates Z: 14 8.943 1.629 0.524 0.414 0.923 0.385 N 1.184 12 residues pruned to eliminate duplicates Z: 6 2.332 1.911 0.207 0.260 0.400 0.000 CA 1.487 6 residues pruned to eliminate duplicates Z: 24 15.453 2.062 0.283 0.408 0.870 0.435 CA 1.542 24 residues pruned to eliminate duplicates Z: 25 16.490 2.008 0.388 0.367 0.875 0.417 CB 1.592 25 residues pruned to eliminate duplicates Z: 7 7.468 1.601 0.512 0.483 1.000 0.500 C 1.281 7 residues pruned to eliminate duplicates Z: 13 7.832 1.967 0.414 0.306 0.750 0.167 CA 1.346 13 residues pruned to eliminate duplicates Z: 6 9.344 1.942 1.047 0.458 1.000 0.600 N 1.097 6 residues pruned to eliminate duplicates Z: 23 14.197 1.799 0.597 0.392 0.864 0.591 CB 1.368 23 residues pruned to eliminate duplicates Z: 6 3.562 1.772 0.126 0.418 0.800 0.800 CB 1.087 6 residues pruned to eliminate duplicates Z: 27 16.419 1.940 0.619 0.316 0.846 0.538 CA 1.485 26 residues pruned to eliminate duplicates Z: 7 8.132 1.721 0.440 0.514 1.000 0.833 CB 1.321 7 residues pruned to eliminate duplicates Z: 16 14.735 1.885 0.607 0.519 0.933 0.667 N 1.321 16 residues pruned to eliminate duplicates Z: 26 13.347 1.975 0.234 0.324 0.880 0.560 CA 1.511 26 residues pruned to eliminate duplicates Z: 24 18.026 2.038 0.448 0.425 0.870 0.565 CA 1.583 24 residues pruned to eliminate duplicates Z: 22 15.187 2.060 0.479 0.422 0.905 0.476 CB 1.305 22 residues pruned to eliminate duplicates Z: 7 5.416 1.712 0.956 0.233 0.833 0.333 CB 1.080 7 residues pruned to eliminate duplicates Z: 32 19.789 2.040 0.351 0.578 1.000 0.710 CA 1.196 31 residues pruned to eliminate duplicates Z: 7 9.166 1.863 0.642 0.328 1.000 0.667 C 1.478 7 residues pruned to eliminate duplicates Z: 21 16.131 2.145 0.329 0.457 1.000 0.650 CB 1.322 21 residues pruned to eliminate duplicates Z: 20 17.405 2.155 0.374 0.476 1.000 0.737 CB 1.382 20 residues pruned to eliminate duplicates Z: 22 19.203 2.159 0.607 0.434 0.952 0.524 CB 1.358 22 residues pruned to eliminate duplicates Z: 25 18.113 2.066 0.402 0.486 0.958 0.708 CB 1.350 25 residues pruned to eliminate duplicates Z: 25 13.015 1.881 0.374 0.370 0.958 0.500 CB 1.233 25 residues pruned to eliminate duplicates Z: 23 19.434 2.087 0.503 0.439 1.000 0.682 CA 1.408 23 residues pruned to eliminate duplicates Z: 38 27.072 2.056 0.426 0.674 1.000 0.730 CA 1.293 38 residues pruned to eliminate duplicates Z: 22 16.865 2.035 0.689 0.395 0.952 0.524 CB 1.256 22 residues pruned to eliminate duplicates Z: 26 24.124 2.131 0.504 0.574 1.000 0.720 CB 1.403 27 residues pruned to eliminate duplicates Z: 20 16.662 1.960 0.271 0.879 1.000 0.842 CA 1.112 20 residues pruned to eliminate duplicates Z: 22 15.628 2.071 0.577 0.424 0.905 0.619 CB 1.248 22 residues pruned to eliminate duplicates Z: 17 17.963 2.132 0.189 0.855 1.000 0.812 CA 1.307 17 residues pruned to eliminate duplicates Z: 27 23.665 2.022 0.472 0.726 0.962 0.731 CA 1.323 27 residues pruned to eliminate duplicates Z: 35 30.231 2.074 0.586 0.630 1.000 0.676 CB 1.395 35 residues pruned to eliminate duplicates Z: 16 21.264 2.088 0.607 0.917 0.933 0.800 CA 1.237 16 residues pruned to eliminate duplicates Z: 18 22.881 2.037 0.473 0.875 1.000 0.529 CA 1.345 18 residues pruned to eliminate duplicates Z: 21 20.330 2.016 0.530 0.657 1.000 0.700 CA 1.274 21 residues pruned to eliminate duplicates Z: 36 31.868 2.087 0.549 0.722 1.000 0.600 CA 1.363 36 residues pruned to eliminate duplicates Z: 36 28.519 2.047 0.583 0.623 0.971 0.629 CA 1.364 36 residues pruned to eliminate duplicates Z: 34 31.978 2.120 0.578 0.650 0.970 0.697 CB 1.492 34 residues pruned to eliminate duplicates Z: 35 29.052 2.066 0.448 0.654 1.000 0.647 CB 1.442 35 residues pruned to eliminate duplicates Z: 29 27.649 2.006 0.603 0.681 0.964 0.679 CA 1.427 29 residues pruned to eliminate duplicates Z: 19 23.592 2.019 0.798 0.797 0.944 0.611 CA 1.250 19 residues pruned to eliminate duplicates Z: 19 26.393 2.047 0.672 0.849 1.000 0.778 CA 1.348 19 residues pruned to eliminate duplicates Z: 65 38.577 2.084 0.558 0.586 0.906 0.547 CA 1.509 65 residues pruned to eliminate duplicates Z: 65 42.852 2.076 0.692 0.598 0.906 0.562 CA 1.533 65 residues pruned to eliminate duplicates Z: 19 14.728 1.868 0.578 0.687 0.889 0.444 CA 1.116 19 residues pruned to eliminate duplicates Z: 19 13.537 1.910 0.754 0.482 0.889 0.556 CA 1.091 19 residues pruned to eliminate duplicates Z: 23 26.440 2.037 0.737 0.772 0.955 0.455 CA 1.312 23 residues pruned to eliminate duplicates Z: 20 25.071 2.056 1.107 0.638 0.947 0.632 CB 1.231 20 residues pruned to eliminate duplicates Z: 18 22.043 2.098 0.615 0.664 1.000 0.706 CB 1.356 18 residues pruned to eliminate duplicates Z: 58 40.728 2.051 0.687 0.615 0.965 0.632 CA 1.450 58 residues pruned to eliminate duplicates Z: 64 42.738 2.107 0.748 0.564 0.921 0.571 CA 1.492 64 residues pruned to eliminate duplicates Z: 21 27.938 2.069 0.931 0.693 0.950 0.700 CB 1.380 21 residues pruned to eliminate duplicates Z: 82 45.574 2.086 0.659 0.567 0.914 0.593 CB 1.501 82 residues pruned to eliminate duplicates Z: 33 39.078 2.089 0.828 0.755 1.000 0.656 CA 1.441 33 residues pruned to eliminate duplicates Z: 66 41.917 2.088 0.639 0.608 0.923 0.615 CA 1.485 66 residues pruned to eliminate duplicates Z: 29 24.954 2.108 0.650 0.476 0.964 0.464 CB 1.440 29 residues pruned to eliminate duplicates Z: 34 28.809 2.154 0.677 0.515 0.879 0.576 CB 1.557 34 residues pruned to eliminate duplicates Z: 46 30.043 2.096 0.519 0.506 0.889 0.578 CB 1.573 46 residues pruned to eliminate duplicates Z: 47 29.076 2.097 0.593 0.497 0.891 0.522 CB 1.445 47 residues pruned to eliminate duplicates Z: 74 45.067 2.085 0.696 0.547 0.945 0.534 CB 1.508 74 residues pruned to eliminate duplicates Z: 45 31.405 2.146 0.543 0.510 0.909 0.545 CB 1.556 45 residues pruned to eliminate duplicates Z: 37 31.637 2.140 0.591 0.529 0.944 0.500 CB 1.594 37 residues pruned to eliminate duplicates Z: 10 10.084 1.956 0.444 0.546 0.889 0.556 CB 1.280 10 residues pruned to eliminate duplicates Z: 46 30.000 2.118 0.562 0.488 0.911 0.578 CB 1.502 46 residues pruned to eliminate duplicates Z: 47 28.087 2.091 0.442 0.498 0.913 0.565 CA 1.507 47 residues pruned to eliminate duplicates Z: 50 32.125 2.095 0.592 0.478 0.898 0.510 CB 1.567 50 residues pruned to eliminate duplicates Z: 45 23.836 2.056 0.441 0.478 0.864 0.568 CB 1.436 45 residues pruned to eliminate duplicates Z: 47 31.092 2.108 0.525 0.482 0.913 0.565 CB 1.590 47 residues pruned to eliminate duplicates Z: 66 38.891 2.075 0.557 0.593 0.923 0.631 CA 1.479 66 residues pruned to eliminate duplicates Z: 27 19.440 2.052 0.499 0.411 0.846 0.500 CB 1.609 27 residues pruned to eliminate duplicates Z: 25 17.753 2.092 0.459 0.410 0.833 0.542 CA 1.565 26 residues pruned to eliminate duplicates Z: 7 5.698 1.406 0.771 0.524 1.000 0.667 N 0.912 7 residues pruned to eliminate duplicates Z: 62 40.346 2.062 0.638 0.586 0.951 0.689 CB 1.481 62 residues pruned to eliminate duplicates Z: 47 29.587 2.103 0.458 0.508 0.935 0.565 CB 1.509 47 residues pruned to eliminate duplicates Z: 50 28.708 2.061 0.585 0.478 0.898 0.469 CB 1.429 50 residues pruned to eliminate duplicates Z: 31 20.894 2.111 0.381 0.415 0.900 0.533 CA 1.589 31 residues pruned to eliminate duplicates Z: 50 30.270 2.027 0.542 0.504 0.918 0.510 CB 1.500 50 residues pruned to eliminate duplicates Z: 12 18.726 2.147 0.565 0.515 0.909 0.545 CB 1.820 12 residues pruned to eliminate duplicates Z: 24 21.238 2.138 0.602 0.474 0.826 0.522 CB 1.606 24 residues pruned to eliminate duplicates Z: 66 38.532 2.052 0.618 0.596 0.908 0.646 CA 1.446 66 residues pruned to eliminate duplicates Z: 25 18.228 2.097 0.523 0.442 0.792 0.542 CB 1.563 24 residues pruned to eliminate duplicates Z: 10 15.038 1.831 0.692 0.878 1.000 0.667 CA 1.174 10 residues pruned to eliminate duplicates Z: 7 4.058 1.880 0.376 0.238 0.667 0.500 CB 1.302 7 residues pruned to eliminate duplicates Z: 8 5.954 1.966 0.770 0.137 0.714 0.429 CA 1.422 5 residues pruned to eliminate duplicates Z: 12 16.982 1.950 0.816 0.719 0.909 0.636 CA 1.304 12 residues pruned to eliminate duplicates Z: 66 39.029 2.092 0.573 0.608 0.923 0.662 CA 1.438 66 residues pruned to eliminate duplicates Z: 12 8.360 2.035 0.373 0.300 0.727 0.455 CB 1.551 12 residues pruned to eliminate duplicates Z: 15 8.312 1.840 0.402 0.333 0.929 0.500 CB 1.113 15 residues pruned to eliminate duplicates Z: 11 11.563 2.131 0.403 0.315 1.000 0.600 CB 1.500 17 residues pruned to eliminate duplicates Z: 10 7.706 2.157 0.180 0.346 0.778 0.444 CB 1.533 10 residues pruned to eliminate duplicates Z: 10 9.129 2.087 0.509 0.291 0.889 0.667 CB 1.374 14 residues pruned to eliminate duplicates Z: 8 4.781 1.464 0.510 0.502 0.857 0.429 CB 0.952 8 residues pruned to eliminate duplicates Z: 12 7.911 1.979 0.650 0.285 0.818 0.636 CB 1.138 12 residues pruned to eliminate duplicates Z: 10 9.447 2.130 0.377 0.297 0.889 0.778 CB 1.515 10 residues pruned to eliminate duplicates Z: 6 3.314 1.530 0.242 0.306 1.000 0.800 CA 0.968 7 residues pruned to eliminate duplicates Z: 11 7.137 1.953 0.520 0.248 0.800 0.300 CB 1.270 10 residues pruned to eliminate duplicates Z: 12 4.810 1.978 0.168 0.151 0.727 0.091 CB 1.325 12 residues pruned to eliminate duplicates Z: 14 5.617 1.850 0.396 0.158 0.769 0.231 CB 1.193 14 residues pruned to eliminate duplicates Z: 11 7.201 1.988 0.354 0.314 0.800 0.500 CB 1.298 13 residues pruned to eliminate duplicates Z: 22 8.204 1.862 0.294 0.207 0.762 0.476 CB 1.379 19 residues pruned to eliminate duplicates Z: 6 3.198 2.124 -0.063 0.495 1.000 0.400 CB 0.722 6 residues pruned to eliminate duplicates Z: 12 10.601 1.982 0.392 0.366 0.818 0.455 N 1.636 10 residues pruned to eliminate duplicates Z: 6 3.324 1.787 0.407 0.399 0.600 0.400 N 1.096 6 residues pruned to eliminate duplicates Z: 12 10.741 1.821 0.472 0.376 0.909 0.455 N 1.517 12 residues pruned to eliminate duplicates Z: 14 8.760 1.803 0.426 0.309 0.769 0.538 CB 1.519 11 residues pruned to eliminate duplicates Z: 6 2.614 1.365 0.224 0.336 0.800 0.600 N 1.046 6 residues pruned to eliminate duplicates Z: 45 41.440 2.212 0.636 0.646 0.932 0.705 CA 1.617 45 residues pruned to eliminate duplicates Z: 48 29.613 2.149 0.461 0.516 0.894 0.596 CB 1.515 48 residues pruned to eliminate duplicates Z: 52 46.240 2.228 0.624 0.628 0.980 0.588 CA 1.617 114 residues pruned to eliminate duplicates Z: 21 30.269 2.256 0.760 0.779 0.950 0.600 CA 1.403 21 residues pruned to eliminate duplicates Z: 51 35.031 2.165 0.521 0.570 0.900 0.520 CA 1.563 51 residues pruned to eliminate duplicates Z: 31 40.730 2.283 0.676 0.655 1.000 0.633 CA 1.682 31 residues pruned to eliminate duplicates Z: 56 28.568 2.042 0.476 0.496 0.873 0.400 CA 1.470 56 residues pruned to eliminate duplicates Z: 53 43.177 2.166 0.684 0.591 0.942 0.615 CB 1.597 53 residues pruned to eliminate duplicates Z: 70 53.804 2.234 0.748 0.558 0.942 0.551 CA 1.664 71 residues pruned to eliminate duplicates Z: 21 35.004 2.294 0.611 0.906 0.900 0.550 CA 1.673 21 residues pruned to eliminate duplicates Z: 55 38.751 2.162 0.546 0.591 0.926 0.481 CB 1.561 53 residues pruned to eliminate duplicates Z: 20 41.312 2.313 0.825 0.882 0.895 0.474 CA 1.816 20 residues pruned to eliminate duplicates Z: 31 41.234 2.125 0.905 0.677 0.967 0.633 CB 1.635 31 residues pruned to eliminate duplicates Z: 46 44.551 2.197 0.712 0.624 0.933 0.533 CB 1.684 46 residues pruned to eliminate duplicates Z: 34 41.772 2.177 0.843 0.695 0.909 0.545 CB 1.669 34 residues pruned to eliminate duplicates Z: 46 40.227 2.176 0.684 0.635 0.889 0.467 CA 1.623 46 residues pruned to eliminate duplicates Z: 33 42.664 2.229 0.757 0.699 0.938 0.500 CA 1.713 33 residues pruned to eliminate duplicates Z: 46 38.926 2.210 0.588 0.607 0.889 0.467 CB 1.681 46 residues pruned to eliminate duplicates Z: 53 39.378 2.159 0.613 0.580 0.923 0.596 CA 1.572 53 residues pruned to eliminate duplicates Z: 54 46.087 2.183 0.697 0.611 0.943 0.679 CA 1.630 54 residues pruned to eliminate duplicates Z: 22 45.149 2.232 0.816 0.916 1.000 0.571 CB 1.717 22 residues pruned to eliminate duplicates Z: 44 40.576 2.202 0.682 0.638 0.930 0.581 CA 1.578 44 residues pruned to eliminate duplicates Z: 45 48.920 2.235 0.821 0.634 0.977 0.636 CA 1.635 45 residues pruned to eliminate duplicates Z: 53 40.979 2.194 0.595 0.597 0.942 0.577 CA 1.572 53 residues pruned to eliminate duplicates Z: 46 40.294 2.173 0.660 0.626 0.956 0.578 CA 1.547 46 residues pruned to eliminate duplicates Z: 51 44.724 2.210 0.656 0.626 0.960 0.580 CB 1.598 51 residues pruned to eliminate duplicates Z: 44 43.447 2.233 0.579 0.665 0.953 0.512 CB 1.693 44 residues pruned to eliminate duplicates Z: 13 15.212 2.082 0.590 0.684 0.917 0.583 CB 1.222 13 residues pruned to eliminate duplicates Z: 19 17.494 2.029 0.590 0.480 0.889 0.556 CB 1.467 19 residues pruned to eliminate duplicates Z: 17 20.223 2.174 0.473 0.548 1.000 0.500 CB 1.506 17 residues pruned to eliminate duplicates Z: 58 44.142 2.109 0.757 0.570 0.947 0.439 CB 1.556 58 residues pruned to eliminate duplicates Z: 45 39.583 2.187 0.598 0.598 0.977 0.477 CA 1.592 45 residues pruned to eliminate duplicates Z: 44 41.169 2.210 0.703 0.644 0.930 0.465 CB 1.567 44 residues pruned to eliminate duplicates Z: 45 47.103 2.221 0.833 0.638 0.932 0.568 CA 1.645 45 residues pruned to eliminate duplicates Z: 73 47.519 2.212 0.676 0.548 0.903 0.556 CA 1.597 73 residues pruned to eliminate duplicates Z: 73 49.116 2.217 0.681 0.521 0.931 0.514 CA 1.635 73 residues pruned to eliminate duplicates Z: 51 45.777 2.210 0.702 0.619 0.960 0.520 CA 1.601 51 residues pruned to eliminate duplicates Z: 55 41.339 2.182 0.640 0.584 0.926 0.556 CA 1.567 55 residues pruned to eliminate duplicates Z: 43 26.211 1.979 0.641 0.483 0.857 0.452 CB 1.479 43 residues pruned to eliminate duplicates Z: 73 50.575 2.224 0.695 0.554 0.944 0.556 CA 1.588 73 residues pruned to eliminate duplicates Z: 8 8.822 2.046 0.536 0.374 0.857 0.571 CB 1.417 8 residues pruned to eliminate duplicates Z: 55 41.416 2.176 0.585 0.571 0.944 0.444 CB 1.615 55 residues pruned to eliminate duplicates Z: 7 8.158 2.072 0.597 0.511 0.833 0.500 CB 1.195 7 residues pruned to eliminate duplicates Z: 69 48.864 2.252 0.661 0.547 0.912 0.588 CA 1.660 69 residues pruned to eliminate duplicates Z: 76 46.026 2.179 0.728 0.526 0.853 0.507 CA 1.612 76 residues pruned to eliminate duplicates Z: 24 20.108 2.142 0.555 0.392 0.913 0.522 CA 1.546 24 residues pruned to eliminate duplicates Z: 72 46.409 2.222 0.644 0.531 0.887 0.465 CB 1.649 72 residues pruned to eliminate duplicates Z: 71 50.333 2.214 0.846 0.512 0.871 0.471 CB 1.670 71 residues pruned to eliminate duplicates Z: 78 51.700 2.196 0.698 0.534 0.974 0.584 CA 1.568 78 residues pruned to eliminate duplicates Z: 71 50.191 2.237 0.615 0.546 0.971 0.557 CA 1.634 71 residues pruned to eliminate duplicates Z: 23 21.579 2.159 0.720 0.383 0.909 0.545 CA 1.544 23 residues pruned to eliminate duplicates Z: 22 23.521 2.230 0.695 0.367 0.952 0.619 CA 1.645 22 residues pruned to eliminate duplicates Z: 59 37.322 2.169 0.586 0.424 0.948 0.466 CB 1.626 59 residues pruned to eliminate duplicates Z: 28 25.079 2.149 0.686 0.386 0.926 0.630 CB 1.624 28 residues pruned to eliminate duplicates Z: 73 50.767 2.201 0.750 0.543 0.931 0.458 CA 1.600 73 residues pruned to eliminate duplicates Z: 25 19.886 2.131 0.722 0.348 0.875 0.583 CA 1.491 25 residues pruned to eliminate duplicates Z: 73 48.107 2.210 0.680 0.527 0.917 0.486 CA 1.623 73 residues pruned to eliminate duplicates Z: 30 15.879 2.042 0.596 0.303 0.828 0.552 CB 1.361 30 residues pruned to eliminate duplicates Z: 23 20.981 2.183 0.737 0.366 0.909 0.455 CA 1.498 23 residues pruned to eliminate duplicates Z: 21 20.062 2.228 0.748 0.314 0.950 0.550 CA 1.489 21 residues pruned to eliminate duplicates Z: 21 19.326 2.259 0.747 0.323 0.850 0.500 CA 1.566 21 residues pruned to eliminate duplicates Z: 25 18.552 2.102 0.638 0.332 0.917 0.542 CA 1.441 25 residues pruned to eliminate duplicates Z: 22 22.360 2.259 0.748 0.344 0.905 0.714 CB 1.617 22 residues pruned to eliminate duplicates Z: 23 21.801 2.181 0.837 0.398 0.909 0.682 CA 1.421 23 residues pruned to eliminate duplicates Z: 75 51.458 2.174 0.768 0.538 0.946 0.459 CA 1.584 75 residues pruned to eliminate duplicates Z: 18 11.241 1.838 0.493 0.372 0.824 0.412 C 1.382 18 residues pruned to eliminate duplicates Z: 88 55.509 2.168 0.712 0.588 0.931 0.621 CA 1.582 88 residues pruned to eliminate duplicates Z: 36 24.725 2.086 0.662 0.384 0.886 0.600 CA 1.540 36 residues pruned to eliminate duplicates Z: 99 48.727 2.128 0.592 0.545 0.878 0.541 CB 1.584 99 residues pruned to eliminate duplicates Z: 73 41.094 2.154 0.532 0.533 0.889 0.639 CB 1.598 73 residues pruned to eliminate duplicates Z: 85 47.324 2.130 0.563 0.509 0.929 0.536 CB 1.655 85 residues pruned to eliminate duplicates Z: 87 47.691 2.163 0.686 0.494 0.907 0.477 CA 1.564 87 residues pruned to eliminate duplicates Z: 14 10.235 1.933 0.258 0.346 0.923 0.615 CB 1.495 14 residues pruned to eliminate duplicates Z: 27 24.857 2.129 0.234 0.703 0.962 0.692 CA 1.604 27 residues pruned to eliminate duplicates Z: 18 8.650 1.930 0.287 0.250 0.765 0.353 CA 1.472 18 residues pruned to eliminate duplicates Z: 31 18.555 2.098 0.199 0.614 0.800 0.567 CB 1.511 31 residues pruned to eliminate duplicates Z: 56 36.331 2.113 0.531 0.546 0.927 0.618 CA 1.560 56 residues pruned to eliminate duplicates Z: 25 17.784 2.025 0.242 0.631 0.917 0.708 CB 1.392 25 residues pruned to eliminate duplicates Z: 22 19.648 2.168 0.272 0.654 0.857 0.810 CB 1.571 22 residues pruned to eliminate duplicates Z: 60 26.135 2.029 0.388 0.512 0.831 0.610 CB 1.436 60 residues pruned to eliminate duplicates Z: 23 19.170 2.128 0.264 0.648 0.864 0.727 CB 1.533 23 residues pruned to eliminate duplicates Z: 34 24.941 2.107 0.278 0.634 0.909 0.545 CB 1.564 34 residues pruned to eliminate duplicates Z: 25 20.479 2.118 0.349 0.672 0.833 0.625 CB 1.498 25 residues pruned to eliminate duplicates Z: 25 25.369 2.157 0.370 0.736 0.917 0.750 CB 1.546 25 residues pruned to eliminate duplicates Z: 50 36.412 2.162 0.619 0.489 0.939 0.612 CB 1.599 50 residues pruned to eliminate duplicates Z: 26 26.426 2.168 0.269 0.748 0.920 0.800 CB 1.672 26 residues pruned to eliminate duplicates Z: 26 23.202 2.088 0.448 0.647 0.920 0.600 CB 1.455 26 residues pruned to eliminate duplicates Z: 26 25.297 2.127 0.481 0.674 0.880 0.760 CB 1.555 26 residues pruned to eliminate duplicates Z: 27 24.547 2.135 0.416 0.711 0.885 0.692 CB 1.486 27 residues pruned to eliminate duplicates Z: 22 23.619 2.150 0.605 0.727 0.905 0.619 CB 1.346 22 residues pruned to eliminate duplicates Z: 33 19.417 2.027 0.492 0.575 0.844 0.438 CB 1.252 33 residues pruned to eliminate duplicates Z: 57 30.359 2.046 0.463 0.566 0.875 0.500 CB 1.452 57 residues pruned to eliminate duplicates Z: 34 26.636 2.090 0.487 0.640 0.848 0.515 CB 1.542 34 residues pruned to eliminate duplicates Z: 27 23.650 2.094 0.593 0.697 0.885 0.500 CB 1.314 27 residues pruned to eliminate duplicates Z: 18 6.863 1.845 0.264 0.500 0.706 0.176 CB 1.011 18 residues pruned to eliminate duplicates Z: 34 17.512 2.017 0.542 0.567 0.788 0.333 CB 1.166 34 residues pruned to eliminate duplicates Z: 12 6.565 1.805 0.325 0.277 0.818 0.455 CA 1.301 12 residues pruned to eliminate duplicates Z: 27 15.605 2.031 0.458 0.641 0.769 0.269 CB 1.178 27 residues pruned to eliminate duplicates Z: 32 13.104 1.930 0.279 0.357 0.903 0.452 CB 1.232 32 residues pruned to eliminate duplicates Z: 8 3.721 1.871 0.249 0.223 0.571 0.286 CB 1.456 8 residues pruned to eliminate duplicates Z: 8 5.004 1.908 0.143 0.383 0.857 0.143 CB 1.146 8 residues pruned to eliminate duplicates Z: 34 12.535 1.940 0.314 0.387 0.788 0.424 CB 1.224 34 residues pruned to eliminate duplicates Z: 8 2.865 1.912 0.200 0.176 0.571 0.000 CB 1.222 8 residues pruned to eliminate duplicates Z: 13 4.168 1.789 0.013 0.258 0.750 0.250 CB 1.168 13 residues pruned to eliminate duplicates Z: 34 12.079 1.908 0.250 0.343 0.879 0.424 CB 1.190 34 residues pruned to eliminate duplicates Z: 19 10.901 1.996 0.172 0.402 0.944 0.500 CB 1.290 19 residues pruned to eliminate duplicates Z: 23 11.035 1.877 0.245 0.382 0.955 0.545 CB 1.196 23 residues pruned to eliminate duplicates Z: 29 12.005 2.010 0.327 0.333 0.786 0.357 CB 1.299 29 residues pruned to eliminate duplicates Z: 33 15.692 1.961 0.426 0.364 0.844 0.562 CB 1.361 33 residues pruned to eliminate duplicates Z: 27 13.135 1.947 0.245 0.340 0.885 0.615 CB 1.431 27 residues pruned to eliminate duplicates Z: 29 12.500 1.892 0.413 0.380 0.821 0.429 CB 1.223 29 residues pruned to eliminate duplicates Z: 21 11.243 2.016 0.219 0.442 0.900 0.550 CB 1.207 21 residues pruned to eliminate duplicates Z: 17 15.695 1.967 0.368 0.540 1.000 0.625 CB 1.402 17 residues pruned to eliminate duplicates Z: 22 12.448 1.937 0.323 0.394 0.905 0.571 CB 1.311 22 residues pruned to eliminate duplicates Z: 21 13.208 1.951 0.295 0.449 0.950 0.650 CB 1.297 21 residues pruned to eliminate duplicates Z: 28 13.517 1.928 0.276 0.329 0.852 0.556 CA 1.497 28 residues pruned to eliminate duplicates Z: 19 13.354 2.005 0.202 0.492 1.000 0.556 CB 1.317 19 residues pruned to eliminate duplicates Z: 22 11.741 2.010 0.184 0.422 0.857 0.476 CB 1.363 22 residues pruned to eliminate duplicates Z: 13 6.170 2.004 0.180 0.345 0.750 0.417 CB 1.189 13 residues pruned to eliminate duplicates Z: 24 12.542 1.966 0.226 0.401 0.870 0.565 CB 1.385 24 residues pruned to eliminate duplicates Z: 21 13.446 1.985 0.364 0.459 0.900 0.600 CB 1.287 21 residues pruned to eliminate duplicates Z: 10 3.670 1.768 0.161 0.297 0.667 0.333 CA 1.122 10 residues pruned to eliminate duplicates Z: 21 11.988 2.027 0.217 0.469 0.950 0.550 CB 1.181 21 residues pruned to eliminate duplicates Z: 29 13.252 1.913 0.269 0.359 0.893 0.679 CB 1.344 29 residues pruned to eliminate duplicates Z: 17 8.426 1.863 0.543 0.336 0.688 0.438 CB 1.275 17 residues pruned to eliminate duplicates Z: 18 9.263 1.940 0.170 0.343 0.824 0.529 CB 1.426 18 residues pruned to eliminate duplicates Z: 18 10.518 1.950 0.484 0.304 0.824 0.471 CA 1.331 18 residues pruned to eliminate duplicates Z: 31 18.805 2.016 0.469 0.408 0.900 0.633 CB 1.419 31 residues pruned to eliminate duplicates Z: 16 11.991 1.960 0.705 0.323 0.800 0.467 CA 1.407 16 residues pruned to eliminate duplicates Z: 18 10.109 1.947 0.404 0.317 0.706 0.529 CB 1.556 18 residues pruned to eliminate duplicates Z: 25 10.882 1.898 0.481 0.256 0.792 0.375 CB 1.320 25 residues pruned to eliminate duplicates Z: 7 6.641 1.700 0.931 0.384 0.667 0.500 O 1.402 7 residues pruned to eliminate duplicates Z: 6 5.055 1.966 0.270 0.423 1.000 0.600 CA 0.981 6 residues pruned to eliminate duplicates Z: 7 10.735 1.950 0.942 0.534 0.833 0.500 CA 1.343 Z: 11 5.296 1.790 0.346 0.249 0.900 0.600 CB 1.031 11 residues pruned to eliminate duplicates Z: 13 12.184 1.987 0.680 0.299 0.917 0.500 CA 1.439 20 residues pruned to eliminate duplicates Z: 15 11.960 1.918 0.772 0.330 0.857 0.643 CB 1.322 15 residues pruned to eliminate duplicates Z: 15 9.396 1.935 0.453 0.252 0.857 0.571 CA 1.386 15 residues pruned to eliminate duplicates Z: 15 7.538 1.839 0.372 0.285 0.786 0.429 CA 1.294 15 residues pruned to eliminate duplicates Z: 13 11.001 1.965 0.532 0.246 0.917 0.417 CA 1.543 13 residues pruned to eliminate duplicates Z: 20 15.651 2.005 0.544 0.404 0.947 0.526 CA 1.354 20 residues pruned to eliminate duplicates Z: 49 30.837 2.083 0.597 0.513 0.875 0.667 CA 1.509 49 residues pruned to eliminate duplicates Z: 26 14.193 1.941 0.474 0.366 0.920 0.560 CA 1.245 26 residues pruned to eliminate duplicates Z: 11 8.042 2.057 0.507 0.466 0.800 0.700 CA 1.061 11 residues pruned to eliminate duplicates Z: 22 13.060 1.958 0.588 0.354 0.857 0.524 CA 1.253 22 residues pruned to eliminate duplicates Z: 21 16.934 2.108 0.477 0.454 0.900 0.600 CA 1.417 21 residues pruned to eliminate duplicates Z: 10 11.165 1.992 0.620 0.604 0.889 0.778 CA 1.175 10 residues pruned to eliminate duplicates Z: 35 33.019 2.107 0.532 0.608 0.941 0.735 CA 1.683 35 residues pruned to eliminate duplicates Z: 55 37.888 2.063 0.633 0.568 0.963 0.722 CA 1.487 55 residues pruned to eliminate duplicates Z: 48 35.911 2.070 0.538 0.586 0.936 0.723 CA 1.618 48 residues pruned to eliminate duplicates Z: 48 31.416 2.053 0.597 0.522 0.915 0.617 CA 1.495 48 residues pruned to eliminate duplicates Z: 36 30.924 2.054 0.496 0.676 0.914 0.771 CA 1.582 36 residues pruned to eliminate duplicates Z: 50 26.331 1.990 0.460 0.525 0.898 0.633 CA 1.406 50 residues pruned to eliminate duplicates Z: 34 34.621 2.126 0.470 0.709 0.970 0.727 CA 1.645 34 residues pruned to eliminate duplicates Z: 43 39.886 2.081 0.700 0.671 0.976 0.690 CA 1.523 43 residues pruned to eliminate duplicates Z: 12 14.403 2.026 0.447 0.495 0.909 0.636 CA 1.638 12 residues pruned to eliminate duplicates Z: 34 33.190 2.100 0.420 0.722 0.970 0.758 CA 1.635 34 residues pruned to eliminate duplicates Z: 35 32.284 2.088 0.462 0.684 0.912 0.853 CB 1.681 35 residues pruned to eliminate duplicates Z: 41 32.616 2.002 0.589 0.645 0.900 0.800 CA 1.573 40 residues pruned to eliminate duplicates Z: 25 29.778 2.038 0.457 0.793 0.958 0.667 CA 1.652 25 residues pruned to eliminate duplicates Z: 34 30.949 2.099 0.351 0.705 0.970 0.727 CA 1.627 34 residues pruned to eliminate duplicates Z: 32 30.982 2.123 0.541 0.618 0.935 0.645 CA 1.626 32 residues pruned to eliminate duplicates Z: 37 37.421 2.163 0.666 0.612 0.972 0.667 CA 1.601 37 residues pruned to eliminate duplicates Z: 36 33.487 2.062 0.550 0.696 0.943 0.714 CB 1.571 38 residues pruned to eliminate duplicates Z: 19 32.306 2.138 0.586 0.926 1.000 0.833 CA 1.574 19 residues pruned to eliminate duplicates Z: 39 32.861 2.049 0.579 0.638 0.895 0.632 CA 1.617 39 residues pruned to eliminate duplicates Z: 53 34.623 2.044 0.615 0.588 0.904 0.712 CA 1.479 53 residues pruned to eliminate duplicates Z: 31 34.133 2.166 0.672 0.639 0.967 0.667 CA 1.562 31 residues pruned to eliminate duplicates Z: 31 35.437 2.054 0.892 0.641 0.933 0.567 CB 1.563 31 residues pruned to eliminate duplicates Z: 35 37.169 2.090 0.714 0.699 0.882 0.500 CA 1.682 35 residues pruned to eliminate duplicates Z: 36 36.479 2.113 0.638 0.652 0.914 0.543 CB 1.692 35 residues pruned to eliminate duplicates Z: 16 22.507 1.975 0.837 0.808 0.867 0.600 CB 1.413 15 residues pruned to eliminate duplicates Z: 15 28.822 2.117 0.773 0.896 0.929 0.429 CA 1.583 18 residues pruned to eliminate duplicates Z: 22 38.663 2.136 0.803 0.901 0.952 0.476 CB 1.641 20 residues pruned to eliminate duplicates Z: 13 21.568 2.079 0.851 0.853 0.833 0.333 CB 1.435 13 residues pruned to eliminate duplicates Z: 34 39.886 2.085 0.819 0.756 0.879 0.576 CB 1.659 34 residues pruned to eliminate duplicates Z: 36 39.419 2.101 0.667 0.697 0.971 0.486 CB 1.637 36 residues pruned to eliminate duplicates Z: 21 41.143 2.141 0.869 0.907 0.900 0.450 CB 1.816 21 residues pruned to eliminate duplicates Z: 31 33.053 1.993 0.823 0.678 0.933 0.500 CB 1.511 31 residues pruned to eliminate duplicates Z: 40 33.172 2.037 0.700 0.626 0.897 0.436 CB 1.518 40 residues pruned to eliminate duplicates Z: 41 37.072 2.096 0.707 0.670 0.900 0.450 CB 1.557 41 residues pruned to eliminate duplicates 547 residues left after pruning, divided into chains as follows: A: 6 B: 6 C: 10 D: 7 E: 6 F: 9 G: 10 H: 13 I: 27 J: 38 K: 10 L: 41 M: 20 N: 27 O: 81 P: 9 Q: 16 R: 188 S: 14 T: 9 CC for partial structure against native data = 20.46 % ------------------------------------------------------------------------------ Global autotracing cycle 18 = 0.300, Contrast = 0.421, Connect. = 0.681 for dens.mod. cycle 1 = 0.300, Contrast = 0.483, Connect. = 0.703 for dens.mod. cycle 2 = 0.300, Contrast = 0.558, Connect. = 0.738 for dens.mod. cycle 3 = 0.300, Contrast = 0.563, Connect. = 0.743 for dens.mod. cycle 4 = 0.300, Contrast = 0.570, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.573, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.576, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.578, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.579, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.580, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6833 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1196 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 9 18.745 1.940 0.507 0.907 1.000 0.750 O 1.612 B: 24 15.482 2.117 0.543 0.315 0.913 0.435 CA 1.328 C: 22 35.752 2.155 0.684 0.865 1.000 0.667 CA 1.576 D: 30 15.132 1.917 0.414 0.329 0.793 0.310 CA 1.578 E: 18 23.595 2.214 0.350 0.879 0.941 0.529 CB 1.475 F: 22 24.841 2.011 0.467 0.901 1.000 0.667 CB 1.311 18 residues pruned to eliminate duplicates G: 17 24.022 2.177 0.605 0.838 0.875 0.750 CB 1.468 17 residues pruned to eliminate duplicates H: 23 31.104 2.132 0.595 0.877 0.909 0.682 CA 1.557 22 residues pruned to eliminate duplicates I: 22 37.771 2.076 0.674 0.918 1.000 0.619 CB 1.673 J: 11 29.073 2.155 0.856 0.916 1.000 0.800 CA 1.623 K: 19 40.842 2.235 0.957 0.903 1.000 0.500 CA 1.569 21 residues pruned to eliminate duplicates L: 12 23.096 2.069 0.916 0.869 0.909 0.636 CA 1.412 12 residues pruned to eliminate duplicates M: 14 4.210 1.906 0.086 0.333 0.769 0.385 CB 0.880 N: 21 44.520 2.201 1.006 0.874 1.000 0.450 CA 1.641 21 residues pruned to eliminate duplicates O: 21 34.559 2.182 0.601 0.896 1.000 0.800 CA 1.585 21 residues pruned to eliminate duplicates P: 20 22.282 2.059 0.368 0.866 1.000 0.895 CB 1.329 20 residues pruned to eliminate duplicates Q: 19 35.767 2.169 0.540 0.924 1.000 0.778 CA 1.772 19 residues pruned to eliminate duplicates R: 64 41.447 2.128 0.664 0.572 0.905 0.524 CB 1.521 21 residues pruned to eliminate duplicates S: 6 7.479 1.700 0.367 0.779 1.000 0.600 CA 1.125 T: 20 31.488 2.145 0.756 0.737 1.000 0.737 CB 1.550 12 residues pruned to eliminate duplicates U: 6 5.008 1.948 0.120 0.490 0.600 0.400 CB 1.727 V: 21 42.332 2.264 0.948 0.922 1.000 0.700 CA 1.509 21 residues pruned to eliminate duplicates W: 20 27.747 2.080 0.549 0.904 1.000 0.895 CB 1.407 21 residues pruned to eliminate duplicates X: 10 16.929 1.907 0.555 0.865 0.889 0.667 O 1.569 9 residues pruned to eliminate duplicates Y: 7 9.596 1.756 0.448 0.550 1.000 0.667 CB 1.468 6 residues pruned to eliminate duplicates Z: 30 15.246 1.970 0.641 0.370 0.759 0.517 CA 1.326 Z: 11 6.019 1.952 0.054 0.426 0.800 0.500 CB 1.248 12 residues pruned to eliminate duplicates Z: 20 39.459 2.278 0.997 0.933 0.842 0.579 CB 1.648 20 residues pruned to eliminate duplicates Z: 12 31.811 2.154 0.956 0.885 1.000 0.727 CB 1.644 12 residues pruned to eliminate duplicates Z: 10 3.748 1.566 0.244 0.234 0.778 0.333 CB 1.123 Z: 22 35.014 2.079 0.584 0.901 1.000 0.571 CA 1.656 20 residues pruned to eliminate duplicates Z: 49 19.959 1.849 0.592 0.401 0.854 0.500 CA 1.271 49 residues pruned to eliminate duplicates Z: 22 15.180 2.080 0.345 0.447 0.952 0.714 CB 1.312 Z: 23 26.786 2.086 0.415 0.877 0.909 0.591 CA 1.545 23 residues pruned to eliminate duplicates Z: 9 9.741 1.997 0.715 0.578 0.875 0.750 CA 1.066 Z: 18 9.955 1.929 0.218 0.439 0.706 0.412 CA 1.550 Z: 16 30.226 2.216 0.482 0.924 0.933 0.667 CB 1.788 16 residues pruned to eliminate duplicates Z: 12 17.924 2.112 0.402 0.768 1.000 0.727 CB 1.440 12 residues pruned to eliminate duplicates Z: 22 40.166 2.166 0.968 0.876 0.905 0.476 CB 1.652 22 residues pruned to eliminate duplicates Z: 12 5.407 1.901 0.009 0.303 0.818 0.636 CB 1.295 Z: 13 11.496 2.158 0.110 0.409 0.917 0.417 CA 1.662 13 residues pruned to eliminate duplicates Z: 27 14.761 2.029 0.404 0.379 0.846 0.500 CA 1.366 Z: 20 36.765 2.135 0.735 0.931 1.000 0.842 CA 1.592 21 residues pruned to eliminate duplicates Z: 22 34.706 2.096 0.486 0.915 1.000 0.810 CB 1.718 22 residues pruned to eliminate duplicates Z: 18 40.828 2.233 1.064 0.868 0.941 0.588 CA 1.669 18 residues pruned to eliminate duplicates Z: 18 20.228 2.132 0.345 0.867 0.941 0.765 CB 1.330 18 residues pruned to eliminate duplicates Z: 19 21.225 2.132 0.253 0.863 1.000 0.778 CB 1.374 18 residues pruned to eliminate duplicates Z: 21 29.442 2.162 0.271 0.909 1.000 0.850 CB 1.699 21 residues pruned to eliminate duplicates Z: 17 34.426 2.108 0.905 0.897 1.000 0.750 CB 1.534 17 residues pruned to eliminate duplicates Z: 23 38.640 2.111 0.643 0.913 1.000 0.773 CA 1.680 23 residues pruned to eliminate duplicates Z: 16 9.668 2.031 0.420 0.410 0.800 0.467 CB 1.189 16 residues pruned to eliminate duplicates Z: 15 26.887 2.042 0.845 0.835 0.857 0.500 CA 1.666 16 residues pruned to eliminate duplicates Z: 22 36.187 2.161 0.537 0.916 0.952 0.905 CB 1.764 22 residues pruned to eliminate duplicates Z: 21 17.257 1.942 0.350 0.572 1.000 0.500 CA 1.373 21 residues pruned to eliminate duplicates Z: 6 5.371 1.646 0.361 0.593 0.800 0.600 CA 1.226 6 residues pruned to eliminate duplicates Z: 8 3.475 1.703 0.323 0.428 0.571 0.571 CB 1.100 Z: 17 14.724 2.063 0.150 0.907 1.000 0.875 CA 1.103 4 residues pruned to eliminate duplicates Z: 18 10.259 1.946 0.128 0.360 0.882 0.471 CB 1.494 18 residues pruned to eliminate duplicates Z: 21 40.742 2.286 0.855 0.924 0.900 0.600 CA 1.677 21 residues pruned to eliminate duplicates Z: 11 21.519 2.081 0.908 0.803 0.800 0.700 CA 1.644 11 residues pruned to eliminate duplicates Z: 22 36.818 2.149 0.500 0.913 1.000 0.857 CB 1.764 22 residues pruned to eliminate duplicates Z: 10 8.133 1.888 0.525 0.608 0.889 0.667 CB 0.956 Z: 38 16.092 2.017 0.490 0.312 0.892 0.514 CB 1.215 46 residues pruned to eliminate duplicates Z: 37 24.869 2.124 0.516 0.500 0.889 0.639 CA 1.447 30 residues pruned to eliminate duplicates Z: 29 14.307 1.976 0.393 0.377 0.857 0.464 CA 1.307 29 residues pruned to eliminate duplicates Z: 16 8.863 2.034 0.252 0.335 0.733 0.533 CA 1.467 16 residues pruned to eliminate duplicates Z: 18 37.523 2.274 0.808 0.924 1.000 0.706 CA 1.555 18 residues pruned to eliminate duplicates Z: 7 6.888 1.928 0.148 0.461 0.833 0.333 CA 1.587 7 residues pruned to eliminate duplicates Z: 37 29.916 2.060 0.681 0.528 1.000 0.667 CA 1.400 37 residues pruned to eliminate duplicates Z: 22 48.649 2.251 1.041 0.909 1.000 0.619 CA 1.640 22 residues pruned to eliminate duplicates Z: 18 21.786 2.157 0.316 0.861 1.000 0.882 CB 1.368 18 residues pruned to eliminate duplicates Z: 21 10.799 1.930 0.348 0.239 0.850 0.450 CA 1.478 Z: 10 12.123 1.836 0.729 0.807 0.889 0.889 CA 1.095 Z: 13 14.707 1.930 0.582 0.836 0.917 0.583 CA 1.135 13 residues pruned to eliminate duplicates Z: 19 9.221 1.947 0.454 0.318 0.722 0.556 CB 1.300 Z: 9 19.389 1.966 1.086 0.864 1.000 1.000 CA 1.225 10 residues pruned to eliminate duplicates Z: 10 7.505 1.862 0.215 0.496 1.000 0.667 CB 1.110 Z: 56 41.142 2.088 0.567 0.645 0.982 0.636 CA 1.508 47 residues pruned to eliminate duplicates Z: 25 20.245 2.094 0.569 0.437 0.833 0.417 CA 1.611 28 residues pruned to eliminate duplicates Z: 19 42.337 2.345 0.852 0.924 0.944 0.722 CB 1.709 19 residues pruned to eliminate duplicates Z: 18 17.819 2.174 0.297 0.822 0.882 0.706 CB 1.314 18 residues pruned to eliminate duplicates Z: 11 38.251 2.219 1.228 0.905 1.000 0.600 CA 1.742 11 residues pruned to eliminate duplicates Z: 24 26.110 2.000 0.316 0.837 0.957 0.652 CA 1.617 23 residues pruned to eliminate duplicates Z: 40 24.374 1.996 0.526 0.498 0.923 0.564 CA 1.391 40 residues pruned to eliminate duplicates Z: 23 16.063 2.047 0.822 0.318 0.864 0.636 CA 1.299 23 residues pruned to eliminate duplicates Z: 29 17.512 2.143 0.515 0.284 0.857 0.429 CA 1.517 23 residues pruned to eliminate duplicates Z: 9 4.890 1.747 0.218 0.453 0.750 0.625 CB 1.137 7 residues pruned to eliminate duplicates Z: 16 26.182 2.044 0.582 0.901 1.000 0.733 CB 1.491 16 residues pruned to eliminate duplicates Z: 11 14.792 1.766 0.616 0.842 1.000 0.800 CA 1.221 11 residues pruned to eliminate duplicates Z: 16 12.031 2.019 0.523 0.456 0.867 0.600 CB 1.219 16 residues pruned to eliminate duplicates Z: 21 33.083 2.124 0.553 0.910 0.950 0.550 CA 1.674 21 residues pruned to eliminate duplicates Z: 11 9.081 1.847 0.199 0.542 0.900 0.600 CA 1.383 10 residues pruned to eliminate duplicates Z: 18 8.861 1.989 0.567 0.171 0.824 0.353 CB 1.249 18 residues pruned to eliminate duplicates Z: 8 8.674 1.915 0.396 0.705 1.000 0.714 N 1.018 Z: 20 49.829 2.346 0.963 0.914 1.000 0.526 CA 1.756 20 residues pruned to eliminate duplicates Z: 8 4.844 1.628 0.688 0.583 0.714 0.571 N 0.861 Z: 21 23.743 2.073 0.639 0.883 0.950 0.600 CB 1.189 21 residues pruned to eliminate duplicates Z: 25 18.113 2.065 0.554 0.419 0.833 0.458 CB 1.504 25 residues pruned to eliminate duplicates Z: 13 16.481 2.025 0.604 0.796 0.917 0.750 CB 1.233 13 residues pruned to eliminate duplicates Z: 13 12.346 2.110 0.226 0.455 0.833 0.583 CB 1.732 13 residues pruned to eliminate duplicates Z: 23 8.608 1.773 0.344 0.298 0.682 0.409 CA 1.415 23 residues pruned to eliminate duplicates Z: 100 59.467 2.201 0.610 0.578 0.949 0.576 CB 1.648 132 residues pruned to eliminate duplicates Z: 6 7.532 1.635 0.536 0.626 1.000 0.800 CB 1.191 Z: 44 34.719 2.004 0.545 0.683 0.953 0.651 CA 1.517 32 residues pruned to eliminate duplicates Z: 17 23.270 1.952 0.966 0.891 1.000 0.875 CA 1.090 17 residues pruned to eliminate duplicates Z: 12 20.290 1.967 0.973 0.785 0.818 0.455 CA 1.499 12 residues pruned to eliminate duplicates Z: 11 4.439 1.538 0.604 0.334 0.700 0.400 CA 0.975 11 residues pruned to eliminate duplicates Z: 10 17.411 1.839 0.692 0.855 1.000 0.778 CA 1.377 10 residues pruned to eliminate duplicates Z: 16 12.704 2.122 0.315 0.417 0.800 0.467 CA 1.602 16 residues pruned to eliminate duplicates Z: 11 20.281 1.872 0.662 0.926 1.000 0.700 CB 1.446 10 residues pruned to eliminate duplicates Z: 10 10.451 1.829 0.262 0.834 0.889 0.667 CB 1.273 10 residues pruned to eliminate duplicates Z: 19 23.675 2.154 0.521 0.848 0.944 0.722 CB 1.338 19 residues pruned to eliminate duplicates Z: 25 18.886 2.100 0.531 0.462 0.792 0.583 CA 1.574 25 residues pruned to eliminate duplicates Z: 31 18.109 1.885 0.546 0.427 0.967 0.433 CA 1.266 31 residues pruned to eliminate duplicates Z: 6 4.524 1.844 0.343 0.539 0.600 0.400 CB 1.310 Z: 7 8.960 2.250 0.349 0.815 0.833 0.833 CB 1.099 7 residues pruned to eliminate duplicates Z: 15 19.196 2.130 0.380 0.911 0.929 0.786 CA 1.332 15 residues pruned to eliminate duplicates Z: 10 13.372 1.985 0.579 0.805 0.889 0.556 CA 1.225 10 residues pruned to eliminate duplicates Z: 28 16.331 1.995 0.626 0.425 0.889 0.556 CB 1.178 7 residues pruned to eliminate duplicates Z: 28 14.723 1.945 0.610 0.291 0.815 0.556 CB 1.404 38 residues pruned to eliminate duplicates Z: 25 19.557 2.087 0.561 0.440 0.917 0.708 CA 1.422 25 residues pruned to eliminate duplicates Z: 72 45.210 2.192 0.646 0.529 0.930 0.563 CA 1.554 72 residues pruned to eliminate duplicates Z: 19 23.707 1.963 0.791 0.878 1.000 0.556 CA 1.153 19 residues pruned to eliminate duplicates Z: 10 10.448 2.023 0.246 0.581 0.889 0.667 N 1.438 10 residues pruned to eliminate duplicates Z: 15 11.084 1.955 0.576 0.384 0.786 0.571 CA 1.384 15 residues pruned to eliminate duplicates Z: 18 17.669 1.988 0.485 0.874 1.000 0.529 CA 1.056 18 residues pruned to eliminate duplicates Z: 7 2.327 1.586 -0.145 0.646 0.833 0.500 CB 0.734 7 residues pruned to eliminate duplicates Z: 6 5.391 1.780 1.062 0.343 0.600 0.400 CA 1.298 Z: 18 21.088 1.971 0.641 0.795 0.941 0.588 CA 1.298 18 residues pruned to eliminate duplicates Z: 10 8.719 2.049 0.151 0.462 0.889 0.556 CB 1.441 10 residues pruned to eliminate duplicates Z: 23 31.632 2.086 0.559 0.856 0.955 0.773 CB 1.602 25 residues pruned to eliminate duplicates Z: 41 39.874 2.212 0.678 0.631 0.950 0.550 CA 1.582 41 residues pruned to eliminate duplicates Z: 27 14.816 1.983 0.366 0.340 0.846 0.462 CB 1.509 27 residues pruned to eliminate duplicates Z: 41 38.653 2.147 0.569 0.656 0.975 0.675 CA 1.610 41 residues pruned to eliminate duplicates Z: 17 26.361 2.203 0.773 0.860 0.812 0.250 CA 1.526 17 residues pruned to eliminate duplicates Z: 30 14.785 1.769 0.416 0.446 0.931 0.552 CB 1.244 30 residues pruned to eliminate duplicates Z: 65 43.695 2.145 0.673 0.570 0.891 0.438 CB 1.597 65 residues pruned to eliminate duplicates Z: 27 18.028 2.048 0.520 0.443 0.846 0.538 CA 1.423 27 residues pruned to eliminate duplicates Z: 64 43.686 2.177 0.587 0.587 0.921 0.651 CB 1.592 64 residues pruned to eliminate duplicates Z: 23 12.359 1.991 0.543 0.348 0.864 0.409 CB 1.171 6 residues pruned to eliminate duplicates Z: 11 9.049 2.062 0.512 0.406 0.800 0.600 CB 1.266 Z: 20 16.443 2.081 0.424 0.476 0.947 0.684 CB 1.377 19 residues pruned to eliminate duplicates Z: 13 13.929 1.827 0.393 0.788 0.917 0.583 CB 1.338 13 residues pruned to eliminate duplicates Z: 29 12.598 2.000 0.305 0.389 0.786 0.536 CB 1.307 13 residues pruned to eliminate duplicates Z: 17 8.509 1.915 0.649 0.243 0.688 0.500 CA 1.320 17 residues pruned to eliminate duplicates Z: 37 24.805 2.108 0.452 0.513 0.944 0.667 CA 1.411 37 residues pruned to eliminate duplicates Z: 19 35.678 2.181 0.677 0.907 0.944 0.611 CA 1.730 19 residues pruned to eliminate duplicates Z: 8 4.358 1.626 0.434 0.365 0.714 0.286 CB 1.143 Z: 29 23.640 2.184 0.708 0.342 0.857 0.500 CA 1.659 29 residues pruned to eliminate duplicates Z: 10 10.535 1.928 0.436 0.532 0.889 0.556 CB 1.383 10 residues pruned to eliminate duplicates Z: 21 23.029 2.071 0.465 0.917 1.000 0.900 CB 1.198 21 residues pruned to eliminate duplicates Z: 12 11.493 2.132 0.273 0.778 0.818 0.545 CB 1.222 12 residues pruned to eliminate duplicates Z: 15 27.461 2.121 0.898 0.841 0.929 0.500 CA 1.464 15 residues pruned to eliminate duplicates Z: 20 14.543 2.047 0.710 0.402 0.842 0.526 CA 1.255 9 residues pruned to eliminate duplicates Z: 8 6.113 1.843 0.342 0.620 0.857 0.429 CB 0.973 6 residues pruned to eliminate duplicates Z: 10 14.300 2.023 0.492 0.767 1.000 0.556 CB 1.246 10 residues pruned to eliminate duplicates Z: 22 34.677 2.060 0.931 0.906 1.000 0.857 CA 1.353 22 residues pruned to eliminate duplicates Z: 33 19.635 2.104 0.511 0.407 0.750 0.531 CA 1.605 33 residues pruned to eliminate duplicates Z: 17 13.172 1.995 0.478 0.579 0.812 0.562 CB 1.274 17 residues pruned to eliminate duplicates Z: 13 12.240 1.931 0.366 0.397 1.000 0.333 CA 1.493 Z: 49 29.587 2.059 0.645 0.470 0.854 0.521 CB 1.522 49 residues pruned to eliminate duplicates Z: 22 37.374 2.214 0.794 0.889 0.952 0.810 CA 1.552 22 residues pruned to eliminate duplicates Z: 15 10.933 1.744 0.356 0.407 0.929 0.571 CA 1.468 15 residues pruned to eliminate duplicates Z: 84 55.041 2.213 0.635 0.589 0.928 0.566 CB 1.653 84 residues pruned to eliminate duplicates Z: 18 10.059 1.788 0.396 0.421 0.882 0.471 CA 1.203 20 residues pruned to eliminate duplicates Z: 13 21.881 2.119 0.561 0.847 0.833 0.667 CA 1.701 13 residues pruned to eliminate duplicates Z: 6 6.021 1.591 0.330 0.695 1.000 0.600 CB 1.065 Z: 14 6.547 1.854 0.074 0.377 0.923 0.538 CB 1.126 15 residues pruned to eliminate duplicates Z: 15 6.395 1.805 0.439 0.248 0.643 0.500 CB 1.369 13 residues pruned to eliminate duplicates Z: 19 17.023 2.011 0.744 0.529 0.778 0.556 CB 1.429 19 residues pruned to eliminate duplicates Z: 103 60.707 2.200 0.675 0.578 0.931 0.588 CB 1.625 104 residues pruned to eliminate duplicates Z: 39 29.250 2.058 0.498 0.609 1.000 0.632 CA 1.388 39 residues pruned to eliminate duplicates Z: 26 10.450 1.924 0.210 0.399 0.800 0.600 CB 1.248 26 residues pruned to eliminate duplicates Z: 16 13.939 2.025 0.406 0.514 0.867 0.533 CB 1.438 16 residues pruned to eliminate duplicates Z: 32 41.133 2.196 0.893 0.698 0.935 0.645 CA 1.585 32 residues pruned to eliminate duplicates Z: 6 4.986 2.133 -0.107 0.763 0.800 0.400 CB 1.158 6 residues pruned to eliminate duplicates Z: 20 51.127 2.308 1.026 0.929 1.000 0.368 CA 1.755 20 residues pruned to eliminate duplicates Z: 8 6.834 1.904 0.166 0.475 0.714 0.571 CA 1.670 8 residues pruned to eliminate duplicates Z: 20 21.388 2.007 0.569 0.900 0.947 0.579 CA 1.175 20 residues pruned to eliminate duplicates Z: 6 2.873 1.747 0.692 0.313 0.600 0.400 CB 0.892 Z: 27 16.545 2.048 0.479 0.415 0.846 0.654 CA 1.384 27 residues pruned to eliminate duplicates Z: 26 16.070 2.049 0.559 0.426 0.880 0.440 CB 1.235 26 residues pruned to eliminate duplicates Z: 10 13.913 1.843 0.903 0.795 0.778 0.667 CA 1.313 10 residues pruned to eliminate duplicates Z: 34 39.683 2.219 0.789 0.611 0.939 0.455 CA 1.667 34 residues pruned to eliminate duplicates Z: 7 6.011 1.800 0.157 0.561 0.833 0.667 CA 1.332 Z: 13 16.726 2.005 0.674 0.827 0.917 0.500 CB 1.183 13 residues pruned to eliminate duplicates Z: 7 5.097 1.507 0.805 0.749 0.833 0.833 CB 0.735 Z: 24 16.332 2.030 0.487 0.371 0.783 0.609 N 1.654 24 residues pruned to eliminate duplicates Z: 36 35.510 2.221 0.640 0.643 0.886 0.429 CB 1.627 36 residues pruned to eliminate duplicates Z: 13 8.948 1.743 0.290 0.429 0.917 0.417 CA 1.349 12 residues pruned to eliminate duplicates Z: 45 32.798 2.066 0.635 0.544 0.932 0.500 CB 1.505 45 residues pruned to eliminate duplicates Z: 11 13.634 1.763 0.815 0.820 0.900 0.800 CA 1.134 11 residues pruned to eliminate duplicates Z: 25 20.516 2.075 0.578 0.465 0.833 0.667 CA 1.591 25 residues pruned to eliminate duplicates Z: 21 10.359 1.958 0.370 0.428 0.850 0.550 CB 1.095 21 residues pruned to eliminate duplicates Z: 6 7.604 1.892 0.257 0.541 1.000 0.400 CB 1.373 6 residues pruned to eliminate duplicates Z: 11 9.370 1.991 0.720 0.522 0.800 0.700 CB 1.058 11 residues pruned to eliminate duplicates Z: 14 6.944 1.937 0.097 0.382 0.769 0.538 CB 1.335 14 residues pruned to eliminate duplicates Z: 34 18.781 2.020 0.413 0.454 0.848 0.515 CB 1.415 34 residues pruned to eliminate duplicates Z: 14 12.336 1.838 0.334 0.489 0.923 0.462 CA 1.529 12 residues pruned to eliminate duplicates Z: 80 49.692 2.199 0.648 0.545 0.911 0.494 CB 1.620 80 residues pruned to eliminate duplicates Z: 14 16.291 1.792 0.566 0.798 1.000 0.615 CA 1.241 14 residues pruned to eliminate duplicates Z: 39 23.209 2.059 0.415 0.471 0.947 0.553 CA 1.406 39 residues pruned to eliminate duplicates Z: 40 12.770 1.869 0.495 0.273 0.744 0.410 CB 1.272 26 residues pruned to eliminate duplicates Z: 12 10.323 1.805 0.313 0.577 1.000 0.545 CB 1.220 12 residues pruned to eliminate duplicates Z: 22 41.000 2.158 0.671 0.900 1.000 0.810 CB 1.771 23 residues pruned to eliminate duplicates Z: 21 27.333 2.041 0.890 0.831 0.800 0.500 CB 1.488 21 residues pruned to eliminate duplicates Z: 19 17.897 1.926 0.423 0.896 1.000 0.722 CA 1.103 19 residues pruned to eliminate duplicates Z: 7 2.065 1.637 0.184 0.398 0.833 0.833 CB 0.581 Z: 17 10.274 1.958 0.668 0.293 0.938 0.562 CA 1.058 17 residues pruned to eliminate duplicates Z: 20 17.701 1.882 0.645 0.911 0.947 0.684 CA 0.981 20 residues pruned to eliminate duplicates Z: 7 5.988 1.967 -0.169 0.747 0.833 0.667 CB 1.439 6 residues pruned to eliminate duplicates Z: 6 3.656 1.472 0.397 0.759 1.000 0.800 CA 0.632 6 residues pruned to eliminate duplicates Z: 13 27.115 2.102 0.767 0.865 1.000 0.667 CB 1.544 13 residues pruned to eliminate duplicates Z: 16 11.974 1.910 0.326 0.476 0.933 0.533 CA 1.341 16 residues pruned to eliminate duplicates Z: 10 3.875 1.495 0.297 0.261 0.778 0.444 CB 1.126 10 residues pruned to eliminate duplicates Z: 10 3.386 1.719 0.256 0.311 0.889 0.444 CB 0.725 10 residues pruned to eliminate duplicates Z: 11 8.881 2.025 0.359 0.860 1.000 0.800 CB 0.750 11 residues pruned to eliminate duplicates Z: 17 9.167 1.900 0.361 0.399 0.812 0.562 CB 1.213 17 residues pruned to eliminate duplicates Z: 10 21.402 2.162 0.693 0.876 1.000 0.778 CA 1.417 10 residues pruned to eliminate duplicates Z: 7 2.286 1.198 0.220 0.812 0.667 0.500 N 0.730 Z: 12 18.811 1.953 1.005 0.653 0.909 0.364 CB 1.382 12 residues pruned to eliminate duplicates Z: 50 34.268 2.089 0.437 0.643 0.980 0.694 CA 1.457 50 residues pruned to eliminate duplicates Z: 46 28.069 2.109 0.607 0.452 0.911 0.556 CB 1.424 46 residues pruned to eliminate duplicates Z: 7 4.814 1.507 0.352 0.678 0.833 0.500 N 0.983 Z: 12 11.407 2.025 0.474 0.444 0.818 0.364 CB 1.492 12 residues pruned to eliminate duplicates Z: 17 16.400 2.099 0.538 0.849 0.812 0.375 CB 1.159 17 residues pruned to eliminate duplicates Z: 22 31.331 2.069 0.972 0.882 0.952 0.476 CA 1.273 22 residues pruned to eliminate duplicates 6 1.932 1.329 0.125 0.382 0.800 0.600 CB 0.819 ? Z: 14 12.903 1.861 0.269 0.789 1.000 0.923 CB 1.176 14 residues pruned to eliminate duplicates Z: 9 9.276 1.784 0.475 0.583 1.000 0.625 CA 1.151 9 residues pruned to eliminate duplicates Z: 18 11.604 1.869 0.384 0.398 0.882 0.529 CB 1.373 18 residues pruned to eliminate duplicates Z: 13 15.649 2.053 0.544 0.585 0.833 0.750 CB 1.576 13 residues pruned to eliminate duplicates Z: 7 12.173 1.901 0.841 0.871 0.833 0.667 CB 1.243 7 residues pruned to eliminate duplicates Z: 24 11.407 1.839 0.417 0.290 0.783 0.435 CB 1.476 23 residues pruned to eliminate duplicates Z: 34 17.236 1.979 0.485 0.345 0.788 0.485 CA 1.532 34 residues pruned to eliminate duplicates Z: 15 7.832 1.682 0.111 0.460 1.000 0.500 CB 1.167 15 residues pruned to eliminate duplicates Z: 7 7.896 1.806 0.473 0.496 0.833 0.500 C 1.459 Z: 21 18.347 1.910 0.500 0.859 0.950 0.700 CA 1.109 21 residues pruned to eliminate duplicates Z: 26 13.815 2.003 0.336 0.444 0.920 0.600 CA 1.189 26 residues pruned to eliminate duplicates Z: 25 17.777 2.036 0.451 0.477 0.792 0.500 CA 1.589 25 residues pruned to eliminate duplicates Z: 8 4.913 1.784 0.286 0.223 1.000 0.429 N 1.120 Z: 26 15.475 1.924 0.503 0.496 0.800 0.560 CA 1.344 26 residues pruned to eliminate duplicates Z: 13 14.664 1.809 0.669 0.498 1.000 0.750 CB 1.404 13 residues pruned to eliminate duplicates Z: 8 4.164 1.524 -0.197 0.567 1.000 0.714 O 1.205 Z: 20 18.964 2.103 0.600 0.519 0.789 0.579 CB 1.607 20 residues pruned to eliminate duplicates Z: 29 24.998 2.062 0.257 0.697 0.964 0.643 CB 1.579 29 residues pruned to eliminate duplicates Z: 19 15.838 2.017 0.590 0.874 0.833 0.611 CB 1.016 19 residues pruned to eliminate duplicates Z: 7 2.155 1.539 0.149 0.408 0.833 0.500 CB 0.657 Z: 20 16.380 2.074 0.731 0.428 0.895 0.579 CA 1.260 26 residues pruned to eliminate duplicates Z: 31 12.485 1.877 0.504 0.343 0.800 0.367 CA 1.198 31 residues pruned to eliminate duplicates Z: 21 22.831 2.057 0.320 0.876 1.000 0.650 CB 1.366 21 residues pruned to eliminate duplicates Z: 15 16.366 1.914 0.550 0.887 0.929 0.643 CA 1.145 15 residues pruned to eliminate duplicates Z: 13 7.331 1.712 0.404 0.575 0.917 0.583 CB 0.894 8 residues pruned to eliminate duplicates Z: 10 7.546 1.619 0.774 0.421 0.778 0.444 N 1.223 Z: 13 6.334 1.915 0.303 0.342 0.833 0.500 CB 1.044 12 residues pruned to eliminate duplicates Z: 7 6.235 1.757 0.349 0.578 0.833 0.667 CB 1.195 7 residues pruned to eliminate duplicates Z: 19 9.163 1.795 0.465 0.301 0.778 0.389 CB 1.317 20 residues pruned to eliminate duplicates Z: 9 8.784 1.872 0.440 0.436 0.875 0.375 CB 1.407 Z: 17 37.025 2.272 0.957 0.853 0.938 0.625 CA 1.641 17 residues pruned to eliminate duplicates Z: 39 21.669 2.039 0.375 0.482 0.895 0.711 CA 1.427 39 residues pruned to eliminate duplicates Z: 12 7.359 1.566 0.338 0.423 0.909 0.545 CB 1.263 Z: 6 4.263 1.884 -0.042 0.615 1.000 0.600 N 0.948 6 residues pruned to eliminate duplicates Z: 6 6.283 1.839 0.413 0.835 1.000 0.800 CA 0.810 6 residues pruned to eliminate duplicates Z: 8 8.470 1.913 0.092 0.608 1.000 0.714 CA 1.384 Z: 23 12.291 2.011 0.401 0.389 0.864 0.409 CB 1.212 23 residues pruned to eliminate duplicates Z: 66 40.028 2.085 0.594 0.585 0.938 0.615 CA 1.467 66 residues pruned to eliminate duplicates Z: 41 17.930 1.990 0.121 0.612 0.925 0.675 CA 1.235 41 residues pruned to eliminate duplicates Z: 61 33.216 2.081 0.453 0.513 0.900 0.533 CB 1.556 61 residues pruned to eliminate duplicates Z: 15 11.975 2.069 0.431 0.452 0.786 0.571 CB 1.445 15 residues pruned to eliminate duplicates Z: 19 25.897 2.036 0.298 0.898 0.944 0.889 CA 1.750 19 residues pruned to eliminate duplicates Z: 20 23.430 2.104 0.605 0.863 1.000 0.737 CB 1.169 20 residues pruned to eliminate duplicates Z: 16 10.630 2.036 0.444 0.378 0.933 0.667 CB 1.138 16 residues pruned to eliminate duplicates Z: 39 23.840 2.030 0.574 0.462 0.895 0.658 CA 1.405 39 residues pruned to eliminate duplicates Z: 8 5.497 1.653 0.356 0.537 0.857 0.714 CB 1.043 Z: 38 26.784 2.012 0.575 0.501 0.973 0.595 CA 1.426 38 residues pruned to eliminate duplicates Z: 7 8.773 1.722 0.446 0.780 1.000 0.500 CB 1.124 8 residues pruned to eliminate duplicates Z: 6 2.050 1.489 0.314 0.361 0.800 0.600 O 0.681 Z: 31 20.730 2.017 0.722 0.435 0.867 0.633 CA 1.345 31 residues pruned to eliminate duplicates Z: 6 3.556 1.669 -0.113 0.532 1.000 0.400 C 1.041 Z: 9 8.811 1.805 0.451 0.584 1.000 0.750 CB 1.097 Z: 14 8.042 1.891 0.596 0.251 0.846 0.462 CB 1.163 14 residues pruned to eliminate duplicates Z: 30 16.398 1.993 0.548 0.391 0.828 0.517 CB 1.338 30 residues pruned to eliminate duplicates Z: 6 5.784 1.932 0.208 0.547 0.800 0.400 CB 1.323 8 residues pruned to eliminate duplicates Z: 7 2.936 1.485 0.156 0.616 0.833 0.667 CB 0.751 Z: 15 5.339 1.592 0.202 0.411 0.857 0.571 CB 0.955 15 residues pruned to eliminate duplicates Z: 6 8.528 1.800 0.165 0.805 1.000 0.600 N 1.393 7 residues pruned to eliminate duplicates Z: 7 2.337 1.319 0.276 0.334 0.667 0.500 O 1.020 Z: 34 23.893 2.042 0.276 0.676 1.000 0.788 CA 1.358 34 residues pruned to eliminate duplicates Z: 10 5.951 2.057 0.374 0.234 0.778 0.667 CB 1.230 10 residues pruned to eliminate duplicates Z: 36 21.898 2.019 0.532 0.487 0.971 0.629 CA 1.248 36 residues pruned to eliminate duplicates Z: 6 3.960 1.736 -0.174 0.602 1.000 0.600 CB 1.121 Z: 22 14.100 1.878 0.507 0.421 0.905 0.571 CB 1.304 30 residues pruned to eliminate duplicates Z: 11 6.784 1.679 0.613 0.559 0.700 0.600 CB 1.069 Z: 18 14.627 2.036 0.469 0.350 0.941 0.588 CA 1.483 18 residues pruned to eliminate duplicates Z: 10 12.144 1.938 0.729 0.575 1.000 0.889 CA 1.124 10 residues pruned to eliminate duplicates Z: 19 20.830 2.003 0.726 0.562 0.833 0.611 CA 1.605 19 residues pruned to eliminate duplicates Z: 12 17.268 2.201 0.607 0.414 0.909 0.455 CA 1.773 12 residues pruned to eliminate duplicates Z: 6 5.430 1.482 0.592 0.808 0.800 0.600 CB 0.984 Z: 7 8.852 1.952 0.208 0.651 1.000 0.500 CA 1.331 7 residues pruned to eliminate duplicates Z: 7 7.879 1.770 0.360 0.503 1.000 0.333 CB 1.332 6 residues pruned to eliminate duplicates Z: 10 4.670 1.692 0.351 0.309 0.667 0.333 CB 1.263 11 residues pruned to eliminate duplicates Z: 7 7.312 1.827 0.614 0.654 0.833 0.667 CA 1.052 7 residues pruned to eliminate duplicates Z: 7 6.536 1.914 0.508 0.668 1.000 0.667 CB 0.791 Z: 29 12.476 1.925 0.300 0.419 0.857 0.536 CB 1.196 27 residues pruned to eliminate duplicates Z: 6 3.184 1.630 -0.095 0.577 1.000 0.800 CB 0.895 Z: 27 35.017 2.065 0.563 0.718 1.000 0.731 CA 1.747 27 residues pruned to eliminate duplicates Z: 40 31.899 2.102 0.555 0.585 0.923 0.462 CA 1.560 40 residues pruned to eliminate duplicates Z: 27 15.026 2.011 0.344 0.365 0.846 0.500 CB 1.489 27 residues pruned to eliminate duplicates Z: 22 12.507 1.923 0.662 0.348 0.762 0.524 CB 1.322 22 residues pruned to eliminate duplicates Z: 7 3.829 1.663 -0.126 0.388 1.000 0.667 CA 1.210 7 residues pruned to eliminate duplicates Z: 17 8.642 1.755 0.310 0.386 0.750 0.500 CB 1.414 17 residues pruned to eliminate duplicates Z: 7 3.638 1.350 0.697 0.379 0.833 0.667 CA 0.884 7 residues pruned to eliminate duplicates Z: 6 4.084 1.513 0.157 0.546 1.000 0.400 N 0.997 Z: 37 29.904 2.056 0.579 0.542 0.944 0.611 CA 1.560 37 residues pruned to eliminate duplicates Z: 8 9.391 2.085 0.578 0.620 0.857 0.714 CB 1.124 8 residues pruned to eliminate duplicates Z: 16 15.282 1.964 0.526 0.419 1.000 0.800 CA 1.434 14 residues pruned to eliminate duplicates Z: 53 33.445 2.090 0.574 0.546 0.904 0.673 CB 1.491 53 residues pruned to eliminate duplicates Z: 6 2.013 1.542 0.059 0.411 1.000 0.600 CB 0.605 6 residues pruned to eliminate duplicates Z: 16 3.713 1.426 0.239 0.351 0.867 0.267 CB 0.736 Z: 19 13.572 1.981 0.485 0.475 0.833 0.500 CA 1.339 19 residues pruned to eliminate duplicates Z: 73 48.463 2.203 0.678 0.533 0.917 0.528 CB 1.631 73 residues pruned to eliminate duplicates Z: 22 23.967 2.089 0.302 0.701 0.952 0.905 CB 1.681 22 residues pruned to eliminate duplicates Z: 30 12.952 1.899 0.434 0.349 0.897 0.414 CB 1.160 30 residues pruned to eliminate duplicates Z: 13 26.983 2.120 0.830 0.874 0.917 0.333 CB 1.594 13 residues pruned to eliminate duplicates Z: 8 7.158 1.720 0.374 0.625 0.857 0.571 CA 1.187 8 residues pruned to eliminate duplicates Z: 7 2.662 1.263 0.256 0.606 1.000 0.500 N 0.619 Z: 16 10.860 2.056 0.359 0.451 0.867 0.533 CB 1.218 22 residues pruned to eliminate duplicates 6 1.402 1.278 0.130 0.395 0.600 0.400 N 0.809 ? Z: 35 28.812 1.943 0.371 0.703 0.971 0.794 CA 1.588 35 residues pruned to eliminate duplicates Z: 10 12.109 1.939 0.562 0.580 0.889 0.667 CA 1.389 10 residues pruned to eliminate duplicates Z: 8 7.337 1.582 0.277 0.484 1.000 0.286 CA 1.394 7 residues pruned to eliminate duplicates Z: 43 23.316 2.040 0.495 0.333 0.857 0.524 CA 1.653 43 residues pruned to eliminate duplicates Z: 6 4.084 1.715 0.038 0.506 1.000 0.600 CA 1.019 6 residues pruned to eliminate duplicates Z: 15 12.805 2.066 0.520 0.478 0.929 0.571 CB 1.200 15 residues pruned to eliminate duplicates Z: 14 5.954 1.355 0.546 0.364 1.000 0.538 CB 0.912 14 residues pruned to eliminate duplicates Z: 9 7.799 1.487 0.441 0.896 1.000 1.000 CB 0.921 Z: 7 3.671 1.294 0.350 0.499 1.000 0.500 CB 0.859 Z: 10 9.375 1.974 0.605 0.660 0.778 0.444 CB 1.093 10 residues pruned to eliminate duplicates Z: 10 8.941 1.630 0.846 0.445 0.778 0.667 CB 1.348 10 residues pruned to eliminate duplicates Z: 19 9.101 1.901 0.092 0.428 0.889 0.611 CB 1.254 19 residues pruned to eliminate duplicates Z: 13 5.981 1.806 0.224 0.342 0.833 0.417 CB 1.113 13 residues pruned to eliminate duplicates Z: 6 5.345 1.598 0.787 0.586 0.800 0.800 N 0.963 6 residues pruned to eliminate duplicates Z: 6 3.864 1.607 0.056 0.584 0.800 0.600 C 1.175 6 residues pruned to eliminate duplicates Z: 7 6.760 1.848 -0.055 0.701 1.000 0.833 CB 1.317 Z: 11 8.571 1.762 0.087 0.576 1.000 0.600 CB 1.316 10 residues pruned to eliminate duplicates Z: 84 36.659 2.075 0.522 0.463 0.880 0.494 CB 1.503 85 residues pruned to eliminate duplicates Z: 26 30.546 2.205 0.705 0.602 0.920 0.560 CA 1.604 25 residues pruned to eliminate duplicates Z: 25 16.800 2.005 0.531 0.420 0.833 0.583 CA 1.457 25 residues pruned to eliminate duplicates Z: 10 8.608 1.856 0.302 0.475 0.889 0.444 CB 1.371 9 residues pruned to eliminate duplicates Z: 9 3.835 1.873 0.011 0.315 0.875 0.250 CB 1.003 Z: 7 3.251 1.762 -0.083 0.505 1.000 0.500 N 0.817 7 residues pruned to eliminate duplicates Z: 9 9.935 1.512 1.005 0.566 0.875 0.500 CB 1.242 Z: 6 3.106 1.539 0.012 0.551 0.800 0.600 CA 1.061 Z: 11 4.174 1.722 0.180 0.184 0.700 0.600 N 1.357 11 residues pruned to eliminate duplicates Z: 11 6.765 1.789 0.296 0.375 0.900 0.500 CB 1.172 Z: 8 4.692 1.610 0.174 0.379 0.857 0.714 N 1.245 8 residues pruned to eliminate duplicates Z: 7 7.759 1.984 0.570 0.685 1.000 0.500 CA 0.858 7 residues pruned to eliminate duplicates Z: 12 8.487 1.933 0.420 0.380 0.818 0.455 CA 1.295 12 residues pruned to eliminate duplicates Z: 8 3.573 1.715 0.480 0.273 0.714 0.286 CA 0.964 8 residues pruned to eliminate duplicates Z: 32 34.174 2.076 0.517 0.767 0.968 0.806 CA 1.589 31 residues pruned to eliminate duplicates Z: 11 5.938 1.687 0.460 0.315 0.800 0.600 CB 1.170 11 residues pruned to eliminate duplicates Z: 14 6.313 1.723 0.411 0.271 0.769 0.538 CB 1.214 14 residues pruned to eliminate duplicates Z: 7 3.246 1.238 0.404 0.530 0.833 0.500 O 0.888 Z: 9 4.335 1.594 0.635 0.223 0.750 0.375 CB 1.084 Z: 7 4.552 1.906 0.036 0.315 0.833 0.500 CB 1.385 7 residues pruned to eliminate duplicates Z: 6 3.145 1.730 -0.010 0.444 0.800 0.600 N 1.087 Z: 12 7.627 2.034 0.323 0.354 0.727 0.455 CB 1.377 12 residues pruned to eliminate duplicates Z: 8 2.314 1.459 0.083 0.298 0.857 0.714 CB 0.809 Z: 18 8.060 1.678 0.555 0.358 0.647 0.471 CB 1.349 18 residues pruned to eliminate duplicates Z: 11 15.405 2.211 0.517 0.871 1.000 0.600 CB 1.059 11 residues pruned to eliminate duplicates Z: 7 4.652 1.734 0.072 0.431 0.833 0.500 CB 1.318 7 residues pruned to eliminate duplicates Z: 6 2.644 1.077 0.928 0.514 1.000 0.400 C 0.561 Z: 52 47.694 2.210 0.718 0.642 0.980 0.686 CB 1.571 52 residues pruned to eliminate duplicates Z: 13 11.617 1.784 1.135 0.530 0.750 0.250 CB 1.140 13 residues pruned to eliminate duplicates Z: 11 2.898 1.593 -0.036 0.372 0.600 0.400 CB 1.141 11 residues pruned to eliminate duplicates Z: 14 16.138 2.188 0.579 0.516 0.923 0.538 CB 1.382 14 residues pruned to eliminate duplicates Z: 6 2.241 1.558 0.861 0.100 0.800 0.600 C 0.720 Z: 8 3.941 1.609 0.123 0.355 0.857 0.571 CB 1.125 8 residues pruned to eliminate duplicates Z: 6 2.610 1.451 0.677 0.325 0.800 0.600 C 0.727 Z: 7 5.234 1.786 0.377 0.393 1.000 0.833 CB 0.974 7 residues pruned to eliminate duplicates Z: 7 8.763 1.828 0.945 0.456 0.833 0.667 CA 1.263 7 residues pruned to eliminate duplicates Z: 6 3.324 1.214 0.944 0.526 0.800 0.400 N 0.768 Z: 6 2.206 1.417 0.306 0.400 0.600 0.400 CA 0.988 Z: 6 6.769 1.945 0.410 0.398 1.000 1.000 CB 1.230 Z: 13 10.565 1.847 0.360 0.802 0.750 0.417 N 1.243 13 residues pruned to eliminate duplicates Z: 22 16.601 2.144 0.497 0.353 0.905 0.571 CA 1.462 22 residues pruned to eliminate duplicates Z: 7 2.994 1.637 0.323 0.401 0.833 0.500 CB 0.752 Z: 6 4.828 1.289 0.537 0.744 1.000 0.800 CA 0.876 6 residues pruned to eliminate duplicates Z: 6 2.875 1.503 0.651 0.363 0.600 0.200 CA 1.001 Z: 7 4.423 1.751 0.180 0.308 0.833 0.500 N 1.298 7 residues pruned to eliminate duplicates Z: 19 34.753 2.275 0.589 0.884 0.944 0.611 CA 1.733 19 residues pruned to eliminate duplicates Z: 7 5.166 1.414 0.178 0.777 1.000 0.333 CA 0.991 7 residues pruned to eliminate duplicates Z: 22 28.365 2.087 0.297 0.898 1.000 0.762 CA 1.636 23 residues pruned to eliminate duplicates Z: 27 13.654 1.946 0.321 0.433 0.885 0.615 CA 1.261 27 residues pruned to eliminate duplicates Z: 7 3.182 1.774 0.316 0.499 0.833 0.500 CB 0.669 5 residues pruned to eliminate duplicates Z: 28 27.429 2.095 0.584 0.738 0.852 0.593 CB 1.508 28 residues pruned to eliminate duplicates Z: 25 16.214 2.029 0.519 0.388 0.875 0.500 CA 1.382 25 residues pruned to eliminate duplicates Z: 15 29.455 1.941 0.922 0.854 1.000 0.429 CA 1.558 15 residues pruned to eliminate duplicates Z: 7 2.787 1.408 0.321 0.247 0.833 0.333 O 0.982 Z: 15 9.260 2.000 0.482 0.390 0.857 0.500 CB 1.095 15 residues pruned to eliminate duplicates Z: 9 2.092 1.282 0.462 0.523 0.625 0.375 N 0.617 Z: 27 20.330 2.021 0.505 0.451 0.846 0.538 CB 1.629 27 residues pruned to eliminate duplicates Z: 16 8.184 1.598 0.389 0.442 0.867 0.667 CA 1.167 16 residues pruned to eliminate duplicates Z: 7 3.296 1.397 0.416 0.494 0.833 0.500 CA 0.822 Z: 7 7.112 1.985 0.182 0.684 1.000 0.667 CB 1.046 7 residues pruned to eliminate duplicates Z: 54 46.303 2.134 0.704 0.636 0.943 0.528 CA 1.632 54 residues pruned to eliminate duplicates 7 1.652 1.623 -0.019 0.083 0.667 0.333 CB 1.090 ? Z: 7 2.869 1.595 0.251 0.240 0.667 0.500 CA 1.191 Z: 9 5.033 1.676 0.289 0.396 0.875 0.500 CB 1.051 Z: 22 14.419 1.819 0.351 0.442 1.000 0.714 CA 1.359 22 residues pruned to eliminate duplicates Z: 25 29.591 2.073 0.552 0.658 1.000 0.667 CA 1.622 25 residues pruned to eliminate duplicates Z: 8 6.152 1.741 0.662 0.480 0.714 0.571 CB 1.148 4 residues pruned to eliminate duplicates Z: 12 15.608 1.951 0.569 0.762 0.909 0.818 CB 1.340 12 residues pruned to eliminate duplicates Z: 39 29.093 2.072 0.602 0.508 0.895 0.553 CA 1.576 39 residues pruned to eliminate duplicates Z: 33 28.197 2.075 0.639 0.516 0.906 0.625 CA 1.592 33 residues pruned to eliminate duplicates Z: 6 4.570 1.551 0.004 0.624 1.000 0.600 CA 1.167 Z: 14 9.031 2.007 0.009 0.339 1.000 0.615 CA 1.475 14 residues pruned to eliminate duplicates Z: 8 2.522 1.300 0.384 0.311 0.714 0.429 CB 0.915 Z: 6 2.650 1.381 0.612 0.305 0.800 0.400 CA 0.827 Z: 7 3.762 1.435 0.140 0.403 0.833 0.500 CB 1.247 7 1.648 1.241 0.520 0.439 0.667 0.333 CB 0.570 ? Z: 6 2.019 1.092 0.705 0.418 0.800 0.400 N 0.660 Z: 10 6.684 2.026 0.266 0.361 0.667 0.444 CB 1.514 10 residues pruned to eliminate duplicates Z: 13 6.011 1.754 0.328 0.284 0.833 0.417 CB 1.140 13 residues pruned to eliminate duplicates Z: 11 11.190 1.793 0.129 0.655 1.000 0.700 CA 1.514 12 residues pruned to eliminate duplicates Z: 6 2.527 1.479 0.441 0.611 0.600 0.600 CA 0.795 Z: 7 2.575 1.253 0.153 0.348 1.000 0.333 CA 0.859 Z: 8 9.130 1.995 0.364 0.469 1.000 0.714 CA 1.309 8 residues pruned to eliminate duplicates Z: 8 7.704 1.615 0.357 0.494 1.000 0.571 CB 1.337 8 residues pruned to eliminate duplicates Z: 13 8.487 1.873 0.405 0.312 0.833 0.167 CB 1.375 13 residues pruned to eliminate duplicates Z: 6 3.004 1.696 -0.290 0.676 0.800 0.800 C 1.186 6 residues pruned to eliminate duplicates Z: 11 6.857 2.042 0.246 0.428 0.900 0.500 CB 1.020 11 residues pruned to eliminate duplicates Z: 7 4.008 1.472 0.765 0.156 0.833 0.667 CB 1.151 Z: 30 16.648 1.947 0.308 0.470 0.897 0.586 CA 1.395 30 residues pruned to eliminate duplicates Z: 6 2.413 1.221 0.667 0.490 0.600 0.600 O 0.893 Z: 7 3.556 2.004 0.115 0.474 0.500 0.333 CB 1.334 Z: 9 9.049 2.068 0.809 0.492 0.875 0.750 CB 0.985 9 residues pruned to eliminate duplicates Z: 6 5.876 1.831 0.341 0.676 0.800 0.800 CB 1.137 6 residues pruned to eliminate duplicates Z: 11 4.685 1.600 0.104 0.365 0.900 0.500 N 1.077 Z: 6 4.620 1.576 0.576 0.260 1.000 0.800 C 1.094 Z: 12 8.453 1.730 0.329 0.452 0.818 0.455 CA 1.423 12 residues pruned to eliminate duplicates Z: 8 2.294 1.344 -0.223 0.365 1.000 0.429 CB 0.960 Z: 18 15.318 1.895 0.297 0.769 1.000 0.765 CA 1.191 18 residues pruned to eliminate duplicates Z: 33 24.846 2.013 0.584 0.510 0.938 0.719 CA 1.456 32 residues pruned to eliminate duplicates Z: 25 29.912 1.940 0.565 0.780 1.000 0.708 CA 1.572 23 residues pruned to eliminate duplicates Z: 26 12.655 1.890 0.346 0.357 0.800 0.600 CA 1.451 23 residues pruned to eliminate duplicates Z: 10 11.587 2.032 0.516 0.592 1.000 0.667 CB 1.147 10 residues pruned to eliminate duplicates Z: 8 4.997 1.866 0.211 0.363 0.714 0.429 CA 1.356 5 residues pruned to eliminate duplicates Z: 7 2.270 1.464 0.061 0.522 0.667 0.333 CB 0.875 Z: 6 2.162 1.709 0.524 0.725 1.000 1.000 N 0.303 Z: 7 8.238 1.823 0.830 0.710 1.000 0.833 CB 0.833 Z: 19 20.483 2.141 0.475 0.706 0.833 0.389 CB 1.520 19 residues pruned to eliminate duplicates 7 0.512 1.163 0.415 0.117 0.667 0.167 CA 0.309 ? Z: 20 36.175 2.178 0.849 0.921 0.947 0.474 CB 1.530 20 residues pruned to eliminate duplicates Z: 26 17.129 2.119 0.691 0.311 0.800 0.440 CB 1.473 26 residues pruned to eliminate duplicates Z: 9 4.403 1.458 0.706 0.304 0.750 0.250 N 1.037 Z: 12 8.192 1.835 0.580 0.516 0.909 0.727 CB 0.922 12 residues pruned to eliminate duplicates Z: 23 25.840 2.036 0.787 0.619 0.909 0.591 CA 1.488 23 residues pruned to eliminate duplicates Z: 23 18.644 2.031 0.569 0.457 0.955 0.545 CB 1.365 23 residues pruned to eliminate duplicates Z: 6 2.005 1.153 0.353 0.463 0.800 0.800 CA 0.746 7 1.858 1.516 -0.013 0.331 0.667 0.333 N 0.915 ? 6 1.711 1.537 0.283 0.259 0.800 0.400 CB 0.639 ? Z: 12 2.531 1.329 0.369 0.272 0.636 0.364 N 0.854 Z: 6 2.761 1.557 -0.088 0.581 0.800 0.600 CA 1.005 Z: 6 3.027 1.558 0.211 0.298 0.800 0.800 CB 1.125 Z: 17 15.548 1.928 0.711 0.481 0.938 0.500 CB 1.282 17 residues pruned to eliminate duplicates Z: 22 16.578 1.694 0.582 0.525 0.905 0.476 CA 1.456 22 residues pruned to eliminate duplicates Z: 27 14.890 1.960 0.362 0.412 0.885 0.500 CA 1.355 27 residues pruned to eliminate duplicates Z: 13 7.855 1.904 0.392 0.282 0.750 0.500 CB 1.459 13 residues pruned to eliminate duplicates Z: 11 14.250 2.186 0.504 0.784 0.600 0.200 CB 1.779 11 residues pruned to eliminate duplicates 11 1.718 1.493 0.477 0.132 0.500 0.300 CB 0.781 ? Z: 7 6.571 1.597 0.757 0.501 0.833 0.500 CA 1.146 7 residues pruned to eliminate duplicates Z: 24 17.901 1.866 0.292 0.735 0.870 0.652 CA 1.442 24 residues pruned to eliminate duplicates Z: 6 2.279 1.246 0.763 0.496 0.800 0.800 CA 0.583 Using tripeptides from previous cycle as seeds Z: 8 5.630 1.489 0.114 0.585 1.000 0.286 CB 1.182 Z: 6 3.865 1.662 0.415 0.423 1.000 0.200 CB 0.797 6 residues pruned to eliminate duplicates Z: 9 2.529 1.559 0.067 0.189 0.750 0.500 C 1.040 Z: 7 5.158 1.575 0.640 0.350 0.833 0.500 C 1.151 Z: 6 8.774 1.709 0.226 0.747 1.000 0.400 O 1.503 8 residues pruned to eliminate duplicates Z: 6 8.028 1.721 0.352 0.769 1.000 0.200 CA 1.215 6 residues pruned to eliminate duplicates Z: 8 6.022 1.709 0.053 0.622 1.000 0.571 CB 1.128 8 residues pruned to eliminate duplicates Z: 6 4.489 1.701 -0.150 0.442 1.000 0.400 CA 1.473 5 residues pruned to eliminate duplicates Z: 8 5.336 1.741 0.016 0.493 0.857 0.571 CB 1.339 Z: 7 5.169 1.795 0.036 0.497 0.833 0.167 N 1.366 8 residues pruned to eliminate duplicates Z: 8 11.247 1.999 0.490 0.630 0.857 0.429 N 1.474 8 residues pruned to eliminate duplicates Z: 9 9.532 1.858 0.208 0.643 0.875 0.500 N 1.502 9 residues pruned to eliminate duplicates Z: 8 7.762 1.768 0.098 0.681 1.000 0.429 CB 1.280 6 residues pruned to eliminate duplicates Z: 7 7.054 1.940 0.019 0.636 0.833 0.500 N 1.539 7 residues pruned to eliminate duplicates Z: 10 7.920 1.849 0.134 0.522 0.889 0.222 N 1.386 12 residues pruned to eliminate duplicates Z: 8 7.291 1.800 0.383 0.488 0.857 0.429 CA 1.307 7 residues pruned to eliminate duplicates Z: 9 6.798 1.889 0.076 0.550 0.875 0.500 CA 1.287 9 residues pruned to eliminate duplicates Z: 8 9.085 1.714 0.400 0.605 1.000 0.714 CA 1.294 8 residues pruned to eliminate duplicates Z: 7 6.942 1.796 0.199 0.695 1.000 0.833 CB 1.101 7 residues pruned to eliminate duplicates Z: 7 9.977 2.026 0.298 0.549 1.000 0.667 CB 1.476 8 residues pruned to eliminate duplicates Z: 7 4.742 1.776 0.019 0.699 0.833 0.500 CB 1.071 7 residues pruned to eliminate duplicates Z: 10 13.347 2.002 0.429 0.587 1.000 0.556 CB 1.431 9 residues pruned to eliminate duplicates Z: 6 5.139 2.033 0.212 0.366 0.800 0.400 CB 1.346 6 residues pruned to eliminate duplicates Z: 10 8.766 1.876 0.236 0.510 0.889 0.667 CA 1.404 10 residues pruned to eliminate duplicates Z: 11 7.942 1.879 0.059 0.534 1.000 0.800 CB 1.220 11 residues pruned to eliminate duplicates Z: 12 8.321 1.776 0.198 0.451 0.909 0.455 CB 1.364 12 residues pruned to eliminate duplicates Z: 15 8.438 1.724 0.078 0.487 0.929 0.500 CA 1.325 15 residues pruned to eliminate duplicates Z: 14 8.474 1.730 0.191 0.475 0.846 0.538 CB 1.383 14 residues pruned to eliminate duplicates Z: 14 8.897 1.718 0.139 0.519 1.000 0.615 CA 1.238 14 residues pruned to eliminate duplicates Z: 15 8.043 1.629 0.232 0.457 0.929 0.571 CB 1.205 15 residues pruned to eliminate duplicates Z: 8 4.835 1.696 0.044 0.526 0.857 0.286 N 1.173 8 residues pruned to eliminate duplicates Z: 14 10.108 1.807 0.363 0.393 0.923 0.385 CA 1.381 14 residues pruned to eliminate duplicates Z: 12 6.919 1.726 0.183 0.438 0.818 0.273 CB 1.332 12 residues pruned to eliminate duplicates Z: 15 9.783 1.743 0.203 0.385 1.000 0.429 CA 1.409 15 residues pruned to eliminate duplicates Z: 8 7.130 1.809 0.045 0.518 1.000 0.714 CB 1.401 8 residues pruned to eliminate duplicates Z: 28 15.889 2.015 0.403 0.426 0.852 0.481 CA 1.370 28 residues pruned to eliminate duplicates Z: 30 16.823 2.009 0.447 0.458 0.897 0.483 CB 1.251 30 residues pruned to eliminate duplicates Z: 29 16.065 1.978 0.444 0.407 0.929 0.536 CA 1.262 29 residues pruned to eliminate duplicates Z: 27 16.145 2.058 0.472 0.407 0.808 0.385 CB 1.427 27 residues pruned to eliminate duplicates Z: 27 16.441 2.043 0.413 0.459 0.885 0.500 CA 1.317 27 residues pruned to eliminate duplicates Z: 29 16.306 1.994 0.349 0.454 0.893 0.429 CA 1.345 29 residues pruned to eliminate duplicates Z: 26 18.280 2.048 0.547 0.448 0.880 0.560 CA 1.384 26 residues pruned to eliminate duplicates Z: 24 16.523 2.055 0.426 0.472 0.870 0.739 CB 1.391 23 residues pruned to eliminate duplicates Z: 6 4.807 1.514 0.534 0.453 1.000 0.600 CA 0.972 6 residues pruned to eliminate duplicates Z: 20 9.881 1.968 0.412 0.391 0.737 0.474 CA 1.243 20 residues pruned to eliminate duplicates Z: 26 16.206 2.100 0.423 0.396 0.840 0.520 CB 1.442 23 residues pruned to eliminate duplicates Z: 7 10.745 1.793 1.182 0.430 1.000 0.833 CA 1.206 7 residues pruned to eliminate duplicates Z: 39 24.928 2.050 0.614 0.482 0.895 0.711 CA 1.392 39 residues pruned to eliminate duplicates Z: 44 24.761 2.050 0.401 0.449 0.907 0.535 CA 1.528 47 residues pruned to eliminate duplicates Z: 6 4.515 2.008 0.590 0.479 0.800 0.400 CA 0.808 6 residues pruned to eliminate duplicates Z: 23 13.780 1.994 0.409 0.342 0.864 0.500 CB 1.438 23 residues pruned to eliminate duplicates Z: 41 18.858 2.002 0.590 0.338 0.775 0.475 CB 1.442 40 residues pruned to eliminate duplicates Z: 6 2.898 1.534 0.264 0.360 1.000 0.600 CA 0.777 6 residues pruned to eliminate duplicates Z: 29 17.931 1.978 0.678 0.367 0.929 0.536 CA 1.268 26 residues pruned to eliminate duplicates Z: 6 2.854 1.498 0.801 0.537 0.600 0.000 CA 0.761 6 residues pruned to eliminate duplicates Z: 39 24.980 2.076 0.520 0.466 0.895 0.579 CA 1.486 39 residues pruned to eliminate duplicates Z: 39 27.920 2.061 0.534 0.486 0.974 0.553 CA 1.491 42 residues pruned to eliminate duplicates Z: 6 3.972 1.807 0.477 0.402 1.000 0.600 CA 0.738 6 residues pruned to eliminate duplicates Z: 26 21.828 2.110 0.524 0.472 0.960 0.680 CA 1.456 26 residues pruned to eliminate duplicates Z: 30 20.229 2.028 0.560 0.414 0.931 0.586 CA 1.396 30 residues pruned to eliminate duplicates Z: 39 24.585 2.039 0.466 0.525 0.921 0.684 CA 1.414 39 residues pruned to eliminate duplicates Z: 39 24.683 2.065 0.475 0.510 0.921 0.711 CA 1.413 39 residues pruned to eliminate duplicates Z: 6 2.835 1.597 0.673 0.284 0.800 0.400 CA 0.756 6 residues pruned to eliminate duplicates Z: 40 25.901 2.063 0.647 0.494 0.872 0.615 CA 1.408 40 residues pruned to eliminate duplicates Z: 39 28.616 2.072 0.706 0.517 0.921 0.553 CA 1.402 39 residues pruned to eliminate duplicates Z: 38 25.180 2.058 0.538 0.498 0.919 0.622 CA 1.426 38 residues pruned to eliminate duplicates Z: 38 24.353 2.033 0.550 0.487 0.919 0.649 CA 1.400 38 residues pruned to eliminate duplicates Z: 40 25.426 2.044 0.530 0.508 0.923 0.641 CA 1.400 40 residues pruned to eliminate duplicates Z: 14 15.717 2.027 0.648 0.617 0.923 0.615 CB 1.266 14 residues pruned to eliminate duplicates Z: 39 26.297 2.070 0.596 0.516 0.947 0.658 CA 1.342 39 residues pruned to eliminate duplicates Z: 38 25.884 2.056 0.584 0.489 0.919 0.676 CA 1.438 38 residues pruned to eliminate duplicates Z: 39 27.807 2.081 0.575 0.504 0.947 0.632 CA 1.447 39 residues pruned to eliminate duplicates Z: 11 5.513 1.680 0.472 0.441 0.700 0.200 CB 1.070 Z: 9 6.661 1.603 0.552 0.632 0.750 0.500 CB 1.116 11 residues pruned to eliminate duplicates Z: 7 7.276 1.495 0.981 0.582 1.000 0.500 CA 0.927 8 residues pruned to eliminate duplicates Z: 6 4.017 1.805 0.456 0.355 1.000 0.200 CA 0.800 5 residues pruned to eliminate duplicates Z: 6 6.678 1.866 0.688 0.425 1.000 0.400 CA 1.025 4 residues pruned to eliminate duplicates Z: 7 6.704 1.955 0.221 0.626 1.000 0.500 CB 1.018 7 residues pruned to eliminate duplicates Z: 16 5.628 1.813 0.404 0.183 0.667 0.400 CB 1.254 16 residues pruned to eliminate duplicates Z: 22 11.440 1.925 0.603 0.343 0.762 0.429 CB 1.260 22 residues pruned to eliminate duplicates Z: 16 10.133 2.028 0.549 0.391 0.733 0.400 CB 1.275 16 residues pruned to eliminate duplicates Z: 9 7.843 2.088 0.379 0.343 0.750 0.375 CB 1.524 9 residues pruned to eliminate duplicates Z: 29 13.056 2.016 0.541 0.315 0.750 0.500 CB 1.300 29 residues pruned to eliminate duplicates Z: 28 14.285 2.087 0.471 0.330 0.741 0.519 CB 1.456 30 residues pruned to eliminate duplicates Z: 6 4.458 1.631 0.512 0.455 1.000 0.600 CA 0.847 6 residues pruned to eliminate duplicates Z: 24 13.768 1.967 0.563 0.407 0.870 0.478 CB 1.184 21 residues pruned to eliminate duplicates Z: 7 3.765 1.747 0.145 0.279 0.667 0.500 CA 1.479 7 residues pruned to eliminate duplicates Z: 25 10.739 2.021 0.393 0.359 0.750 0.542 CB 1.208 25 residues pruned to eliminate duplicates Z: 25 11.143 2.016 0.209 0.326 0.792 0.500 CB 1.427 32 residues pruned to eliminate duplicates Z: 6 4.529 1.501 0.689 0.399 1.000 1.000 CA 0.889 6 residues pruned to eliminate duplicates Z: 20 10.863 1.844 0.216 0.455 0.895 0.474 CA 1.300 20 residues pruned to eliminate duplicates Z: 20 11.375 2.026 0.258 0.373 0.789 0.526 CA 1.486 20 residues pruned to eliminate duplicates Z: 14 9.017 1.932 0.325 0.431 0.923 0.692 CA 1.137 14 residues pruned to eliminate duplicates Z: 13 8.173 1.976 0.235 0.407 0.917 0.500 CA 1.163 13 residues pruned to eliminate duplicates Z: 10 8.202 2.076 0.253 0.401 0.889 0.556 CA 1.312 10 residues pruned to eliminate duplicates Z: 25 11.724 1.969 0.368 0.317 0.792 0.458 CA 1.374 25 residues pruned to eliminate duplicates Z: 24 8.957 2.002 0.214 0.248 0.696 0.391 CA 1.477 25 residues pruned to eliminate duplicates Z: 12 4.792 1.714 0.391 0.555 0.545 0.455 CB 1.053 Z: 12 6.853 1.762 0.330 0.413 0.909 0.455 CA 1.062 18 residues pruned to eliminate duplicates Z: 17 6.310 1.733 0.073 0.402 0.875 0.438 CB 1.075 17 residues pruned to eliminate duplicates Z: 13 5.838 1.711 0.029 0.452 1.000 0.667 CA 1.005 13 residues pruned to eliminate duplicates Z: 10 4.901 1.820 0.256 0.486 0.778 0.444 CA 0.933 10 residues pruned to eliminate duplicates Z: 15 9.375 1.911 0.230 0.488 0.857 0.571 CA 1.259 25 residues pruned to eliminate duplicates Z: 6 7.120 1.896 0.728 0.703 1.000 0.600 CA 0.808 6 residues pruned to eliminate duplicates Z: 17 11.751 1.831 0.291 0.539 1.000 0.625 CB 1.197 17 residues pruned to eliminate duplicates 6 1.509 1.249 -0.171 0.466 1.000 0.800 C 0.675 ? Z: 7 9.034 1.976 0.471 0.568 1.000 0.500 CB 1.188 7 residues pruned to eliminate duplicates Z: 11 7.978 1.942 0.351 0.539 0.900 0.700 CB 1.028 11 residues pruned to eliminate duplicates Z: 6 3.706 1.572 0.375 0.566 1.000 0.400 CB 0.719 5 residues pruned to eliminate duplicates Z: 6 2.332 1.215 0.445 0.350 0.800 0.400 O 0.874 4 residues pruned to eliminate duplicates Z: 7 4.122 1.791 0.343 0.359 0.667 0.333 CB 1.221 7 residues pruned to eliminate duplicates Z: 11 5.397 2.046 0.322 0.252 0.700 0.300 CA 1.199 11 residues pruned to eliminate duplicates Z: 33 20.577 2.044 0.504 0.403 0.906 0.438 CB 1.445 69 residues pruned to eliminate duplicates Z: 34 18.592 2.051 0.552 0.350 0.818 0.424 CB 1.462 34 residues pruned to eliminate duplicates Z: 63 21.983 1.991 0.345 0.399 0.887 0.516 CB 1.306 63 residues pruned to eliminate duplicates Z: 11 9.419 2.034 0.608 0.354 0.900 0.600 CA 1.184 Z: 28 16.648 2.034 0.500 0.342 0.815 0.519 CB 1.532 11 residues pruned to eliminate duplicates Z: 34 16.260 1.907 0.636 0.294 0.788 0.485 CB 1.449 32 residues pruned to eliminate duplicates Z: 9 7.854 1.572 0.939 0.484 1.000 0.500 N 0.926 9 residues pruned to eliminate duplicates Z: 49 21.433 1.997 0.370 0.413 0.854 0.500 CB 1.450 79 residues pruned to eliminate duplicates Z: 23 12.459 1.998 0.286 0.417 0.864 0.591 CB 1.306 23 residues pruned to eliminate duplicates Z: 34 15.638 2.044 0.407 0.352 0.788 0.364 CB 1.409 34 residues pruned to eliminate duplicates Z: 28 17.299 2.025 0.450 0.316 0.852 0.444 CB 1.632 Z: 7 7.545 1.684 0.474 0.534 1.000 0.667 CB 1.201 8 residues pruned to eliminate duplicates Z: 7 3.116 1.528 0.071 0.433 0.833 0.333 CB 0.999 Z: 6 7.554 1.775 1.059 0.370 0.800 0.200 CA 1.327 15 residues pruned to eliminate duplicates Z: 6 6.773 1.529 0.755 0.379 1.000 1.000 CB 1.284 6 residues pruned to eliminate duplicates Z: 27 16.860 2.070 0.267 0.496 0.962 0.538 CB 1.317 27 residues pruned to eliminate duplicates Z: 15 16.819 2.112 0.704 0.479 0.929 0.571 CA 1.374 15 residues pruned to eliminate duplicates Z: 21 19.287 2.161 0.478 0.461 1.000 0.750 CB 1.405 21 residues pruned to eliminate duplicates Z: 20 18.135 2.158 0.424 0.514 0.947 0.579 CB 1.410 20 residues pruned to eliminate duplicates Z: 6 3.539 1.702 0.112 0.436 0.800 0.600 N 1.117 6 residues pruned to eliminate duplicates Z: 13 11.238 2.022 0.315 0.429 1.000 0.750 CA 1.312 13 residues pruned to eliminate duplicates Z: 26 21.066 2.067 0.657 0.477 0.920 0.680 CB 1.370 25 residues pruned to eliminate duplicates Z: 18 13.313 1.961 0.080 0.771 1.000 0.765 CA 1.199 18 residues pruned to eliminate duplicates Z: 36 27.940 2.088 0.462 0.608 1.000 0.829 CA 1.396 36 residues pruned to eliminate duplicates Z: 18 16.155 1.882 0.205 0.896 1.000 0.882 CA 1.238 18 residues pruned to eliminate duplicates Z: 33 29.242 2.149 0.528 0.658 0.969 0.781 CB 1.403 34 residues pruned to eliminate duplicates Z: 17 19.488 2.071 0.355 0.853 0.938 0.625 CA 1.369 17 residues pruned to eliminate duplicates Z: 19 19.979 2.102 0.276 0.902 1.000 0.722 CA 1.252 19 residues pruned to eliminate duplicates Z: 18 20.309 2.044 0.269 0.851 1.000 0.765 CA 1.405 18 residues pruned to eliminate duplicates Z: 16 20.965 2.145 0.419 0.898 0.933 0.667 CA 1.363 16 residues pruned to eliminate duplicates Z: 22 24.341 2.025 0.528 0.823 0.952 0.714 CA 1.362 22 residues pruned to eliminate duplicates Z: 82 47.586 2.112 0.653 0.554 0.938 0.642 CA 1.531 82 residues pruned to eliminate duplicates Z: 18 22.796 2.091 0.694 0.899 0.882 0.647 CA 1.264 18 residues pruned to eliminate duplicates Z: 20 23.697 2.011 0.621 0.858 1.000 0.684 CA 1.229 20 residues pruned to eliminate duplicates Z: 22 22.720 1.990 0.539 0.852 0.905 0.524 CA 1.323 22 residues pruned to eliminate duplicates Z: 18 23.215 2.093 0.582 0.891 0.941 0.765 CA 1.299 18 residues pruned to eliminate duplicates Z: 65 43.144 2.112 0.707 0.594 0.906 0.562 CA 1.509 65 residues pruned to eliminate duplicates Z: 18 26.681 2.060 0.670 0.916 1.000 0.647 CA 1.328 18 residues pruned to eliminate duplicates Z: 21 24.208 2.037 0.645 0.826 0.950 0.650 CA 1.282 21 residues pruned to eliminate duplicates Z: 27 24.220 1.975 0.727 0.691 0.885 0.654 CA 1.321 27 residues pruned to eliminate duplicates Z: 38 31.166 2.099 0.626 0.620 0.973 0.568 CA 1.377 38 residues pruned to eliminate duplicates Z: 24 20.593 1.951 0.720 0.715 0.870 0.348 CA 1.211 24 residues pruned to eliminate duplicates Z: 24 22.414 1.978 0.621 0.697 0.957 0.609 CA 1.273 24 residues pruned to eliminate duplicates Z: 77 41.964 2.048 0.601 0.575 0.921 0.618 CA 1.482 77 residues pruned to eliminate duplicates Z: 66 39.841 2.077 0.627 0.578 0.908 0.600 CA 1.495 66 residues pruned to eliminate duplicates Z: 48 28.349 2.057 0.615 0.490 0.872 0.574 CB 1.442 48 residues pruned to eliminate duplicates Z: 21 26.759 2.081 0.809 0.632 0.900 0.600 CB 1.560 21 residues pruned to eliminate duplicates Z: 39 30.080 2.103 0.761 0.462 0.868 0.553 CB 1.578 39 residues pruned to eliminate duplicates Z: 55 37.385 2.053 0.741 0.601 0.907 0.685 CA 1.425 55 residues pruned to eliminate duplicates Z: 53 32.263 1.994 0.659 0.466 0.904 0.500 CB 1.549 42 residues pruned to eliminate duplicates Z: 12 25.253 2.041 0.970 0.908 1.000 0.727 CA 1.345 12 residues pruned to eliminate duplicates Z: 64 39.953 2.076 0.668 0.571 0.889 0.603 CB 1.528 64 residues pruned to eliminate duplicates Z: 58 44.195 2.099 0.712 0.611 0.982 0.579 CA 1.492 58 residues pruned to eliminate duplicates Z: 44 33.771 2.129 0.613 0.527 0.884 0.558 CA 1.652 44 residues pruned to eliminate duplicates Z: 19 19.644 1.956 0.828 0.573 0.944 0.556 CB 1.278 19 residues pruned to eliminate duplicates Z: 44 37.121 2.154 0.747 0.520 0.907 0.558 CB 1.627 53 residues pruned to eliminate duplicates Z: 12 29.063 2.240 0.669 0.890 1.000 0.727 CB 1.686 12 residues pruned to eliminate duplicates Z: 50 34.032 2.083 0.622 0.504 0.939 0.571 CB 1.526 49 residues pruned to eliminate duplicates Z: 8 7.715 1.909 0.877 0.471 1.000 0.429 CB 0.838 8 residues pruned to eliminate duplicates Z: 47 31.356 2.108 0.514 0.506 0.891 0.587 CA 1.615 47 residues pruned to eliminate duplicates Z: 31 23.479 2.122 0.483 0.433 0.900 0.467 CB 1.622 33 residues pruned to eliminate duplicates Z: 7 3.869 1.622 -0.095 0.450 1.000 0.667 CA 1.133 7 residues pruned to eliminate duplicates Z: 66 41.041 2.111 0.624 0.595 0.892 0.615 CA 1.520 66 residues pruned to eliminate duplicates Z: 33 22.311 2.100 0.548 0.420 0.812 0.531 CA 1.624 31 residues pruned to eliminate duplicates Z: 7 4.175 1.641 0.617 0.193 0.833 0.000 C 1.112 7 residues pruned to eliminate duplicates Z: 28 13.603 1.987 0.298 0.319 0.778 0.407 CB 1.594 28 residues pruned to eliminate duplicates Z: 24 19.057 2.110 0.471 0.420 0.870 0.435 CA 1.600 24 residues pruned to eliminate duplicates Z: 45 35.036 2.127 0.708 0.517 0.909 0.568 CB 1.573 45 residues pruned to eliminate duplicates Z: 6 3.384 1.517 0.441 0.287 0.800 0.600 CA 1.100 6 residues pruned to eliminate duplicates Z: 22 20.821 2.158 0.576 0.494 0.857 0.571 CB 1.568 22 residues pruned to eliminate duplicates Z: 46 33.156 2.115 0.754 0.513 0.867 0.600 CB 1.518 46 residues pruned to eliminate duplicates Z: 33 22.346 2.098 0.601 0.390 0.844 0.531 CA 1.565 33 residues pruned to eliminate duplicates Z: 48 32.079 2.063 0.631 0.484 0.915 0.574 CA 1.545 48 residues pruned to eliminate duplicates Z: 24 19.153 2.108 0.624 0.440 0.783 0.609 CB 1.586 24 residues pruned to eliminate duplicates Z: 10 10.611 1.902 0.648 0.700 0.778 0.444 CB 1.209 10 residues pruned to eliminate duplicates Z: 26 18.513 2.032 0.624 0.403 0.800 0.440 CA 1.553 26 residues pruned to eliminate duplicates Z: 25 16.800 2.017 0.539 0.381 0.833 0.542 CB 1.504 24 residues pruned to eliminate duplicates Z: 9 19.686 1.976 0.725 0.847 1.000 0.625 CA 1.515 9 residues pruned to eliminate duplicates Z: 45 37.054 2.135 0.690 0.534 0.932 0.614 CB 1.607 45 residues pruned to eliminate duplicates Z: 7 5.057 1.990 0.815 0.109 0.667 0.500 CB 1.407 6 residues pruned to eliminate duplicates Z: 12 17.056 1.947 1.034 0.705 0.909 0.636 CA 1.186 12 residues pruned to eliminate duplicates Z: 46 35.506 2.127 0.711 0.517 0.889 0.600 CB 1.609 48 residues pruned to eliminate duplicates Z: 6 3.779 1.636 0.476 0.219 0.800 0.400 CA 1.216 6 residues pruned to eliminate duplicates Z: 10 10.377 2.137 0.435 0.357 0.889 0.667 CB 1.481 12 residues pruned to eliminate duplicates Z: 15 10.623 1.829 0.589 0.333 0.857 0.500 CB 1.368 13 residues pruned to eliminate duplicates Z: 14 11.879 2.047 0.687 0.304 1.000 0.462 CB 1.187 13 residues pruned to eliminate duplicates Z: 10 6.911 2.062 0.404 0.305 0.889 0.667 CB 1.112 10 residues pruned to eliminate duplicates Z: 15 7.539 1.785 0.562 0.320 0.786 0.357 CB 1.121 15 residues pruned to eliminate duplicates Z: 13 8.306 1.889 0.550 0.225 0.750 0.333 CB 1.505 13 residues pruned to eliminate duplicates Z: 13 8.355 1.937 0.384 0.302 0.833 0.417 CB 1.347 14 residues pruned to eliminate duplicates Z: 6 3.019 1.726 0.331 0.294 0.800 0.200 CA 0.926 6 residues pruned to eliminate duplicates Z: 6 10.506 2.001 0.681 0.443 1.000 0.400 CA 1.481 6 residues pruned to eliminate duplicates Z: 14 7.761 1.935 0.495 0.257 0.769 0.385 CB 1.279 14 residues pruned to eliminate duplicates Z: 13 9.238 2.009 0.375 0.235 0.917 0.417 CB 1.434 13 residues pruned to eliminate duplicates Z: 6 3.003 1.690 0.415 0.342 0.600 0.600 CA 1.113 6 residues pruned to eliminate duplicates Z: 12 9.598 2.144 0.438 0.383 1.000 0.636 CA 1.062 12 residues pruned to eliminate duplicates Z: 74 50.046 2.215 0.683 0.543 0.932 0.603 CB 1.617 74 residues pruned to eliminate duplicates Z: 44 46.808 2.252 0.707 0.680 1.000 0.698 CA 1.573 44 residues pruned to eliminate duplicates Z: 66 45.607 2.163 0.646 0.553 0.954 0.538 CB 1.582 66 residues pruned to eliminate duplicates Z: 43 44.595 2.259 0.605 0.704 0.976 0.738 CB 1.614 43 residues pruned to eliminate duplicates Z: 39 42.499 2.242 0.658 0.655 0.974 0.605 CA 1.650 39 residues pruned to eliminate duplicates Z: 22 39.470 2.224 0.899 0.881 0.905 0.619 CA 1.631 22 residues pruned to eliminate duplicates Z: 11 20.989 2.235 0.869 0.725 0.900 0.600 CA 1.442 11 residues pruned to eliminate duplicates Z: 56 39.742 2.185 0.625 0.547 0.927 0.564 CB 1.555 63 residues pruned to eliminate duplicates Z: 22 35.822 2.223 0.567 0.877 1.000 0.619 CA 1.630 22 residues pruned to eliminate duplicates Z: 51 45.753 2.213 0.737 0.620 0.920 0.660 CA 1.633 51 residues pruned to eliminate duplicates Z: 54 41.831 2.194 0.538 0.605 0.943 0.528 CA 1.634 54 residues pruned to eliminate duplicates Z: 63 50.048 2.194 0.687 0.579 0.984 0.597 CB 1.619 11 residues pruned to eliminate duplicates Z: 21 45.774 2.263 0.818 0.912 1.000 0.850 CB 1.762 21 residues pruned to eliminate duplicates Z: 52 36.810 2.155 0.537 0.598 0.941 0.431 CB 1.507 52 residues pruned to eliminate duplicates Z: 54 41.818 2.204 0.602 0.604 0.925 0.547 CA 1.593 54 residues pruned to eliminate duplicates Z: 66 45.330 2.152 0.646 0.586 0.938 0.585 CB 1.558 66 residues pruned to eliminate duplicates Z: 42 41.051 2.172 0.785 0.616 0.927 0.585 CA 1.599 42 residues pruned to eliminate duplicates Z: 63 44.058 2.162 0.688 0.592 0.919 0.613 CB 1.527 63 residues pruned to eliminate duplicates Z: 20 47.913 2.320 1.039 0.912 0.947 0.421 CA 1.737 20 residues pruned to eliminate duplicates Z: 45 46.726 2.234 0.665 0.662 1.000 0.568 CA 1.629 45 residues pruned to eliminate duplicates Z: 45 45.518 2.235 0.728 0.646 0.932 0.500 CA 1.663 45 residues pruned to eliminate duplicates Z: 51 46.320 2.213 0.711 0.649 0.940 0.560 CB 1.601 51 residues pruned to eliminate duplicates Z: 35 35.155 2.194 0.735 0.629 0.912 0.588 CB 1.539 35 residues pruned to eliminate duplicates Z: 47 41.512 2.158 0.683 0.657 0.913 0.457 CB 1.595 47 residues pruned to eliminate duplicates Z: 33 42.361 2.260 0.767 0.711 0.938 0.562 CB 1.651 33 residues pruned to eliminate duplicates Z: 45 43.810 2.245 0.668 0.636 0.932 0.568 CA 1.667 45 residues pruned to eliminate duplicates Z: 55 48.031 2.197 0.751 0.603 0.963 0.556 CA 1.599 55 residues pruned to eliminate duplicates Z: 70 36.766 2.053 0.587 0.502 0.913 0.507 CB 1.485 70 residues pruned to eliminate duplicates Z: 44 44.555 2.224 0.731 0.683 0.953 0.535 CB 1.565 44 residues pruned to eliminate duplicates Z: 54 50.054 2.214 0.793 0.613 0.943 0.528 CB 1.649 54 residues pruned to eliminate duplicates Z: 46 45.513 2.198 0.763 0.639 0.956 0.556 CB 1.609 46 residues pruned to eliminate duplicates Z: 15 19.980 2.167 0.635 0.651 0.929 0.500 CB 1.410 15 residues pruned to eliminate duplicates Z: 38 49.186 2.287 0.846 0.731 0.946 0.514 CB 1.645 38 residues pruned to eliminate duplicates Z: 45 43.169 2.239 0.666 0.631 0.955 0.568 CA 1.617 45 residues pruned to eliminate duplicates Z: 54 50.843 2.212 0.789 0.620 0.962 0.604 CB 1.638 54 residues pruned to eliminate duplicates Z: 53 49.780 2.209 0.820 0.606 0.981 0.500 CB 1.583 53 residues pruned to eliminate duplicates Z: 55 48.458 2.199 0.790 0.616 0.944 0.481 CB 1.589 55 residues pruned to eliminate duplicates Z: 63 48.762 2.208 0.663 0.565 0.984 0.500 CB 1.611 63 residues pruned to eliminate duplicates Z: 63 48.036 2.183 0.688 0.591 0.952 0.597 CB 1.595 63 residues pruned to eliminate duplicates Z: 23 15.560 2.021 0.533 0.343 0.955 0.455 CB 1.330 23 residues pruned to eliminate duplicates Z: 43 51.296 2.249 0.983 0.724 0.905 0.500 CB 1.603 43 residues pruned to eliminate duplicates Z: 64 47.108 2.176 0.674 0.578 0.952 0.540 CB 1.587 64 residues pruned to eliminate duplicates Z: 42 25.995 2.140 0.517 0.367 0.927 0.585 CA 1.556 42 residues pruned to eliminate duplicates Z: 71 38.584 2.103 0.693 0.454 0.871 0.571 CA 1.557 71 residues pruned to eliminate duplicates Z: 58 25.929 2.067 0.358 0.405 0.895 0.526 CA 1.511 58 residues pruned to eliminate duplicates Z: 38 22.106 2.103 0.517 0.360 0.919 0.486 CA 1.441 38 residues pruned to eliminate duplicates Z: 30 21.018 2.173 0.611 0.311 0.897 0.483 CA 1.532 30 residues pruned to eliminate duplicates Z: 30 21.272 2.166 0.579 0.329 0.862 0.448 CA 1.616 30 residues pruned to eliminate duplicates Z: 24 20.025 2.061 0.556 0.398 0.957 0.565 CA 1.515 24 residues pruned to eliminate duplicates Z: 74 50.705 2.208 0.741 0.540 0.932 0.562 CA 1.594 74 residues pruned to eliminate duplicates Z: 75 52.134 2.215 0.731 0.522 0.946 0.541 CB 1.635 75 residues pruned to eliminate duplicates Z: 22 19.489 2.175 0.757 0.332 0.857 0.524 CA 1.561 22 residues pruned to eliminate duplicates Z: 23 15.460 2.155 0.583 0.254 0.864 0.455 CA 1.484 23 residues pruned to eliminate duplicates Z: 57 40.699 2.195 0.745 0.495 0.929 0.536 CB 1.536 57 residues pruned to eliminate duplicates Z: 48 32.188 2.132 0.421 0.517 0.936 0.617 CA 1.627 48 residues pruned to eliminate duplicates Z: 25 19.243 2.149 0.631 0.346 0.875 0.500 CA 1.515 25 residues pruned to eliminate duplicates Z: 52 32.188 2.121 0.476 0.512 0.941 0.667 CA 1.512 52 residues pruned to eliminate duplicates Z: 30 24.046 2.207 0.814 0.305 0.862 0.448 CA 1.608 30 residues pruned to eliminate duplicates Z: 74 50.836 2.234 0.733 0.507 0.932 0.507 CA 1.639 74 residues pruned to eliminate duplicates Z: 103 61.380 2.188 0.673 0.560 0.941 0.520 CB 1.664 103 residues pruned to eliminate duplicates Z: 25 16.287 2.097 0.623 0.277 0.917 0.500 CA 1.371 25 residues pruned to eliminate duplicates Z: 74 53.923 2.227 0.774 0.540 0.932 0.521 CA 1.649 74 residues pruned to eliminate duplicates Z: 26 19.099 2.112 0.687 0.357 0.920 0.560 CA 1.359 26 residues pruned to eliminate duplicates Z: 17 15.335 2.173 0.496 0.343 0.875 0.438 CA 1.598 17 residues pruned to eliminate duplicates Z: 16 11.651 1.941 0.411 0.459 0.800 0.533 C 1.431 16 residues pruned to eliminate duplicates Z: 70 34.446 2.085 0.473 0.478 0.899 0.551 CB 1.537 70 residues pruned to eliminate duplicates Z: 85 47.232 2.104 0.682 0.478 0.940 0.464 CA 1.584 85 residues pruned to eliminate duplicates Z: 59 32.228 2.069 0.423 0.472 0.931 0.569 CB 1.588 59 residues pruned to eliminate duplicates Z: 85 53.799 2.218 0.629 0.519 0.964 0.571 CA 1.654 85 residues pruned to eliminate duplicates Z: 24 18.742 2.085 0.345 0.621 0.870 0.696 CB 1.430 24 residues pruned to eliminate duplicates Z: 12 11.141 1.998 0.297 0.452 1.000 0.818 CA 1.361 12 residues pruned to eliminate duplicates Z: 59 31.891 2.110 0.368 0.490 0.897 0.517 CA 1.633 59 residues pruned to eliminate duplicates Z: 11 9.884 1.965 0.402 0.469 0.800 0.600 N 1.463 11 residues pruned to eliminate duplicates Z: 113 50.380 2.137 0.511 0.549 0.893 0.536 CB 1.574 113 residues pruned to eliminate duplicates Z: 15 9.467 2.119 0.054 0.423 0.929 0.643 CA 1.323 15 residues pruned to eliminate duplicates Z: 25 21.746 2.162 0.404 0.656 0.833 0.625 CA 1.518 25 residues pruned to eliminate duplicates Z: 25 22.873 2.114 0.246 0.682 0.958 0.667 CB 1.565 25 residues pruned to eliminate duplicates Z: 36 25.614 2.075 0.321 0.621 0.857 0.629 CA 1.644 36 residues pruned to eliminate duplicates Z: 51 24.876 2.064 0.336 0.542 0.900 0.580 CB 1.360 51 residues pruned to eliminate duplicates Z: 36 21.061 2.034 0.305 0.598 0.829 0.629 CB 1.474 36 residues pruned to eliminate duplicates Z: 35 24.473 2.062 0.322 0.631 0.882 0.676 CB 1.543 35 residues pruned to eliminate duplicates Z: 31 22.028 2.063 0.278 0.621 0.867 0.667 CB 1.570 31 residues pruned to eliminate duplicates Z: 30 24.612 2.083 0.270 0.710 0.966 0.690 CB 1.479 30 residues pruned to eliminate duplicates Z: 26 17.788 2.098 0.265 0.673 0.800 0.640 CB 1.429 26 residues pruned to eliminate duplicates Z: 32 26.125 2.027 0.657 0.646 0.839 0.548 CB 1.455 32 residues pruned to eliminate duplicates Z: 25 22.593 2.099 0.522 0.680 0.875 0.625 CB 1.398 25 residues pruned to eliminate duplicates Z: 27 24.771 2.141 0.410 0.722 0.885 0.808 CB 1.488 27 residues pruned to eliminate duplicates Z: 28 27.215 2.122 0.450 0.713 0.889 0.778 CB 1.579 28 residues pruned to eliminate duplicates Z: 29 23.335 2.094 0.509 0.626 0.893 0.571 CB 1.388 29 residues pruned to eliminate duplicates Z: 26 21.540 2.137 0.334 0.702 0.840 0.600 CB 1.497 26 residues pruned to eliminate duplicates Z: 22 25.409 2.131 0.671 0.684 0.952 0.619 CB 1.381 22 residues pruned to eliminate duplicates Z: 31 22.115 2.090 0.524 0.642 0.833 0.467 CB 1.332 31 residues pruned to eliminate duplicates Z: 27 28.758 2.091 0.628 0.731 0.885 0.577 CB 1.522 27 residues pruned to eliminate duplicates Z: 20 9.296 1.928 0.310 0.308 0.789 0.474 CB 1.324 20 residues pruned to eliminate duplicates Z: 32 22.631 2.023 0.591 0.598 0.839 0.419 CB 1.371 32 residues pruned to eliminate duplicates Z: 10 4.379 1.865 0.273 0.278 0.556 0.333 N 1.423 10 residues pruned to eliminate duplicates Z: 9 4.180 1.873 -0.048 0.276 0.750 0.375 CA 1.423 9 residues pruned to eliminate duplicates Z: 9 6.532 1.890 0.104 0.330 0.875 0.375 N 1.523 9 residues pruned to eliminate duplicates Z: 8 2.461 1.863 -0.171 0.297 0.571 0.143 CB 1.323 8 residues pruned to eliminate duplicates Z: 8 2.465 1.837 0.105 0.286 0.429 0.286 N 1.363 8 residues pruned to eliminate duplicates Z: 11 2.553 1.847 0.244 0.201 0.400 0.200 CB 1.253 11 residues pruned to eliminate duplicates Z: 40 16.724 1.948 0.438 0.352 0.821 0.410 CB 1.368 34 residues pruned to eliminate duplicates Z: 25 12.405 2.025 0.371 0.405 0.833 0.458 CB 1.209 25 residues pruned to eliminate duplicates Z: 31 10.684 1.906 0.308 0.318 0.800 0.400 CB 1.196 31 residues pruned to eliminate duplicates Z: 31 13.427 1.844 0.450 0.320 0.800 0.467 CB 1.399 31 residues pruned to eliminate duplicates Z: 28 14.837 1.988 0.487 0.375 0.852 0.519 CB 1.296 28 residues pruned to eliminate duplicates Z: 40 19.621 1.972 0.511 0.348 0.872 0.487 CB 1.426 46 residues pruned to eliminate duplicates Z: 6 3.412 1.647 0.101 0.551 1.000 0.800 CB 0.800 6 residues pruned to eliminate duplicates Z: 24 15.810 2.021 0.488 0.422 0.870 0.565 CB 1.367 24 residues pruned to eliminate duplicates Z: 21 15.712 2.034 0.505 0.446 0.900 0.500 CB 1.347 21 residues pruned to eliminate duplicates Z: 24 15.199 1.933 0.463 0.443 0.913 0.609 CB 1.302 24 residues pruned to eliminate duplicates Z: 21 13.590 1.965 0.282 0.477 0.900 0.550 CB 1.372 21 residues pruned to eliminate duplicates Z: 21 14.508 1.968 0.393 0.489 0.950 0.500 CB 1.259 21 residues pruned to eliminate duplicates Z: 29 10.972 1.978 0.304 0.333 0.786 0.393 CB 1.228 29 residues pruned to eliminate duplicates Z: 7 5.920 2.058 -0.071 0.475 1.000 0.333 CB 1.297 7 residues pruned to eliminate duplicates Z: 27 9.257 1.964 0.263 0.347 0.731 0.462 CB 1.182 27 residues pruned to eliminate duplicates Z: 26 12.777 1.985 0.361 0.395 0.880 0.600 CB 1.201 26 residues pruned to eliminate duplicates 10 1.891 1.871 -0.199 0.247 0.778 0.333 CB 0.724 ? Z: 16 8.618 1.973 0.132 0.277 0.867 0.400 CB 1.481 16 residues pruned to eliminate duplicates Z: 21 7.421 1.913 0.200 0.238 0.800 0.400 CB 1.224 21 residues pruned to eliminate duplicates Z: 35 9.824 1.883 0.295 0.274 0.794 0.441 CB 1.123 35 residues pruned to eliminate duplicates Z: 31 14.192 2.015 0.339 0.371 0.833 0.467 CB 1.323 31 residues pruned to eliminate duplicates Z: 22 10.555 1.966 0.375 0.274 0.762 0.476 CA 1.445 22 residues pruned to eliminate duplicates Z: 16 10.590 1.949 0.706 0.370 0.800 0.400 CA 1.182 16 residues pruned to eliminate duplicates Z: 9 3.634 1.940 0.222 0.153 0.625 0.375 CA 1.328 9 residues pruned to eliminate duplicates Z: 24 14.561 2.006 0.416 0.412 0.826 0.609 CB 1.419 24 residues pruned to eliminate duplicates Z: 25 14.339 1.949 0.488 0.369 0.875 0.458 CB 1.327 25 residues pruned to eliminate duplicates Z: 15 10.015 1.947 0.551 0.406 0.714 0.429 CA 1.369 15 residues pruned to eliminate duplicates Z: 39 18.211 1.959 0.472 0.351 0.842 0.474 CB 1.430 39 residues pruned to eliminate duplicates Z: 27 14.980 2.007 0.629 0.359 0.769 0.462 CA 1.360 27 residues pruned to eliminate duplicates Z: 17 11.493 1.924 0.459 0.348 0.875 0.438 CA 1.380 17 residues pruned to eliminate duplicates Z: 16 9.760 1.892 0.373 0.336 0.867 0.400 CA 1.339 16 residues pruned to eliminate duplicates Z: 13 9.187 1.663 0.736 0.504 1.000 0.500 CA 0.915 13 residues pruned to eliminate duplicates Z: 39 17.168 1.983 0.555 0.322 0.868 0.526 CA 1.265 39 residues pruned to eliminate duplicates Z: 15 7.947 1.922 0.474 0.195 0.857 0.429 CA 1.258 15 residues pruned to eliminate duplicates Z: 13 8.246 1.935 0.564 0.262 0.750 0.333 CA 1.377 13 residues pruned to eliminate duplicates Z: 31 20.506 2.005 0.800 0.380 0.867 0.500 CA 1.361 31 residues pruned to eliminate duplicates Z: 15 12.425 2.070 0.752 0.356 0.929 0.429 CA 1.152 15 residues pruned to eliminate duplicates Z: 24 17.697 1.964 0.606 0.477 0.957 0.609 CA 1.252 33 residues pruned to eliminate duplicates Z: 20 15.515 2.051 0.761 0.386 0.842 0.421 CA 1.320 20 residues pruned to eliminate duplicates Z: 52 34.193 2.067 0.553 0.540 0.922 0.627 CA 1.556 52 residues pruned to eliminate duplicates Z: 24 15.312 1.983 0.768 0.396 0.870 0.478 CA 1.169 24 residues pruned to eliminate duplicates Z: 20 12.866 2.009 0.722 0.295 0.842 0.474 CA 1.275 20 residues pruned to eliminate duplicates Z: 54 31.298 2.010 0.515 0.537 0.906 0.623 CA 1.503 54 residues pruned to eliminate duplicates Z: 31 15.629 2.013 0.549 0.417 0.867 0.600 CA 1.152 31 residues pruned to eliminate duplicates Z: 25 19.809 2.058 0.701 0.492 0.833 0.625 CA 1.397 25 residues pruned to eliminate duplicates Z: 64 37.789 2.042 0.598 0.549 0.921 0.635 CB 1.510 64 residues pruned to eliminate duplicates Z: 38 33.594 2.133 0.576 0.599 0.919 0.649 CA 1.627 38 residues pruned to eliminate duplicates Z: 33 19.126 1.933 0.704 0.348 0.844 0.562 CA 1.434 33 residues pruned to eliminate duplicates Z: 47 33.158 2.027 0.542 0.622 0.957 0.717 CA 1.458 47 residues pruned to eliminate duplicates Z: 28 17.773 1.919 0.394 0.495 0.963 0.667 CA 1.335 28 residues pruned to eliminate duplicates Z: 44 26.157 1.942 0.410 0.582 0.837 0.628 CB 1.608 44 residues pruned to eliminate duplicates Z: 15 7.436 1.730 0.310 0.449 0.714 0.286 CB 1.294 15 residues pruned to eliminate duplicates Z: 9 11.792 2.002 0.519 0.595 0.875 0.625 CA 1.431 9 residues pruned to eliminate duplicates Z: 17 8.437 1.861 0.392 0.338 0.688 0.562 CA 1.413 17 residues pruned to eliminate duplicates Z: 22 13.229 1.838 0.594 0.370 0.857 0.714 CA 1.322 22 residues pruned to eliminate duplicates Z: 51 29.097 2.026 0.557 0.476 0.940 0.560 CA 1.422 51 residues pruned to eliminate duplicates Z: 34 33.784 2.097 0.498 0.696 0.970 0.667 CA 1.615 34 residues pruned to eliminate duplicates Z: 38 33.568 2.023 0.576 0.665 0.892 0.568 CA 1.666 38 residues pruned to eliminate duplicates Z: 32 32.653 2.121 0.405 0.745 0.968 0.774 CA 1.633 32 residues pruned to eliminate duplicates Z: 41 34.315 2.011 0.550 0.622 0.950 0.675 CB 1.633 41 residues pruned to eliminate duplicates Z: 22 37.270 2.142 0.768 0.860 0.905 0.667 CB 1.746 24 residues pruned to eliminate duplicates Z: 16 23.604 2.039 0.479 0.792 0.933 0.800 O 1.675 16 residues pruned to eliminate duplicates Z: 34 27.757 2.076 0.612 0.562 0.879 0.667 CA 1.547 34 residues pruned to eliminate duplicates Z: 51 35.107 2.058 0.599 0.593 0.940 0.700 CA 1.469 51 residues pruned to eliminate duplicates Z: 30 32.567 2.102 0.611 0.650 1.000 0.724 CA 1.554 30 residues pruned to eliminate duplicates Z: 55 35.513 1.979 0.627 0.545 0.907 0.519 CA 1.584 47 residues pruned to eliminate duplicates Z: 18 28.132 2.042 0.629 0.869 0.941 0.412 CB 1.593 25 residues pruned to eliminate duplicates Z: 23 29.106 1.953 0.790 0.877 0.864 0.318 CB 1.492 23 residues pruned to eliminate duplicates Z: 32 28.677 2.092 0.651 0.596 0.871 0.323 CB 1.563 32 residues pruned to eliminate duplicates Z: 21 30.705 2.087 0.734 0.910 0.850 0.500 CB 1.582 21 residues pruned to eliminate duplicates Z: 22 37.173 2.168 0.842 0.899 0.857 0.476 CB 1.694 23 residues pruned to eliminate duplicates Z: 22 35.223 2.128 0.682 0.907 0.905 0.286 CB 1.686 22 residues pruned to eliminate duplicates Z: 14 26.584 2.109 0.753 0.865 0.846 0.231 CB 1.727 14 residues pruned to eliminate duplicates Z: 15 19.067 1.940 0.759 0.837 0.786 0.357 CA 1.422 15 residues pruned to eliminate duplicates Z: 24 28.258 2.072 0.761 0.842 0.826 0.261 CB 1.457 22 residues pruned to eliminate duplicates Z: 22 28.019 2.109 0.623 0.838 0.810 0.190 CB 1.648 22 residues pruned to eliminate duplicates Z: 16 23.247 2.028 0.751 0.772 0.800 0.333 CB 1.661 16 residues pruned to eliminate duplicates Z: 39 32.765 1.966 0.655 0.655 0.921 0.500 CB 1.535 39 residues pruned to eliminate duplicates Z: 39 30.332 2.017 0.674 0.624 0.921 0.421 CB 1.408 39 residues pruned to eliminate duplicates Z: 13 9.854 2.268 0.334 0.324 0.667 0.583 CB 1.712 13 residues pruned to eliminate duplicates Z: 18 15.267 2.069 0.356 0.450 0.882 0.471 CA 1.575 19 residues pruned to eliminate duplicates Z: 7 7.502 1.947 0.930 0.402 0.667 0.667 CA 1.355 7 residues pruned to eliminate duplicates Z: 18 15.124 2.032 0.257 0.488 0.941 0.529 CA 1.544 18 residues pruned to eliminate duplicates Z: 12 11.729 2.166 0.237 0.419 0.818 0.636 CB 1.755 12 residues pruned to eliminate duplicates Z: 12 11.105 2.185 0.220 0.379 0.909 0.545 CB 1.573 12 residues pruned to eliminate duplicates Z: 18 15.779 2.067 0.356 0.434 0.882 0.529 CB 1.657 18 residues pruned to eliminate duplicates Z: 16 9.739 1.923 0.509 0.339 0.733 0.467 CA 1.408 16 residues pruned to eliminate duplicates Z: 13 11.782 2.168 0.376 0.306 0.833 0.417 CB 1.698 13 residues pruned to eliminate duplicates Z: 18 11.513 1.996 0.311 0.363 0.824 0.471 CB 1.500 18 residues pruned to eliminate duplicates Z: 6 6.690 1.819 0.400 0.588 0.800 0.800 CA 1.350 4 residues pruned to eliminate duplicates Z: 10 23.520 1.942 0.970 0.901 1.000 0.778 CB 1.462 10 residues pruned to eliminate duplicates Z: 11 16.361 1.958 0.802 0.622 0.900 0.300 CB 1.452 11 residues pruned to eliminate duplicates Z: 10 18.001 2.061 0.702 0.697 0.889 0.444 CA 1.608 10 residues pruned to eliminate duplicates Z: 11 14.183 1.997 0.516 0.688 0.800 0.200 CB 1.558 20 residues pruned to eliminate duplicates Z: 11 10.677 1.908 0.541 0.527 1.000 0.500 CB 1.118 26 residues pruned to eliminate duplicates Z: 10 20.844 2.123 0.726 0.804 0.889 0.222 CA 1.636 10 residues pruned to eliminate duplicates Z: 13 14.302 1.968 0.591 0.616 0.833 0.500 CA 1.417 13 residues pruned to eliminate duplicates 567 residues left after pruning, divided into chains as follows: A: 9 B: 7 C: 14 D: 8 E: 8 F: 9 G: 10 H: 27 I: 38 J: 11 K: 41 L: 18 M: 27 N: 82 O: 9 P: 16 Q: 11 R: 190 S: 21 T: 11 CC for partial structure against native data = 21.76 % ------------------------------------------------------------------------------ Global autotracing cycle 19 = 0.300, Contrast = 0.421, Connect. = 0.681 for dens.mod. cycle 1 = 0.300, Contrast = 0.483, Connect. = 0.705 for dens.mod. cycle 2 = 0.300, Contrast = 0.559, Connect. = 0.740 for dens.mod. cycle 3 = 0.300, Contrast = 0.563, Connect. = 0.744 for dens.mod. cycle 4 = 0.300, Contrast = 0.569, Connect. = 0.748 for dens.mod. cycle 5 = 0.300, Contrast = 0.573, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.576, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.578, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.579, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.579, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6789 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1180 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 2.631 1.675 0.138 0.360 0.667 0.556 CB 0.803 B: 25 19.860 2.160 0.642 0.347 0.875 0.417 CA 1.542 C: 12 14.905 1.913 0.504 0.869 0.909 0.545 CB 1.255 D: 16 17.015 2.139 0.264 0.841 0.933 0.733 CB 1.298 E: 21 23.193 2.029 0.524 0.849 0.950 0.700 CB 1.309 16 residues pruned to eliminate duplicates F: 23 37.734 2.195 0.825 0.881 0.955 0.773 CA 1.524 G: 22 41.198 2.188 0.915 0.889 1.000 0.810 CA 1.544 22 residues pruned to eliminate duplicates H: 13 26.927 2.106 0.845 0.884 1.000 0.750 CA 1.445 I: 12 19.868 2.089 0.640 0.879 0.909 0.727 CB 1.395 12 residues pruned to eliminate duplicates J: 24 31.512 1.994 0.588 0.853 0.957 0.739 CA 1.603 K: 11 23.656 2.181 0.666 0.891 0.900 0.900 CA 1.644 12 residues pruned to eliminate duplicates L: 71 41.478 2.144 0.590 0.486 0.929 0.486 CB 1.587 46 residues pruned to eliminate duplicates M: 17 18.826 2.112 0.471 0.822 0.875 0.625 CB 1.310 17 residues pruned to eliminate duplicates N: 20 13.165 2.023 0.344 0.500 0.895 0.579 CB 1.241 O: 11 12.732 2.301 0.013 0.857 0.900 0.700 CB 1.415 11 residues pruned to eliminate duplicates P: 18 23.204 2.088 0.437 0.889 1.000 0.824 CB 1.351 18 residues pruned to eliminate duplicates Q: 20 46.382 2.333 0.855 0.932 1.000 0.474 CA 1.716 20 residues pruned to eliminate duplicates R: 9 6.819 1.829 0.375 0.479 0.750 0.625 CB 1.307 S: 22 12.291 1.975 0.503 0.332 0.857 0.429 CB 1.268 T: 40 35.225 2.111 0.608 0.723 1.000 0.615 CA 1.359 12 residues pruned to eliminate duplicates U: 23 38.813 2.156 0.991 0.912 0.864 0.455 CA 1.580 23 residues pruned to eliminate duplicates V: 12 8.700 1.926 0.279 0.301 1.000 0.364 CB 1.329 W: 21 30.509 2.078 0.468 0.877 0.950 0.700 CA 1.710 21 residues pruned to eliminate duplicates X: 43 38.365 2.111 0.628 0.643 0.952 0.619 CA 1.581 24 residues pruned to eliminate duplicates Y: 11 5.212 1.748 0.183 0.442 0.700 0.500 CB 1.209 9 residues pruned to eliminate duplicates Z: 10 18.405 2.043 0.469 0.913 1.000 0.667 CB 1.447 12 residues pruned to eliminate duplicates Z: 22 31.887 2.105 0.472 0.891 1.000 0.857 CA 1.615 22 residues pruned to eliminate duplicates Z: 11 24.259 2.233 0.637 0.869 0.900 0.700 CA 1.703 11 residues pruned to eliminate duplicates Z: 21 32.703 2.203 0.653 0.840 0.950 0.600 CA 1.578 21 residues pruned to eliminate duplicates Z: 17 21.917 2.155 0.371 0.839 1.000 0.688 CB 1.385 17 residues pruned to eliminate duplicates Z: 9 17.094 2.353 0.281 0.857 1.000 0.625 CB 1.478 9 residues pruned to eliminate duplicates Z: 9 6.944 2.231 0.178 0.442 0.875 0.625 CB 1.134 Z: 21 45.508 2.252 1.058 0.912 0.900 0.250 CA 1.728 21 residues pruned to eliminate duplicates Z: 10 16.684 1.731 0.906 0.867 1.000 0.889 CA 1.233 Z: 28 15.197 1.998 0.414 0.418 0.889 0.630 CA 1.269 Z: 18 19.969 2.299 0.705 0.416 0.882 0.588 CA 1.529 18 residues pruned to eliminate duplicates Z: 21 35.179 2.122 0.716 0.901 0.900 0.700 CA 1.714 23 residues pruned to eliminate duplicates Z: 23 31.369 2.049 0.552 0.862 0.909 0.636 CA 1.699 23 residues pruned to eliminate duplicates Z: 25 12.459 1.985 0.303 0.355 0.750 0.458 CB 1.534 Z: 18 38.033 2.316 0.688 0.901 1.000 0.588 CA 1.685 19 residues pruned to eliminate duplicates Z: 13 13.605 2.046 0.274 0.822 1.000 0.750 CB 1.140 13 residues pruned to eliminate duplicates Z: 15 6.794 1.897 0.045 0.367 0.786 0.286 CB 1.345 9 residues pruned to eliminate duplicates Z: 16 33.092 2.220 0.810 0.894 0.933 0.533 CA 1.634 16 residues pruned to eliminate duplicates Z: 20 22.915 1.981 0.585 0.848 1.000 0.579 CB 1.243 20 residues pruned to eliminate duplicates Z: 19 13.396 1.990 0.209 0.471 0.889 0.500 CA 1.521 Z: 18 20.703 2.144 0.142 0.879 1.000 0.824 CB 1.487 18 residues pruned to eliminate duplicates Z: 14 13.303 2.107 0.372 0.423 0.846 0.462 CA 1.633 12 residues pruned to eliminate duplicates Z: 13 21.742 1.954 0.660 0.823 1.000 0.833 CB 1.463 13 residues pruned to eliminate duplicates Z: 21 14.420 2.141 0.360 0.319 0.850 0.450 CB 1.592 21 residues pruned to eliminate duplicates Z: 9 11.967 1.936 0.682 0.570 1.000 0.750 CA 1.215 9 residues pruned to eliminate duplicates Z: 7 8.562 1.959 0.436 0.578 1.000 0.333 CA 1.153 7 residues pruned to eliminate duplicates Z: 17 18.456 2.069 0.354 0.862 1.000 0.812 CA 1.210 17 residues pruned to eliminate duplicates Z: 21 34.265 2.182 0.523 0.919 0.950 0.700 CB 1.710 21 residues pruned to eliminate duplicates Z: 22 38.562 2.119 0.660 0.901 1.000 0.619 CA 1.708 22 residues pruned to eliminate duplicates Z: 13 19.692 2.031 0.740 0.760 0.917 0.750 CB 1.393 13 residues pruned to eliminate duplicates Z: 26 14.881 2.005 0.337 0.468 0.880 0.600 CB 1.304 28 residues pruned to eliminate duplicates Z: 29 8.627 1.717 0.268 0.349 0.786 0.357 CA 1.123 29 residues pruned to eliminate duplicates Z: 21 36.995 2.237 0.720 0.876 0.950 0.450 CA 1.645 21 residues pruned to eliminate duplicates Z: 12 5.416 1.954 0.361 0.279 0.636 0.455 CB 1.238 12 residues pruned to eliminate duplicates Z: 23 35.780 2.063 0.713 0.916 0.909 0.591 CB 1.677 22 residues pruned to eliminate duplicates Z: 21 43.267 2.292 0.927 0.921 1.000 0.650 CA 1.542 21 residues pruned to eliminate duplicates Z: 9 3.018 1.708 0.714 0.491 0.625 0.250 CB 0.588 9 residues pruned to eliminate duplicates Z: 13 4.069 1.446 0.527 0.229 0.750 0.250 CB 0.973 Z: 20 30.849 2.132 0.527 0.906 0.947 0.684 CA 1.632 20 residues pruned to eliminate duplicates Z: 82 33.951 2.065 0.355 0.479 0.914 0.506 CB 1.507 78 residues pruned to eliminate duplicates Z: 42 26.015 2.042 0.518 0.454 0.902 0.561 CA 1.522 22 residues pruned to eliminate duplicates Z: 21 36.867 2.276 0.740 0.906 0.950 0.850 CA 1.558 21 residues pruned to eliminate duplicates Z: 13 17.050 2.001 0.378 0.827 0.833 0.333 CB 1.615 13 residues pruned to eliminate duplicates Z: 21 43.712 2.302 0.850 0.919 0.950 0.600 CA 1.703 21 residues pruned to eliminate duplicates Z: 19 28.734 2.026 0.694 0.878 0.889 0.444 CB 1.611 19 residues pruned to eliminate duplicates Z: 17 33.654 2.258 0.857 0.918 0.875 0.688 CA 1.617 17 residues pruned to eliminate duplicates Z: 10 19.923 2.021 0.705 0.911 0.889 0.889 CB 1.537 9 residues pruned to eliminate duplicates Z: 21 31.250 2.116 0.563 0.887 0.900 0.750 CA 1.692 21 residues pruned to eliminate duplicates Z: 32 14.928 1.896 0.638 0.308 0.742 0.484 CA 1.440 20 residues pruned to eliminate duplicates Z: 23 18.824 2.111 0.429 0.534 0.773 0.591 CB 1.665 10 residues pruned to eliminate duplicates Z: 18 22.531 2.058 0.587 0.907 1.000 0.765 CA 1.190 18 residues pruned to eliminate duplicates Z: 26 11.503 1.832 0.494 0.233 0.800 0.440 CB 1.435 14 residues pruned to eliminate duplicates Z: 22 12.676 1.951 0.477 0.346 0.905 0.429 CB 1.254 22 residues pruned to eliminate duplicates Z: 22 33.419 2.101 0.582 0.866 1.000 0.714 CA 1.606 22 residues pruned to eliminate duplicates Z: 9 3.356 1.617 0.197 0.512 1.000 0.500 CB 0.606 Z: 76 40.463 2.054 0.652 0.552 0.907 0.653 CA 1.444 75 residues pruned to eliminate duplicates Z: 16 15.706 2.177 -0.036 0.916 1.000 0.933 CB 1.365 16 residues pruned to eliminate duplicates Z: 20 35.857 2.132 0.997 0.864 1.000 0.526 CA 1.416 20 residues pruned to eliminate duplicates Z: 20 12.508 2.047 0.196 0.467 0.789 0.474 CA 1.535 19 residues pruned to eliminate duplicates Z: 21 46.986 2.309 0.877 0.920 1.000 0.550 CA 1.708 21 residues pruned to eliminate duplicates Z: 23 16.485 2.015 0.390 0.435 0.864 0.591 CB 1.554 23 residues pruned to eliminate duplicates Z: 10 4.709 2.055 0.471 0.347 0.556 0.333 CA 1.104 10 residues pruned to eliminate duplicates Z: 10 21.155 1.939 1.017 0.852 1.000 0.889 CB 1.334 14 residues pruned to eliminate duplicates Z: 20 29.058 2.194 0.548 0.888 0.947 0.789 CA 1.493 20 residues pruned to eliminate duplicates Z: 10 17.165 1.803 0.752 0.875 1.000 0.889 CA 1.318 9 residues pruned to eliminate duplicates Z: 11 15.704 2.214 0.506 0.808 1.000 0.500 CB 1.138 11 residues pruned to eliminate duplicates Z: 13 7.526 1.941 0.146 0.391 0.750 0.417 CA 1.462 9 residues pruned to eliminate duplicates Z: 10 12.308 1.925 0.217 0.844 0.889 0.667 CB 1.466 10 residues pruned to eliminate duplicates Z: 22 32.806 2.115 0.538 0.903 0.952 0.952 CB 1.646 22 residues pruned to eliminate duplicates Z: 19 11.633 1.898 0.450 0.377 0.944 0.444 CA 1.203 19 residues pruned to eliminate duplicates Z: 25 15.310 2.001 0.389 0.402 0.792 0.458 CA 1.575 25 residues pruned to eliminate duplicates Z: 13 9.274 2.079 0.264 0.361 0.750 0.333 CA 1.577 13 residues pruned to eliminate duplicates Z: 11 8.292 1.930 0.244 0.492 0.800 0.500 N 1.377 11 residues pruned to eliminate duplicates Z: 14 14.056 2.041 0.597 0.397 0.846 0.308 CA 1.576 14 residues pruned to eliminate duplicates Z: 9 8.542 1.772 0.568 0.499 0.750 0.500 CA 1.450 Z: 17 14.885 2.079 0.402 0.399 0.875 0.625 CB 1.623 17 residues pruned to eliminate duplicates Z: 22 36.189 2.067 0.811 0.905 0.905 0.619 CA 1.659 22 residues pruned to eliminate duplicates Z: 18 21.394 2.143 0.525 0.865 0.941 0.765 CB 1.235 18 residues pruned to eliminate duplicates Z: 15 28.069 2.199 0.967 0.878 0.786 0.357 CA 1.601 15 residues pruned to eliminate duplicates Z: 13 11.281 2.103 0.432 0.485 0.750 0.500 CB 1.464 13 residues pruned to eliminate duplicates Z: 24 14.982 2.037 0.512 0.381 0.870 0.435 CA 1.323 24 residues pruned to eliminate duplicates Z: 15 9.408 1.877 0.216 0.393 0.857 0.500 CA 1.439 13 residues pruned to eliminate duplicates Z: 6 2.178 1.747 -0.054 0.290 0.800 0.400 CB 0.933 Z: 21 26.718 1.982 0.586 0.905 1.000 0.850 CA 1.352 21 residues pruned to eliminate duplicates Z: 12 14.761 2.048 0.711 0.800 0.909 0.727 CB 1.075 12 residues pruned to eliminate duplicates Z: 39 23.138 1.995 0.536 0.507 0.895 0.658 CA 1.359 39 residues pruned to eliminate duplicates Z: 25 8.775 1.754 0.245 0.291 0.833 0.333 CB 1.244 25 residues pruned to eliminate duplicates Z: 9 6.645 1.882 0.404 0.345 0.750 0.250 CB 1.403 9 residues pruned to eliminate duplicates Z: 9 12.052 1.954 0.436 0.831 0.875 0.750 CB 1.305 9 residues pruned to eliminate duplicates Z: 17 21.861 2.005 0.685 0.827 0.938 0.625 CA 1.301 17 residues pruned to eliminate duplicates Z: 18 10.997 2.035 0.619 0.298 0.765 0.588 CB 1.327 18 residues pruned to eliminate duplicates Z: 18 21.659 2.055 0.491 0.889 0.941 0.588 CB 1.311 18 residues pruned to eliminate duplicates Z: 12 23.281 2.068 0.562 0.889 1.000 0.818 CA 1.563 12 residues pruned to eliminate duplicates Z: 8 13.143 2.056 0.344 0.833 0.857 0.714 O 1.574 8 residues pruned to eliminate duplicates Z: 7 2.326 1.519 -0.184 0.553 0.833 0.833 N 0.873 Z: 39 31.032 1.960 0.563 0.639 0.921 0.711 CA 1.566 39 residues pruned to eliminate duplicates Z: 21 47.718 2.323 0.887 0.913 1.000 0.650 CA 1.723 21 residues pruned to eliminate duplicates Z: 7 12.383 1.943 0.870 0.668 0.833 0.667 CA 1.431 7 residues pruned to eliminate duplicates Z: 12 20.607 2.084 0.641 0.859 0.909 0.545 CA 1.471 12 residues pruned to eliminate duplicates Z: 12 30.585 2.142 0.880 0.901 1.000 0.727 CA 1.634 12 residues pruned to eliminate duplicates Z: 13 33.493 2.188 0.942 0.863 1.000 0.417 CA 1.669 13 residues pruned to eliminate duplicates Z: 7 8.267 1.856 0.840 0.351 0.833 0.667 CA 1.393 17 residues pruned to eliminate duplicates Z: 62 47.464 2.203 0.687 0.587 0.951 0.475 CB 1.582 62 residues pruned to eliminate duplicates Z: 19 10.048 1.939 0.416 0.389 0.778 0.500 CB 1.248 19 residues pruned to eliminate duplicates Z: 21 9.820 1.900 0.601 0.334 0.700 0.500 CA 1.236 15 residues pruned to eliminate duplicates Z: 20 19.625 2.030 0.509 0.782 0.895 0.526 CB 1.282 20 residues pruned to eliminate duplicates Z: 32 42.071 2.244 0.895 0.675 0.968 0.516 CA 1.563 22 residues pruned to eliminate duplicates Z: 7 6.107 1.834 0.734 0.392 0.667 0.500 CB 1.318 Z: 22 11.763 1.971 0.336 0.475 0.810 0.619 CB 1.235 22 residues pruned to eliminate duplicates Z: 39 20.353 2.015 0.550 0.473 0.816 0.711 CA 1.332 39 residues pruned to eliminate duplicates Z: 11 6.143 1.793 0.262 0.437 0.800 0.600 CB 1.145 11 residues pruned to eliminate duplicates Z: 23 18.122 1.985 0.853 0.363 0.864 0.682 CA 1.409 23 residues pruned to eliminate duplicates Z: 62 52.009 2.272 0.727 0.596 0.951 0.492 CB 1.628 62 residues pruned to eliminate duplicates Z: 11 10.394 1.893 0.411 0.459 0.900 0.800 CA 1.427 11 residues pruned to eliminate duplicates Z: 10 5.868 1.658 -0.010 0.755 1.000 0.667 CB 0.950 Z: 13 9.450 1.867 0.349 0.345 1.000 0.667 CB 1.281 Z: 40 23.400 2.040 0.502 0.436 0.872 0.564 CB 1.499 39 residues pruned to eliminate duplicates Z: 25 15.877 2.068 0.394 0.453 0.833 0.583 CB 1.416 25 residues pruned to eliminate duplicates Z: 10 14.026 1.787 0.510 0.866 1.000 1.000 CA 1.268 10 residues pruned to eliminate duplicates Z: 7 3.412 1.832 0.474 0.458 0.667 0.500 CB 0.808 Z: 18 34.785 2.262 0.877 0.866 0.882 0.529 CA 1.648 18 residues pruned to eliminate duplicates Z: 19 21.748 1.881 0.685 0.883 0.944 0.500 CA 1.237 19 residues pruned to eliminate duplicates Z: 21 26.671 2.029 0.729 0.910 0.950 0.650 CB 1.269 21 residues pruned to eliminate duplicates Z: 11 8.618 1.821 0.191 0.533 1.000 0.600 CB 1.217 7 residues pruned to eliminate duplicates Z: 9 12.473 2.056 0.703 0.460 1.000 0.875 CB 1.311 Z: 22 18.375 2.056 0.283 0.636 0.905 0.667 CB 1.480 22 residues pruned to eliminate duplicates Z: 20 17.212 1.896 0.495 0.868 0.947 0.526 CA 1.075 20 residues pruned to eliminate duplicates Z: 17 9.652 1.859 0.240 0.421 0.875 0.375 CA 1.299 Z: 6 3.665 1.715 0.002 0.454 0.800 0.600 CB 1.250 6 residues pruned to eliminate duplicates Z: 17 7.288 1.832 0.354 0.252 0.750 0.500 CB 1.303 17 residues pruned to eliminate duplicates Z: 28 13.916 1.899 0.535 0.339 0.778 0.519 CA 1.407 26 residues pruned to eliminate duplicates Z: 13 10.112 2.072 0.306 0.518 0.833 0.750 CB 1.272 13 residues pruned to eliminate duplicates Z: 44 34.959 2.056 0.567 0.677 0.884 0.651 CA 1.590 44 residues pruned to eliminate duplicates Z: 46 41.875 2.179 0.613 0.666 1.000 0.689 CA 1.523 46 residues pruned to eliminate duplicates Z: 8 5.741 1.881 0.348 0.445 0.714 0.286 CB 1.267 8 residues pruned to eliminate duplicates Z: 7 5.122 1.858 0.194 0.660 0.667 0.500 CB 1.218 7 residues pruned to eliminate duplicates Z: 66 42.625 2.163 0.629 0.564 0.908 0.538 CB 1.555 66 residues pruned to eliminate duplicates Z: 15 15.062 2.000 0.493 0.548 0.857 0.571 CB 1.500 15 residues pruned to eliminate duplicates Z: 29 19.957 2.075 0.701 0.375 0.857 0.643 CA 1.423 29 residues pruned to eliminate duplicates Z: 6 5.441 1.449 0.154 0.817 1.000 0.800 O 1.104 8 residues pruned to eliminate duplicates Z: 10 15.222 1.940 0.485 0.876 1.000 1.000 CA 1.279 10 residues pruned to eliminate duplicates Z: 8 7.233 1.841 0.237 0.597 0.857 0.429 CA 1.277 8 residues pruned to eliminate duplicates Z: 8 12.878 2.069 0.611 0.807 0.714 0.429 N 1.565 8 residues pruned to eliminate duplicates Z: 7 8.106 1.780 0.029 0.804 1.000 0.833 O 1.385 Z: 32 15.062 2.053 0.498 0.364 0.774 0.484 CB 1.314 14 residues pruned to eliminate duplicates Z: 7 2.041 1.463 -0.025 0.325 0.667 0.500 N 1.063 Z: 18 28.936 2.140 0.940 0.876 0.824 0.529 CB 1.491 18 residues pruned to eliminate duplicates Z: 13 15.761 1.897 0.713 0.764 0.750 0.167 CB 1.477 13 residues pruned to eliminate duplicates Z: 27 16.288 2.038 0.560 0.405 0.885 0.577 CB 1.256 26 residues pruned to eliminate duplicates Z: 8 7.895 1.759 0.828 0.448 0.857 0.571 CA 1.143 8 residues pruned to eliminate duplicates Z: 22 17.902 1.983 0.700 0.447 0.905 0.714 CA 1.352 22 residues pruned to eliminate duplicates Z: 19 21.697 2.113 0.400 0.874 0.944 0.833 CB 1.332 19 residues pruned to eliminate duplicates Z: 12 7.606 1.745 0.433 0.428 0.909 0.455 CB 1.087 12 residues pruned to eliminate duplicates Z: 18 18.389 2.062 0.418 0.914 1.000 0.882 CA 1.079 18 residues pruned to eliminate duplicates Z: 9 3.327 1.713 -0.131 0.346 0.875 0.250 N 1.067 9 residues pruned to eliminate duplicates Z: 6 4.543 1.779 0.118 0.780 0.800 0.800 CA 0.997 Z: 13 13.877 2.046 0.261 0.608 0.917 0.583 N 1.528 18 residues pruned to eliminate duplicates Z: 42 31.302 2.119 0.653 0.520 0.854 0.463 CB 1.602 42 residues pruned to eliminate duplicates Z: 6 8.437 2.087 0.128 0.726 0.800 0.600 CB 1.634 6 residues pruned to eliminate duplicates Z: 13 29.912 2.125 0.912 0.892 1.000 0.583 CB 1.527 13 residues pruned to eliminate duplicates Z: 24 25.562 2.107 0.818 0.470 0.913 0.652 CA 1.571 23 residues pruned to eliminate duplicates Z: 30 13.639 2.065 0.600 0.351 0.793 0.517 CB 1.135 30 residues pruned to eliminate duplicates Z: 21 39.777 2.292 0.745 0.921 1.000 0.850 CA 1.564 21 residues pruned to eliminate duplicates Z: 15 19.771 1.862 0.383 0.907 1.000 0.929 O 1.459 15 residues pruned to eliminate duplicates Z: 20 21.353 2.037 0.333 0.865 1.000 0.632 CA 1.322 20 residues pruned to eliminate duplicates Z: 11 7.791 1.792 0.414 0.452 0.900 0.600 CB 1.135 10 residues pruned to eliminate duplicates Z: 9 3.791 1.846 -0.152 0.395 0.750 0.375 CB 1.276 Z: 6 9.108 1.928 0.455 0.735 0.800 0.600 CB 1.470 6 residues pruned to eliminate duplicates Z: 8 11.371 1.750 0.781 0.564 0.857 0.714 CA 1.512 9 residues pruned to eliminate duplicates Z: 18 13.228 1.924 0.777 0.404 0.824 0.588 CA 1.260 18 residues pruned to eliminate duplicates Z: 52 45.473 2.178 0.632 0.639 0.961 0.510 CA 1.636 52 residues pruned to eliminate duplicates Z: 9 18.103 2.018 0.900 0.891 0.875 0.750 CA 1.371 9 residues pruned to eliminate duplicates Z: 12 9.432 1.880 0.174 0.581 0.909 0.727 CB 1.312 12 residues pruned to eliminate duplicates Z: 15 9.353 1.996 0.336 0.463 0.857 0.643 CB 1.137 15 residues pruned to eliminate duplicates Z: 40 18.565 1.964 0.516 0.410 0.846 0.462 CA 1.296 40 residues pruned to eliminate duplicates Z: 31 36.058 2.167 0.816 0.695 0.900 0.600 CA 1.556 31 residues pruned to eliminate duplicates Z: 24 22.827 2.166 0.761 0.324 0.957 0.652 CA 1.582 24 residues pruned to eliminate duplicates Z: 23 17.849 2.123 0.807 0.331 0.864 0.591 CA 1.383 23 residues pruned to eliminate duplicates Z: 65 28.797 2.021 0.303 0.526 0.938 0.625 CB 1.421 65 residues pruned to eliminate duplicates Z: 74 46.277 2.189 0.616 0.509 0.945 0.534 CB 1.606 74 residues pruned to eliminate duplicates Z: 12 17.807 2.052 0.434 0.903 1.000 0.636 CA 1.300 12 residues pruned to eliminate duplicates Z: 17 12.132 2.090 0.723 0.515 0.750 0.562 CB 1.107 17 residues pruned to eliminate duplicates Z: 45 32.216 2.071 0.679 0.522 0.886 0.659 CA 1.543 42 residues pruned to eliminate duplicates Z: 25 19.879 2.005 0.633 0.461 0.833 0.542 CB 1.547 25 residues pruned to eliminate duplicates Z: 40 23.071 2.024 0.509 0.466 0.846 0.641 CA 1.479 40 residues pruned to eliminate duplicates Z: 7 4.389 1.862 -0.076 0.348 0.833 0.833 CA 1.474 Z: 7 3.527 1.813 0.129 0.369 0.833 0.333 CB 0.971 7 residues pruned to eliminate duplicates Z: 12 7.144 1.981 0.505 0.448 0.727 0.364 CB 1.047 Z: 54 45.669 2.199 0.737 0.636 0.906 0.585 CB 1.596 54 residues pruned to eliminate duplicates Z: 14 12.038 1.909 0.313 0.499 0.923 0.538 CB 1.444 15 residues pruned to eliminate duplicates Z: 14 9.941 1.938 0.384 0.499 0.846 0.462 CB 1.216 14 residues pruned to eliminate duplicates Z: 8 7.828 1.876 0.613 0.337 0.857 0.429 CB 1.363 8 residues pruned to eliminate duplicates Z: 9 5.597 1.552 0.239 0.431 0.875 0.375 CB 1.262 9 residues pruned to eliminate duplicates Z: 8 3.072 1.371 0.533 0.365 0.857 0.571 N 0.745 8 residues pruned to eliminate duplicates Z: 7 5.002 1.914 -0.093 0.635 1.000 0.833 CB 1.036 7 residues pruned to eliminate duplicates Z: 7 5.347 1.831 -0.072 0.771 0.833 0.500 CB 1.212 Z: 9 6.859 1.790 0.508 0.435 0.875 0.625 CB 1.098 9 residues pruned to eliminate duplicates Z: 20 35.901 2.179 0.825 0.876 1.000 0.684 CA 1.506 20 residues pruned to eliminate duplicates Z: 9 14.572 2.009 0.585 0.617 1.000 1.000 CB 1.449 9 residues pruned to eliminate duplicates Z: 7 3.455 1.217 0.499 0.400 1.000 0.833 CB 0.859 Z: 10 5.414 1.816 0.465 0.424 0.778 0.444 CB 0.944 10 residues pruned to eliminate duplicates Z: 21 22.078 1.882 0.832 0.886 0.950 0.700 CA 1.087 21 residues pruned to eliminate duplicates Z: 15 23.564 2.073 0.607 0.865 0.929 0.643 CB 1.492 15 residues pruned to eliminate duplicates Z: 18 15.915 2.031 0.188 0.588 0.882 0.588 CB 1.667 18 residues pruned to eliminate duplicates Z: 21 46.322 2.228 1.049 0.910 0.950 0.300 CB 1.694 21 residues pruned to eliminate duplicates Z: 54 36.685 2.182 0.575 0.563 0.868 0.491 CB 1.589 54 residues pruned to eliminate duplicates Z: 21 14.954 1.973 0.488 0.455 0.900 0.600 CA 1.325 22 residues pruned to eliminate duplicates Z: 11 6.936 1.724 0.488 0.327 0.900 0.600 CB 1.149 11 residues pruned to eliminate duplicates Z: 11 9.352 2.103 0.134 0.421 1.000 0.700 CB 1.346 11 residues pruned to eliminate duplicates Z: 20 11.108 1.964 0.445 0.465 0.842 0.632 CB 1.105 20 residues pruned to eliminate duplicates Z: 6 6.590 1.899 0.555 0.769 0.800 0.800 CB 0.983 6 residues pruned to eliminate duplicates Z: 6 5.455 1.914 0.412 0.755 0.800 0.800 CB 0.899 6 residues pruned to eliminate duplicates Z: 6 4.223 1.513 0.214 0.411 1.000 0.800 CB 1.128 6 residues pruned to eliminate duplicates Z: 12 24.187 2.072 0.609 0.908 1.000 0.727 CB 1.554 12 residues pruned to eliminate duplicates Z: 44 24.914 2.064 0.492 0.424 0.837 0.535 CA 1.596 44 residues pruned to eliminate duplicates Z: 13 8.625 1.647 0.600 0.439 0.917 0.583 CB 1.098 11 residues pruned to eliminate duplicates Z: 8 6.625 1.653 0.162 0.742 1.000 0.571 CB 1.050 Z: 15 8.147 2.003 0.017 0.388 0.786 0.500 CA 1.532 15 residues pruned to eliminate duplicates Z: 16 20.142 2.014 0.294 0.878 1.000 0.933 CA 1.448 16 residues pruned to eliminate duplicates Z: 6 3.656 1.199 0.560 0.659 1.000 0.600 CB 0.754 Z: 8 4.529 1.530 0.423 0.429 0.714 0.571 CB 1.184 8 residues pruned to eliminate duplicates Z: 7 7.632 1.598 0.538 0.633 1.000 0.833 CB 1.119 Z: 20 23.817 2.118 0.679 0.529 0.947 0.684 CA 1.576 20 residues pruned to eliminate duplicates Z: 52 36.468 2.085 0.532 0.640 1.000 0.647 CA 1.402 60 residues pruned to eliminate duplicates Z: 21 53.471 2.268 1.140 0.927 1.000 0.600 CA 1.727 21 residues pruned to eliminate duplicates Z: 9 9.922 1.926 0.165 0.898 1.000 1.000 CB 1.118 9 residues pruned to eliminate duplicates Z: 13 11.148 1.926 0.816 0.342 0.833 0.667 CB 1.312 12 residues pruned to eliminate duplicates Z: 24 16.315 2.046 0.589 0.430 0.870 0.522 CA 1.293 26 residues pruned to eliminate duplicates Z: 7 4.681 1.838 0.159 0.408 0.833 0.500 CB 1.185 7 residues pruned to eliminate duplicates Z: 12 6.711 1.959 0.046 0.453 0.727 0.455 CB 1.425 12 residues pruned to eliminate duplicates 7 1.752 1.508 0.641 0.367 0.500 0.333 CB 0.666 ? Z: 61 38.859 2.115 0.629 0.570 0.917 0.550 CA 1.485 64 residues pruned to eliminate duplicates Z: 6 7.124 1.863 0.161 0.729 1.000 0.600 CA 1.198 5 residues pruned to eliminate duplicates Z: 8 6.440 1.539 0.406 0.669 0.857 0.714 CA 1.123 6 residues pruned to eliminate duplicates Z: 6 2.113 1.836 0.024 0.542 0.800 0.600 CB 0.603 Z: 23 23.820 2.018 0.683 0.648 0.955 0.591 CB 1.364 23 residues pruned to eliminate duplicates Z: 6 4.962 1.860 0.241 0.780 1.000 1.000 CB 0.751 Z: 7 3.277 1.557 0.725 0.249 0.833 0.500 CB 0.799 Z: 17 17.573 1.874 0.699 0.854 0.812 0.500 CA 1.254 17 residues pruned to eliminate duplicates Z: 8 3.519 1.745 0.145 0.517 1.000 0.714 CB 0.655 Z: 21 27.551 2.077 0.655 0.726 0.950 0.700 CB 1.539 21 residues pruned to eliminate duplicates Z: 19 26.730 2.053 0.626 0.919 1.000 0.722 CB 1.330 19 residues pruned to eliminate duplicates Z: 36 21.894 1.890 0.587 0.516 0.914 0.486 CB 1.329 36 residues pruned to eliminate duplicates Z: 27 14.098 1.974 0.417 0.335 0.846 0.577 CA 1.399 22 residues pruned to eliminate duplicates Z: 21 14.058 1.967 0.346 0.544 0.800 0.700 CA 1.422 21 residues pruned to eliminate duplicates Z: 21 21.412 2.040 0.538 0.546 0.900 0.750 CA 1.621 19 residues pruned to eliminate duplicates Z: 28 16.161 1.914 0.373 0.405 0.889 0.444 CB 1.471 31 residues pruned to eliminate duplicates Z: 7 5.683 1.773 0.022 0.510 1.000 0.667 O 1.267 6 residues pruned to eliminate duplicates Z: 72 36.423 2.094 0.506 0.529 0.901 0.563 CB 1.477 72 residues pruned to eliminate duplicates Z: 28 14.656 2.052 0.640 0.308 0.778 0.407 CB 1.333 28 residues pruned to eliminate duplicates Z: 21 22.865 1.924 0.666 0.845 1.000 0.600 CB 1.186 21 residues pruned to eliminate duplicates Z: 30 32.848 2.026 0.563 0.748 0.897 0.690 CB 1.722 28 residues pruned to eliminate duplicates Z: 11 7.211 1.836 0.733 0.383 0.900 0.500 CB 0.902 10 residues pruned to eliminate duplicates Z: 8 3.844 1.581 -0.042 0.676 0.857 0.714 CB 0.952 8 residues pruned to eliminate duplicates Z: 11 17.114 2.258 0.763 0.807 1.000 0.500 CB 1.041 11 residues pruned to eliminate duplicates Z: 21 31.042 2.025 0.778 0.842 0.900 0.450 CA 1.596 21 residues pruned to eliminate duplicates Z: 26 15.775 2.055 0.464 0.437 0.840 0.360 CB 1.333 26 residues pruned to eliminate duplicates Z: 19 11.297 2.088 0.485 0.427 0.778 0.444 CB 1.191 19 residues pruned to eliminate duplicates Z: 15 5.936 1.690 0.186 0.381 0.786 0.643 CB 1.144 7 residues pruned to eliminate duplicates Z: 13 8.697 2.025 0.687 0.300 0.667 0.250 CA 1.378 17 residues pruned to eliminate duplicates Z: 15 16.312 2.090 0.668 0.449 1.000 0.643 CB 1.317 16 residues pruned to eliminate duplicates Z: 29 21.588 2.014 0.291 0.668 0.929 0.643 CB 1.446 29 residues pruned to eliminate duplicates Z: 22 27.385 2.183 0.624 0.769 0.952 0.810 CA 1.394 22 residues pruned to eliminate duplicates Z: 7 5.508 1.301 0.707 0.641 0.833 0.667 CA 1.065 6 residues pruned to eliminate duplicates Z: 19 19.385 1.996 0.428 0.887 0.944 0.556 CA 1.224 19 residues pruned to eliminate duplicates Z: 13 10.595 2.019 0.336 0.449 0.750 0.583 CB 1.593 13 residues pruned to eliminate duplicates Z: 20 23.157 2.053 0.415 0.872 0.947 0.789 CB 1.408 20 residues pruned to eliminate duplicates Z: 24 14.628 1.867 0.502 0.512 0.826 0.478 CA 1.301 24 residues pruned to eliminate duplicates Z: 12 25.326 2.049 1.024 0.882 1.000 0.909 CB 1.332 12 residues pruned to eliminate duplicates Z: 24 13.293 1.952 0.435 0.378 0.826 0.522 CB 1.364 36 residues pruned to eliminate duplicates Z: 27 16.396 2.048 0.467 0.417 0.885 0.462 CB 1.319 27 residues pruned to eliminate duplicates Z: 17 11.420 1.977 0.365 0.493 0.875 0.562 CB 1.217 17 residues pruned to eliminate duplicates Z: 19 18.963 2.012 0.592 0.822 0.889 0.611 CA 1.187 19 residues pruned to eliminate duplicates Z: 6 3.252 1.588 0.414 0.279 1.000 0.400 CB 0.831 Z: 12 8.566 1.737 0.215 0.589 0.909 0.727 CA 1.237 12 residues pruned to eliminate duplicates Z: 21 48.023 2.282 1.083 0.902 0.950 0.500 CA 1.696 21 residues pruned to eliminate duplicates Z: 10 2.460 1.593 0.022 0.278 0.667 0.444 O 0.971 10 residues pruned to eliminate duplicates Z: 15 8.371 1.839 0.273 0.348 0.786 0.357 CA 1.435 15 residues pruned to eliminate duplicates Z: 6 3.184 1.602 -0.139 0.511 1.000 0.600 CA 1.022 Z: 19 5.767 1.801 0.438 0.239 0.722 0.333 CB 0.983 19 residues pruned to eliminate duplicates Z: 23 18.256 1.923 0.433 0.715 0.955 0.727 CA 1.217 23 residues pruned to eliminate duplicates Z: 29 12.382 1.888 0.291 0.417 0.857 0.500 CB 1.221 26 residues pruned to eliminate duplicates Z: 13 16.010 1.887 0.501 0.576 1.000 0.750 CB 1.516 13 residues pruned to eliminate duplicates Z: 12 9.050 1.929 0.681 0.575 0.727 0.636 CB 1.076 12 residues pruned to eliminate duplicates Z: 12 7.188 1.622 0.780 0.390 0.727 0.273 CA 1.160 Z: 13 11.879 1.902 0.650 0.397 0.917 0.500 CB 1.329 13 residues pruned to eliminate duplicates Z: 20 14.988 1.925 0.461 0.445 0.947 0.526 CB 1.365 15 residues pruned to eliminate duplicates Z: 39 21.921 2.053 0.383 0.476 0.895 0.526 CA 1.434 39 residues pruned to eliminate duplicates Z: 6 4.316 1.486 0.054 0.578 1.000 0.800 CA 1.143 Z: 11 12.380 1.993 0.315 0.537 0.900 0.600 CB 1.600 11 residues pruned to eliminate duplicates 6 1.175 1.357 0.084 0.290 0.600 0.400 CB 0.754 ? 6 1.466 1.399 0.392 0.122 0.600 0.400 CB 0.902 ? Z: 9 3.801 1.463 -0.063 0.545 0.875 0.375 CB 1.073 9 residues pruned to eliminate duplicates Z: 10 5.877 1.900 0.174 0.425 0.778 0.667 CB 1.221 10 residues pruned to eliminate duplicates Z: 13 6.712 1.901 0.310 0.344 0.667 0.500 CA 1.383 13 residues pruned to eliminate duplicates Z: 18 26.700 2.173 0.667 0.855 1.000 0.588 CB 1.319 18 residues pruned to eliminate duplicates Z: 8 4.635 1.601 0.437 0.500 0.714 0.571 CB 1.066 Z: 28 14.365 2.002 0.426 0.433 0.889 0.519 CB 1.166 29 residues pruned to eliminate duplicates Z: 16 11.496 1.896 0.511 0.405 0.933 0.733 CA 1.226 16 residues pruned to eliminate duplicates Z: 20 10.945 1.865 0.507 0.487 0.789 0.632 CB 1.147 20 residues pruned to eliminate duplicates Z: 18 19.050 1.895 0.485 0.768 1.000 0.824 CA 1.294 18 residues pruned to eliminate duplicates Z: 12 8.739 1.879 0.540 0.310 0.909 0.636 CB 1.236 12 residues pruned to eliminate duplicates 7 1.476 1.287 -0.059 0.339 0.667 0.333 CB 0.889 ? Z: 8 5.918 1.602 0.766 0.427 0.857 0.429 CB 0.995 Z: 24 18.765 2.114 0.413 0.440 0.913 0.522 CB 1.526 26 residues pruned to eliminate duplicates Z: 107 52.767 2.139 0.623 0.531 0.906 0.547 CA 1.581 107 residues pruned to eliminate duplicates Z: 15 6.478 1.927 0.251 0.396 0.714 0.429 CA 1.122 15 residues pruned to eliminate duplicates Z: 10 6.252 1.680 0.537 0.445 0.667 0.444 CB 1.282 10 residues pruned to eliminate duplicates 6 1.717 1.401 0.646 0.464 0.400 0.400 O 0.863 ? Z: 7 4.975 1.595 0.604 0.458 0.833 0.667 CA 0.994 Z: 15 15.494 2.098 0.273 0.528 0.929 0.571 CA 1.624 15 residues pruned to eliminate duplicates Z: 8 2.892 1.394 0.451 0.327 0.857 0.429 CB 0.763 8 residues pruned to eliminate duplicates Z: 6 4.185 1.619 0.696 0.523 0.600 0.600 CB 1.111 6 residues pruned to eliminate duplicates Z: 6 3.752 1.535 0.285 0.475 0.800 0.600 CA 1.091 Z: 7 2.909 1.421 0.176 0.295 0.833 0.333 CB 1.072 Z: 8 2.319 1.427 -0.150 0.554 0.714 0.429 CB 0.960 Z: 8 3.353 1.575 0.296 0.214 0.714 0.286 N 1.218 8 residues pruned to eliminate duplicates Z: 12 8.179 1.895 0.455 0.360 0.818 0.364 CB 1.272 9 residues pruned to eliminate duplicates Z: 6 2.320 1.652 0.628 0.442 0.800 0.600 CB 0.512 Z: 15 6.087 1.718 0.195 0.372 0.714 0.571 CB 1.273 14 residues pruned to eliminate duplicates Z: 40 18.512 2.021 0.402 0.415 0.846 0.538 CA 1.351 40 residues pruned to eliminate duplicates Z: 13 6.931 1.817 0.528 0.311 0.750 0.500 CB 1.185 Z: 11 21.143 2.002 0.599 0.798 1.000 0.700 CA 1.610 11 residues pruned to eliminate duplicates Z: 14 8.669 1.982 0.333 0.425 0.846 0.615 CB 1.163 14 residues pruned to eliminate duplicates Z: 14 10.629 1.739 0.461 0.517 1.000 0.462 CA 1.141 14 residues pruned to eliminate duplicates Z: 6 2.728 1.378 0.243 0.299 0.800 0.600 CA 1.114 Z: 7 7.914 1.759 0.324 0.575 0.833 0.500 O 1.549 7 residues pruned to eliminate duplicates Z: 6 3.751 1.725 -0.130 0.674 0.800 0.800 CB 1.190 6 residues pruned to eliminate duplicates Z: 83 32.044 2.037 0.420 0.453 0.878 0.549 CB 1.462 83 residues pruned to eliminate duplicates Z: 9 7.426 1.485 0.487 0.845 1.000 0.750 CB 0.884 Z: 19 8.714 1.929 0.324 0.408 0.722 0.444 CB 1.227 19 residues pruned to eliminate duplicates Z: 52 44.712 2.153 0.753 0.600 0.980 0.412 CB 1.539 52 residues pruned to eliminate duplicates Z: 11 7.866 1.777 0.384 0.574 0.900 0.700 CB 1.046 11 residues pruned to eliminate duplicates Z: 28 15.275 1.997 0.366 0.381 0.889 0.593 CA 1.377 28 residues pruned to eliminate duplicates Z: 19 10.861 1.863 0.504 0.328 0.889 0.778 CA 1.241 19 residues pruned to eliminate duplicates Z: 6 3.673 1.429 0.412 0.346 1.000 0.600 CB 0.963 Z: 11 10.176 1.733 0.650 0.425 1.000 0.700 CB 1.216 12 residues pruned to eliminate duplicates 6 1.988 1.410 -0.064 0.272 0.800 0.400 O 1.092 ? Z: 12 10.244 1.827 0.241 0.509 0.909 0.545 C 1.484 12 residues pruned to eliminate duplicates 7 1.713 1.468 0.098 0.248 0.833 0.667 CB 0.696 ? Z: 9 6.306 1.448 0.505 0.376 1.000 0.500 CB 1.168 Z: 8 4.675 1.510 0.114 0.481 0.857 0.429 CB 1.249 8 residues pruned to eliminate duplicates Z: 19 12.435 1.985 0.709 0.437 0.778 0.611 CB 1.186 19 residues pruned to eliminate duplicates 6 1.898 1.439 0.372 0.425 0.600 0.600 CB 0.775 ? Z: 6 2.138 1.503 0.229 0.296 0.800 0.400 CA 0.812 Z: 6 4.496 1.875 0.335 0.630 0.800 0.600 CB 0.889 6 residues pruned to eliminate duplicates Z: 21 39.795 2.108 0.824 0.922 0.950 0.700 CA 1.713 24 residues pruned to eliminate duplicates Z: 8 8.139 1.772 0.419 0.408 1.000 0.714 O 1.347 8 residues pruned to eliminate duplicates Z: 14 8.752 1.885 0.526 0.285 0.846 0.538 CA 1.271 14 residues pruned to eliminate duplicates Z: 13 5.859 1.606 0.802 0.161 0.750 0.417 N 1.179 6 residues pruned to eliminate duplicates Z: 6 7.474 1.548 0.727 0.852 1.000 0.800 CB 0.925 Z: 12 8.586 1.944 0.574 0.316 0.727 0.364 CA 1.426 10 residues pruned to eliminate duplicates Z: 14 7.196 1.710 0.133 0.413 0.923 0.385 CA 1.221 14 residues pruned to eliminate duplicates Z: 26 10.638 1.912 0.235 0.320 0.800 0.520 CB 1.374 26 residues pruned to eliminate duplicates Z: 6 3.018 1.463 0.165 0.595 0.800 0.600 N 0.904 Z: 10 11.833 1.847 0.216 0.874 1.000 0.778 CA 1.278 10 residues pruned to eliminate duplicates Z: 9 6.136 1.707 0.928 0.345 0.750 0.500 CA 1.040 8 residues pruned to eliminate duplicates Z: 15 16.501 2.034 0.211 0.644 0.929 0.857 CA 1.686 15 residues pruned to eliminate duplicates Z: 13 21.114 2.053 0.300 0.890 1.000 0.417 CA 1.643 13 residues pruned to eliminate duplicates Z: 7 5.423 1.652 0.381 0.563 0.833 0.833 CA 1.096 7 residues pruned to eliminate duplicates Z: 6 2.090 1.702 0.687 0.123 0.600 0.200 C 0.871 Z: 6 5.190 1.545 0.616 0.669 1.000 0.600 N 0.796 Z: 6 3.044 1.426 0.656 0.569 0.600 0.400 O 0.899 6 residues pruned to eliminate duplicates Z: 27 15.161 1.908 0.572 0.431 0.846 0.462 CA 1.258 27 residues pruned to eliminate duplicates Z: 9 11.335 2.194 0.532 0.401 0.750 0.500 CA 1.765 9 residues pruned to eliminate duplicates Z: 21 12.069 1.945 0.360 0.468 0.800 0.650 CA 1.317 21 residues pruned to eliminate duplicates Z: 10 3.334 1.479 0.266 0.299 0.667 0.556 N 1.114 Z: 11 8.011 1.888 0.415 0.410 0.800 0.600 CA 1.302 11 residues pruned to eliminate duplicates Z: 7 3.188 1.509 -0.261 0.804 1.000 1.000 CB 0.895 7 residues pruned to eliminate duplicates Z: 12 5.091 1.476 0.483 0.236 0.818 0.455 CA 1.164 Z: 14 13.708 1.988 0.689 0.429 0.923 0.615 CA 1.321 10 residues pruned to eliminate duplicates Z: 45 43.023 2.132 0.633 0.689 0.977 0.841 CA 1.603 45 residues pruned to eliminate duplicates Z: 6 5.983 1.377 1.032 0.656 1.000 1.000 CB 0.827 Z: 10 4.495 1.336 0.148 0.450 1.000 0.444 CB 1.028 Z: 8 4.428 1.587 0.331 0.263 0.857 0.571 CB 1.211 8 residues pruned to eliminate duplicates Z: 10 8.504 1.632 0.594 0.557 0.778 0.556 N 1.324 10 residues pruned to eliminate duplicates Z: 21 38.760 2.272 0.762 0.938 0.950 0.650 CA 1.584 21 residues pruned to eliminate duplicates Z: 9 5.874 1.905 0.238 0.369 0.875 0.625 CA 1.158 9 residues pruned to eliminate duplicates Z: 8 3.266 1.535 0.297 0.652 0.571 0.429 CB 0.942 Z: 24 10.907 1.870 0.288 0.321 0.826 0.565 CA 1.393 24 residues pruned to eliminate duplicates Z: 17 9.715 1.761 0.436 0.408 0.812 0.438 CB 1.302 17 residues pruned to eliminate duplicates Z: 8 2.824 1.621 0.194 0.474 0.714 0.429 CB 0.793 Z: 20 20.043 1.971 0.630 0.747 0.947 0.632 CA 1.212 20 residues pruned to eliminate duplicates Z: 8 3.876 1.786 -0.156 0.342 0.857 0.429 CB 1.346 8 residues pruned to eliminate duplicates Z: 6 2.999 1.883 0.246 0.405 0.800 0.400 CA 0.790 6 residues pruned to eliminate duplicates Z: 18 24.007 2.158 0.398 0.859 1.000 0.588 CB 1.421 18 residues pruned to eliminate duplicates Z: 10 4.728 1.389 0.422 0.594 0.889 0.667 CB 0.821 Z: 14 15.305 1.954 0.595 0.551 0.923 0.692 CB 1.404 14 residues pruned to eliminate duplicates Z: 10 12.766 1.851 0.468 0.639 1.000 0.889 CB 1.375 13 residues pruned to eliminate duplicates Z: 6 9.828 1.609 0.728 0.804 1.000 0.800 N 1.213 Z: 7 5.134 1.859 -0.134 0.537 1.000 0.333 CB 1.254 Z: 6 3.047 1.312 0.631 0.432 0.800 0.400 O 0.854 Z: 12 5.366 1.797 0.193 0.461 0.636 0.273 CA 1.235 12 residues pruned to eliminate duplicates Z: 7 4.999 1.678 0.308 0.402 0.833 0.667 C 1.238 7 residues pruned to eliminate duplicates Z: 6 4.213 1.340 0.633 0.831 0.800 0.800 C 0.809 6 residues pruned to eliminate duplicates Z: 6 2.289 1.556 0.023 0.571 0.800 0.800 CB 0.750 Z: 7 4.143 1.538 0.456 0.386 0.667 0.500 C 1.279 Z: 14 11.266 1.863 0.488 0.349 1.000 0.615 CA 1.327 14 residues pruned to eliminate duplicates 6 1.361 1.304 0.234 0.399 0.800 0.400 CA 0.526 ? Z: 11 13.574 1.916 0.436 0.525 1.000 0.500 CA 1.522 14 residues pruned to eliminate duplicates Z: 7 5.089 1.522 0.209 0.513 1.000 0.500 CA 1.114 Z: 6 4.544 1.610 0.393 0.560 0.800 0.400 O 1.068 Z: 15 4.477 1.520 0.109 0.404 0.929 0.429 CB 0.845 15 residues pruned to eliminate duplicates Z: 29 12.960 1.940 0.396 0.370 0.786 0.500 CA 1.323 29 residues pruned to eliminate duplicates Z: 7 2.748 1.729 0.232 0.301 0.500 0.500 N 1.314 Z: 49 25.525 2.072 0.365 0.453 0.896 0.562 CA 1.525 49 residues pruned to eliminate duplicates Z: 32 9.691 1.813 0.234 0.315 0.774 0.452 CB 1.233 32 residues pruned to eliminate duplicates Z: 42 26.856 2.091 0.371 0.469 0.951 0.561 CB 1.589 42 residues pruned to eliminate duplicates Z: 73 50.559 2.186 0.757 0.531 0.944 0.486 CB 1.592 73 residues pruned to eliminate duplicates 6 1.179 1.199 0.756 0.295 0.800 0.600 CB 0.394 ? Z: 10 4.045 1.777 0.210 0.216 0.778 0.556 CA 1.125 10 residues pruned to eliminate duplicates Z: 12 17.134 1.800 0.635 0.889 1.000 0.909 CA 1.265 11 residues pruned to eliminate duplicates Z: 16 10.532 1.902 0.329 0.423 0.867 0.467 CB 1.345 12 residues pruned to eliminate duplicates Z: 16 11.605 1.947 0.428 0.432 0.933 0.667 CB 1.238 16 residues pruned to eliminate duplicates Z: 16 23.386 2.169 0.551 0.833 0.800 0.467 CA 1.684 16 residues pruned to eliminate duplicates Z: 42 17.616 1.907 0.514 0.376 0.878 0.537 CA 1.240 42 residues pruned to eliminate duplicates Z: 47 22.698 1.973 0.522 0.432 0.848 0.587 CB 1.410 45 residues pruned to eliminate duplicates Z: 7 3.551 1.561 1.117 0.349 0.667 0.333 N 0.775 Z: 6 2.182 1.246 0.013 0.571 1.000 0.600 N 0.722 Z: 6 3.006 1.443 0.614 0.553 0.800 0.400 CB 0.685 Z: 11 9.183 2.087 0.262 0.441 1.000 0.700 CB 1.171 11 residues pruned to eliminate duplicates 7 1.724 1.142 0.135 0.356 0.833 0.667 C 0.761 ? Z: 6 6.001 1.587 0.322 0.577 1.000 0.800 C 1.189 Z: 14 5.851 1.860 0.079 0.268 0.769 0.462 CB 1.369 14 residues pruned to eliminate duplicates Z: 16 27.052 2.175 0.834 0.916 1.000 0.533 CB 1.237 16 residues pruned to eliminate duplicates Z: 7 2.221 1.275 0.263 0.246 0.833 0.667 CA 0.906 Z: 8 7.790 1.842 0.597 0.683 0.857 0.857 CB 0.988 8 residues pruned to eliminate duplicates Z: 6 6.114 1.263 0.852 0.808 1.000 1.000 CA 0.893 Z: 14 23.477 2.134 0.851 0.834 0.923 0.769 CB 1.339 14 residues pruned to eliminate duplicates Z: 13 8.771 1.748 0.409 0.337 0.917 0.667 CB 1.339 13 residues pruned to eliminate duplicates Z: 12 15.791 1.854 0.651 0.787 0.818 0.545 CB 1.477 12 residues pruned to eliminate duplicates Z: 6 5.361 1.732 0.222 0.462 0.800 0.800 N 1.471 6 residues pruned to eliminate duplicates Z: 9 8.337 1.937 0.392 0.458 0.875 0.500 CB 1.303 9 residues pruned to eliminate duplicates Z: 44 20.567 1.952 0.493 0.390 0.884 0.581 CA 1.369 44 residues pruned to eliminate duplicates Z: 14 10.948 2.002 0.548 0.370 0.923 0.538 CB 1.220 14 residues pruned to eliminate duplicates Z: 18 9.510 1.826 0.605 0.363 0.765 0.529 CB 1.192 18 residues pruned to eliminate duplicates Z: 12 9.149 1.724 0.249 0.564 0.909 0.545 CA 1.325 12 residues pruned to eliminate duplicates Z: 8 2.642 1.283 0.351 0.323 0.714 0.429 N 0.980 Z: 8 5.787 1.667 0.340 0.506 0.857 0.571 CB 1.135 8 residues pruned to eliminate duplicates Z: 6 3.626 1.413 0.285 0.661 0.800 0.600 CA 0.961 Z: 7 8.508 1.816 0.297 0.721 0.833 0.833 CA 1.449 8 residues pruned to eliminate duplicates Z: 14 19.737 2.068 0.636 0.633 1.000 0.692 CB 1.429 14 residues pruned to eliminate duplicates Z: 10 3.301 1.312 0.589 0.484 0.778 0.667 CB 0.689 Z: 23 11.702 1.899 0.437 0.446 0.818 0.500 CB 1.182 23 residues pruned to eliminate duplicates Z: 11 25.431 2.070 0.888 0.905 1.000 0.800 CA 1.465 11 residues pruned to eliminate duplicates Z: 6 3.752 1.424 0.277 0.416 1.000 0.400 N 1.008 Z: 18 10.228 1.874 0.557 0.298 0.765 0.176 CA 1.394 18 residues pruned to eliminate duplicates 7 1.996 1.799 0.020 0.245 0.500 0.333 N 1.192 ? Z: 8 2.487 1.447 0.595 0.118 0.714 0.286 N 0.923 Z: 6 4.375 1.319 0.902 0.684 0.800 0.600 CB 0.823 Z: 8 2.886 1.381 0.276 0.351 0.857 0.429 CB 0.849 4 residues pruned to eliminate duplicates Z: 6 4.943 1.674 0.138 0.734 1.000 0.800 N 0.940 Z: 8 2.607 1.835 0.252 0.071 0.714 0.429 CB 1.051 8 residues pruned to eliminate duplicates Z: 41 23.475 2.052 0.155 0.598 0.900 0.675 CB 1.586 41 residues pruned to eliminate duplicates Z: 6 2.788 1.211 0.772 0.507 1.000 0.600 CB 0.577 Z: 6 2.564 1.336 0.070 0.558 0.800 0.600 CB 0.948 Z: 45 30.776 1.984 0.556 0.660 0.932 0.591 CA 1.391 45 residues pruned to eliminate duplicates Z: 7 3.538 1.645 0.014 0.423 0.833 0.500 N 1.126 7 residues pruned to eliminate duplicates Z: 10 3.800 1.531 -0.012 0.400 0.889 0.556 CA 1.047 10 residues pruned to eliminate duplicates Z: 6 2.998 1.465 -0.078 0.394 1.000 0.600 CB 1.110 Z: 6 2.715 1.170 0.130 0.448 1.000 1.000 O 0.969 Z: 7 4.474 1.448 0.532 0.556 0.833 0.667 O 0.936 Z: 8 2.955 1.365 0.165 0.366 0.857 0.571 N 0.947 Z: 11 4.660 1.390 0.289 0.442 0.900 0.400 CB 0.970 11 residues pruned to eliminate duplicates Z: 38 24.154 2.064 0.599 0.486 0.865 0.595 CA 1.410 38 residues pruned to eliminate duplicates Z: 6 2.384 1.227 0.654 0.389 0.800 0.600 CA 0.739 6 residues pruned to eliminate duplicates Z: 9 3.229 1.501 0.200 0.289 0.750 0.250 CB 1.071 Z: 6 3.690 1.642 0.028 0.312 1.000 0.600 CB 1.204 6 residues pruned to eliminate duplicates Z: 6 2.650 1.347 0.680 0.481 0.800 0.400 C 0.667 Z: 27 20.581 1.907 0.644 0.401 0.923 0.538 CA 1.549 27 residues pruned to eliminate duplicates 6 1.674 1.240 -0.106 0.338 0.800 0.600 CB 1.007 ? 7 1.487 0.806 0.636 0.505 0.833 0.333 O 0.550 ? Z: 7 5.764 1.837 0.235 0.353 0.833 0.167 CA 1.459 7 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 6.329 1.687 0.579 0.362 0.857 0.429 CB 1.216 6 residues pruned to eliminate duplicates Z: 6 3.752 1.884 0.157 0.436 0.800 0.800 CB 1.028 6 residues pruned to eliminate duplicates Z: 11 10.524 1.825 0.611 0.472 0.900 0.700 CB 1.293 12 residues pruned to eliminate duplicates Z: 6 3.651 1.722 -0.088 0.464 0.800 0.200 O 1.349 6 residues pruned to eliminate duplicates Z: 12 7.534 1.806 0.415 0.421 0.818 0.545 CB 1.179 14 residues pruned to eliminate duplicates Z: 8 7.935 1.662 0.497 0.519 0.857 0.429 CA 1.380 Z: 7 4.548 1.719 0.214 0.255 0.833 0.333 CA 1.413 12 residues pruned to eliminate duplicates Z: 6 4.980 1.696 0.704 0.287 1.000 0.200 CA 0.979 6 residues pruned to eliminate duplicates Z: 14 8.330 1.882 0.379 0.307 0.769 0.308 CA 1.433 14 residues pruned to eliminate duplicates Z: 11 9.713 1.907 0.407 0.432 0.800 0.300 N 1.535 11 residues pruned to eliminate duplicates Z: 14 9.007 1.871 0.214 0.445 0.769 0.462 CA 1.513 14 residues pruned to eliminate duplicates Z: 14 11.155 2.007 0.316 0.391 0.846 0.308 CA 1.553 14 residues pruned to eliminate duplicates Z: 6 3.975 1.630 0.068 0.556 0.800 0.400 CA 1.208 Z: 10 4.441 1.589 0.143 0.465 0.667 0.333 O 1.267 7 residues pruned to eliminate duplicates Z: 6 6.197 1.615 0.257 0.544 1.000 0.200 N 1.308 6 residues pruned to eliminate duplicates Z: 7 5.056 1.693 0.020 0.558 0.833 0.500 O 1.356 8 residues pruned to eliminate duplicates Z: 7 7.311 1.663 0.438 0.581 0.833 0.000 N 1.385 7 residues pruned to eliminate duplicates Z: 8 8.958 1.822 0.334 0.457 1.000 0.714 CB 1.456 8 residues pruned to eliminate duplicates Z: 9 5.944 1.780 -0.088 0.468 0.875 0.250 CB 1.530 10 residues pruned to eliminate duplicates Z: 6 7.359 1.856 0.497 0.653 0.800 0.200 CA 1.284 6 residues pruned to eliminate duplicates Z: 11 6.920 1.737 0.210 0.502 0.900 0.400 CB 1.154 14 residues pruned to eliminate duplicates Z: 6 8.662 1.947 0.109 0.654 1.000 0.800 CB 1.555 9 residues pruned to eliminate duplicates Z: 7 13.892 2.096 0.467 0.699 1.000 0.500 CA 1.537 8 residues pruned to eliminate duplicates Z: 8 8.500 1.860 0.216 0.729 0.857 0.286 CA 1.349 8 residues pruned to eliminate duplicates Z: 11 10.797 1.842 0.271 0.496 1.000 0.500 CB 1.464 7 residues pruned to eliminate duplicates Z: 7 11.520 2.024 0.238 0.660 1.000 0.333 CA 1.619 7 residues pruned to eliminate duplicates Z: 8 14.227 2.042 0.328 0.701 1.000 0.857 N 1.651 8 residues pruned to eliminate duplicates Z: 7 9.097 1.977 0.363 0.538 0.833 0.333 N 1.593 7 residues pruned to eliminate duplicates Z: 11 5.282 1.820 0.459 0.411 0.500 0.400 CA 1.381 11 residues pruned to eliminate duplicates Z: 11 10.165 1.817 0.394 0.546 0.900 0.700 CB 1.347 11 residues pruned to eliminate duplicates Z: 6 3.256 2.012 -0.316 0.504 0.800 0.600 CB 1.317 6 residues pruned to eliminate duplicates Z: 8 6.323 1.785 0.294 0.442 0.857 0.571 CB 1.281 8 residues pruned to eliminate duplicates Z: 11 11.455 1.849 0.320 0.590 1.000 0.400 CB 1.362 11 residues pruned to eliminate duplicates Z: 10 5.883 1.829 0.024 0.431 1.000 0.333 CB 1.125 10 residues pruned to eliminate duplicates Z: 12 7.883 1.758 0.355 0.497 0.818 0.455 CB 1.224 12 residues pruned to eliminate duplicates Z: 12 8.859 1.764 0.184 0.566 0.909 0.545 CA 1.319 12 residues pruned to eliminate duplicates Z: 27 14.269 1.999 0.406 0.431 0.846 0.615 CA 1.264 27 residues pruned to eliminate duplicates Z: 28 13.300 1.938 0.399 0.352 0.852 0.444 CA 1.301 28 residues pruned to eliminate duplicates Z: 26 15.416 2.062 0.389 0.421 0.880 0.600 CA 1.328 26 residues pruned to eliminate duplicates Z: 27 15.121 2.038 0.440 0.385 0.885 0.577 CA 1.290 27 residues pruned to eliminate duplicates Z: 7 7.138 1.672 0.506 0.419 1.000 0.500 CA 1.259 7 residues pruned to eliminate duplicates Z: 30 15.247 1.973 0.515 0.381 0.828 0.379 CB 1.299 28 residues pruned to eliminate duplicates Z: 24 17.496 2.026 0.492 0.481 0.913 0.522 CA 1.347 25 residues pruned to eliminate duplicates Z: 26 16.364 2.066 0.596 0.407 0.800 0.480 CA 1.367 26 residues pruned to eliminate duplicates Z: 14 13.575 2.035 0.708 0.398 0.846 0.692 CB 1.426 13 residues pruned to eliminate duplicates Z: 26 18.117 2.077 0.546 0.399 0.920 0.560 CA 1.364 30 residues pruned to eliminate duplicates Z: 6 2.119 1.650 0.451 0.265 0.800 0.200 CA 0.647 6 residues pruned to eliminate duplicates Z: 26 17.914 2.070 0.570 0.397 0.920 0.520 CA 1.335 26 residues pruned to eliminate duplicates Z: 7 9.462 1.664 0.805 0.532 1.000 0.500 CA 1.246 7 residues pruned to eliminate duplicates Z: 19 14.315 2.011 0.379 0.388 0.944 0.556 CA 1.451 19 residues pruned to eliminate duplicates Z: 38 26.351 2.057 0.486 0.479 0.946 0.595 CA 1.530 38 residues pruned to eliminate duplicates Z: 40 21.660 2.026 0.441 0.433 0.897 0.487 CA 1.418 40 residues pruned to eliminate duplicates Z: 39 24.817 2.079 0.530 0.461 0.921 0.605 CA 1.430 39 residues pruned to eliminate duplicates Z: 39 25.162 2.066 0.531 0.457 0.947 0.553 CA 1.423 39 residues pruned to eliminate duplicates Z: 39 25.224 2.069 0.446 0.484 0.947 0.684 CA 1.467 39 residues pruned to eliminate duplicates Z: 40 21.398 2.032 0.472 0.419 0.872 0.590 CA 1.429 40 residues pruned to eliminate duplicates Z: 29 17.615 2.007 0.468 0.385 0.893 0.607 CA 1.429 29 residues pruned to eliminate duplicates Z: 19 13.081 2.031 0.273 0.361 0.944 0.389 CA 1.468 19 residues pruned to eliminate duplicates Z: 39 20.447 2.067 0.422 0.436 0.842 0.526 CA 1.432 39 residues pruned to eliminate duplicates Z: 39 25.802 2.065 0.518 0.486 0.947 0.658 CA 1.429 39 residues pruned to eliminate duplicates Z: 39 21.111 2.052 0.482 0.446 0.895 0.526 CA 1.331 39 residues pruned to eliminate duplicates Z: 30 16.693 1.965 0.334 0.415 0.931 0.621 CA 1.389 30 residues pruned to eliminate duplicates Z: 41 26.125 2.049 0.547 0.456 0.900 0.600 CA 1.513 48 residues pruned to eliminate duplicates Z: 6 3.410 1.602 -0.006 0.462 1.000 0.600 CA 0.995 6 residues pruned to eliminate duplicates Z: 40 24.463 2.069 0.530 0.472 0.897 0.615 CA 1.418 40 residues pruned to eliminate duplicates Z: 39 24.741 2.066 0.431 0.466 0.921 0.526 CA 1.526 43 residues pruned to eliminate duplicates 6 1.913 1.545 0.142 0.230 0.800 0.400 CA 0.830 ? Z: 7 5.706 1.424 0.649 0.566 1.000 0.833 CA 0.931 Z: 6 5.120 1.694 0.325 0.333 1.000 0.200 CB 1.224 6 residues pruned to eliminate duplicates Z: 39 24.083 2.066 0.476 0.480 0.895 0.474 CA 1.461 39 residues pruned to eliminate duplicates Z: 40 25.975 2.044 0.509 0.510 0.923 0.641 CA 1.447 40 residues pruned to eliminate duplicates Z: 39 24.194 2.093 0.516 0.489 0.868 0.684 CA 1.440 39 residues pruned to eliminate duplicates Z: 39 25.631 2.064 0.504 0.501 0.921 0.632 CA 1.453 39 residues pruned to eliminate duplicates Z: 32 16.699 1.847 0.521 0.451 0.839 0.581 CA 1.339 37 residues pruned to eliminate duplicates Z: 8 5.612 1.667 0.575 0.570 0.714 0.571 CA 1.057 Z: 9 6.533 1.842 0.628 0.299 0.750 0.250 CA 1.285 17 residues pruned to eliminate duplicates Z: 7 4.610 1.311 0.744 0.587 0.833 0.167 CA 0.909 7 residues pruned to eliminate duplicates Z: 8 5.919 1.781 0.858 0.290 0.714 0.143 CB 1.197 9 residues pruned to eliminate duplicates Z: 8 7.242 1.709 0.956 0.502 0.857 0.286 CA 0.953 8 residues pruned to eliminate duplicates Z: 6 6.219 1.741 0.395 0.440 1.000 0.400 CA 1.218 6 residues pruned to eliminate duplicates Z: 11 9.179 2.042 0.673 0.286 0.700 0.200 CB 1.546 11 residues pruned to eliminate duplicates Z: 15 7.715 1.958 0.452 0.308 0.714 0.357 CB 1.256 15 residues pruned to eliminate duplicates Z: 12 6.421 1.800 0.421 0.244 0.818 0.364 CA 1.243 12 residues pruned to eliminate duplicates Z: 29 14.324 2.012 0.497 0.348 0.821 0.571 CB 1.290 29 residues pruned to eliminate duplicates Z: 10 6.921 1.640 0.531 0.402 0.889 0.333 N 1.145 10 residues pruned to eliminate duplicates Z: 22 12.810 2.058 0.588 0.283 0.810 0.524 CB 1.349 22 residues pruned to eliminate duplicates Z: 25 13.610 1.988 0.506 0.431 0.792 0.583 CB 1.259 25 residues pruned to eliminate duplicates Z: 25 13.656 1.959 0.653 0.385 0.750 0.542 CB 1.297 25 residues pruned to eliminate duplicates Z: 23 11.847 2.056 0.587 0.374 0.773 0.591 CB 1.146 23 residues pruned to eliminate duplicates Z: 12 14.141 2.045 0.570 0.501 0.909 0.455 CB 1.459 12 residues pruned to eliminate duplicates Z: 24 14.185 2.023 0.521 0.383 0.826 0.522 CB 1.318 24 residues pruned to eliminate duplicates Z: 17 10.259 1.880 0.397 0.398 0.812 0.625 CB 1.339 17 residues pruned to eliminate duplicates Z: 27 13.916 1.986 0.406 0.400 0.808 0.423 CB 1.344 27 residues pruned to eliminate duplicates Z: 22 16.598 1.973 0.712 0.334 0.952 0.524 CB 1.350 22 residues pruned to eliminate duplicates Z: 29 14.583 2.011 0.450 0.401 0.821 0.500 CB 1.277 29 residues pruned to eliminate duplicates Z: 6 4.397 1.458 0.346 0.420 1.000 0.400 O 1.089 6 residues pruned to eliminate duplicates Z: 15 12.344 2.024 0.630 0.448 0.786 0.429 CB 1.342 15 residues pruned to eliminate duplicates Z: 16 9.058 2.026 0.429 0.303 0.733 0.467 CB 1.372 16 residues pruned to eliminate duplicates Z: 16 11.467 2.112 0.377 0.368 0.800 0.467 CB 1.466 16 residues pruned to eliminate duplicates Z: 13 5.941 2.047 0.381 0.334 0.583 0.333 CB 1.247 13 residues pruned to eliminate duplicates Z: 17 14.357 2.112 0.601 0.441 0.812 0.562 CA 1.388 17 residues pruned to eliminate duplicates Z: 27 15.034 2.070 0.353 0.390 0.846 0.538 CA 1.397 27 residues pruned to eliminate duplicates Z: 20 11.525 2.035 0.418 0.373 0.789 0.526 CB 1.330 20 residues pruned to eliminate duplicates Z: 19 8.363 1.956 0.138 0.265 0.778 0.444 CA 1.488 19 residues pruned to eliminate duplicates Z: 38 17.238 2.059 0.410 0.356 0.811 0.405 CB 1.407 38 residues pruned to eliminate duplicates Z: 29 15.692 2.002 0.406 0.353 0.857 0.536 CA 1.441 29 residues pruned to eliminate duplicates Z: 42 15.134 2.006 0.303 0.340 0.780 0.537 CA 1.379 42 residues pruned to eliminate duplicates Z: 30 13.597 1.973 0.444 0.320 0.793 0.483 CA 1.363 30 residues pruned to eliminate duplicates Z: 10 9.874 2.166 0.280 0.412 0.889 0.667 CA 1.465 10 residues pruned to eliminate duplicates Z: 36 11.171 1.949 0.246 0.296 0.743 0.371 CB 1.315 30 residues pruned to eliminate duplicates Z: 6 2.580 1.271 0.661 0.351 0.800 0.400 CA 0.803 6 residues pruned to eliminate duplicates Z: 18 9.477 2.043 0.301 0.319 0.824 0.471 CB 1.283 18 residues pruned to eliminate duplicates Z: 48 20.433 1.986 0.490 0.378 0.872 0.426 CB 1.315 96 residues pruned to eliminate duplicates Z: 6 3.229 1.370 0.380 0.435 0.800 0.400 CB 1.022 Z: 11 7.980 1.768 0.462 0.647 0.900 0.500 CB 0.945 11 residues pruned to eliminate duplicates Z: 11 6.242 1.680 0.445 0.638 0.900 0.500 CB 0.794 11 residues pruned to eliminate duplicates Z: 11 4.819 1.732 0.288 0.377 1.000 0.500 CA 0.779 11 residues pruned to eliminate duplicates Z: 13 6.050 1.800 0.297 0.331 0.917 0.500 CB 0.982 13 residues pruned to eliminate duplicates Z: 17 8.388 1.757 0.364 0.494 0.875 0.375 CB 1.006 17 residues pruned to eliminate duplicates Z: 11 7.552 1.822 0.291 0.470 0.900 0.400 CA 1.163 11 residues pruned to eliminate duplicates Z: 17 9.196 1.771 0.201 0.512 1.000 0.562 CB 1.068 18 residues pruned to eliminate duplicates Z: 6 7.399 1.869 0.777 0.651 1.000 0.600 CA 0.866 6 residues pruned to eliminate duplicates Z: 15 10.056 1.831 0.296 0.531 0.929 0.429 CB 1.183 15 residues pruned to eliminate duplicates Z: 17 8.737 1.781 0.417 0.494 0.875 0.562 CB 0.995 17 residues pruned to eliminate duplicates Z: 9 6.252 1.809 0.455 0.385 0.875 0.625 CB 1.085 9 residues pruned to eliminate duplicates Z: 15 11.172 1.827 0.467 0.524 0.929 0.571 CB 1.172 15 residues pruned to eliminate duplicates Z: 13 9.567 1.852 0.416 0.522 0.917 0.583 CA 1.125 13 residues pruned to eliminate duplicates Z: 17 9.815 1.733 0.490 0.462 0.938 0.375 CA 1.054 17 residues pruned to eliminate duplicates Z: 10 5.658 1.653 0.361 0.407 0.889 0.556 CB 1.040 10 residues pruned to eliminate duplicates Z: 31 14.765 1.978 0.443 0.273 0.867 0.367 CB 1.409 79 residues pruned to eliminate duplicates Z: 11 8.250 1.679 0.676 0.337 0.900 0.400 CA 1.231 Z: 8 4.513 1.723 0.283 0.491 0.714 0.429 CB 1.090 Z: 8 4.735 1.719 0.143 0.506 0.857 0.429 CA 1.056 8 residues pruned to eliminate duplicates Z: 7 7.918 1.721 0.766 0.502 0.833 0.500 CA 1.274 Z: 10 7.215 1.595 0.403 0.586 1.000 0.556 CB 0.990 7 residues pruned to eliminate duplicates Z: 6 5.048 1.645 0.579 0.729 1.000 0.400 N 0.707 6 residues pruned to eliminate duplicates Z: 16 12.662 2.023 0.295 0.448 0.933 0.667 CB 1.409 5 residues pruned to eliminate duplicates Z: 20 10.769 1.945 0.261 0.388 0.895 0.632 CB 1.268 17 residues pruned to eliminate duplicates Z: 7 5.054 1.570 0.458 0.359 1.000 0.667 CA 1.049 7 residues pruned to eliminate duplicates Z: 28 15.145 1.978 0.324 0.334 0.889 0.444 CB 1.501 39 residues pruned to eliminate duplicates Z: 6 8.408 1.890 0.337 0.476 1.000 0.800 N 1.525 6 residues pruned to eliminate duplicates Z: 28 14.491 1.993 0.397 0.324 0.815 0.556 CB 1.492 28 residues pruned to eliminate duplicates Z: 11 16.128 2.112 0.288 0.564 1.000 0.800 CB 1.763 15 residues pruned to eliminate duplicates Z: 6 4.610 1.517 0.702 0.292 1.000 0.400 CB 1.007 12 residues pruned to eliminate duplicates Z: 41 26.802 2.051 0.450 0.592 0.975 0.625 CA 1.338 41 residues pruned to eliminate duplicates Z: 36 23.293 2.065 0.311 0.621 0.971 0.686 CA 1.336 36 residues pruned to eliminate duplicates Z: 15 11.764 2.154 0.404 0.405 0.857 0.429 CB 1.340 14 residues pruned to eliminate duplicates Z: 14 19.995 2.237 0.712 0.472 1.000 0.615 CB 1.490 16 residues pruned to eliminate duplicates Z: 23 14.830 1.999 0.428 0.395 0.909 0.455 CB 1.361 23 residues pruned to eliminate duplicates Z: 23 17.162 2.075 0.556 0.418 0.909 0.636 CB 1.357 23 residues pruned to eliminate duplicates Z: 39 27.105 2.049 0.489 0.613 0.947 0.711 CA 1.367 39 residues pruned to eliminate duplicates Z: 27 22.146 2.070 0.499 0.573 1.000 0.615 CA 1.305 27 residues pruned to eliminate duplicates Z: 21 20.240 2.093 0.615 0.451 1.000 0.650 CB 1.407 21 residues pruned to eliminate duplicates Z: 31 24.092 2.067 0.505 0.566 1.000 0.733 CA 1.326 29 residues pruned to eliminate duplicates Z: 41 28.063 2.086 0.510 0.624 0.950 0.575 CA 1.320 43 residues pruned to eliminate duplicates Z: 22 17.905 2.066 0.595 0.432 0.952 0.524 CB 1.335 22 residues pruned to eliminate duplicates Z: 13 10.527 1.994 0.416 0.437 0.917 0.833 CA 1.254 13 residues pruned to eliminate duplicates Z: 28 26.530 2.130 0.595 0.570 0.963 0.704 CB 1.459 28 residues pruned to eliminate duplicates Z: 29 19.974 1.964 0.287 0.705 0.964 0.750 CA 1.286 29 residues pruned to eliminate duplicates Z: 36 26.962 2.034 0.430 0.608 1.000 0.714 CA 1.414 36 residues pruned to eliminate duplicates Z: 47 36.539 2.117 0.631 0.630 0.913 0.500 CA 1.512 47 residues pruned to eliminate duplicates Z: 7 10.473 2.082 0.479 0.708 1.000 1.000 CA 1.150 7 residues pruned to eliminate duplicates Z: 65 47.898 2.135 0.694 0.605 0.969 0.562 CA 1.547 65 residues pruned to eliminate duplicates Z: 15 28.350 2.106 0.805 0.916 1.000 0.786 CA 1.407 15 residues pruned to eliminate duplicates Z: 40 40.896 2.118 0.773 0.740 1.000 0.692 CA 1.407 40 residues pruned to eliminate duplicates Z: 40 31.577 2.047 0.573 0.701 0.949 0.615 CA 1.378 40 residues pruned to eliminate duplicates Z: 74 39.774 2.079 0.494 0.574 0.945 0.644 CA 1.477 74 residues pruned to eliminate duplicates Z: 45 31.288 2.031 0.567 0.638 0.909 0.568 CA 1.432 45 residues pruned to eliminate duplicates Z: 56 33.805 2.074 0.485 0.577 0.945 0.582 CA 1.454 56 residues pruned to eliminate duplicates Z: 19 28.143 2.086 0.833 0.788 1.000 0.667 CA 1.347 19 residues pruned to eliminate duplicates Z: 17 17.585 2.056 0.320 0.776 0.938 0.750 CA 1.354 17 residues pruned to eliminate duplicates Z: 37 35.976 2.120 0.621 0.715 1.000 0.639 CA 1.437 37 residues pruned to eliminate duplicates Z: 38 34.691 2.087 0.701 0.645 0.973 0.568 CA 1.442 38 residues pruned to eliminate duplicates Z: 36 36.922 2.095 0.686 0.768 0.971 0.514 CA 1.434 36 residues pruned to eliminate duplicates Z: 42 35.600 2.063 0.670 0.674 0.976 0.561 CA 1.409 42 residues pruned to eliminate duplicates Z: 44 34.367 2.005 0.613 0.699 1.000 0.581 CA 1.352 44 residues pruned to eliminate duplicates Z: 51 40.027 2.100 0.660 0.650 0.980 0.660 CA 1.440 51 residues pruned to eliminate duplicates Z: 41 34.851 2.084 0.676 0.714 0.950 0.675 CA 1.368 41 residues pruned to eliminate duplicates Z: 17 17.206 2.024 0.692 0.673 0.938 0.688 CA 1.142 17 residues pruned to eliminate duplicates Z: 36 35.525 2.068 0.711 0.716 0.971 0.571 CA 1.437 36 residues pruned to eliminate duplicates Z: 55 35.247 2.034 0.637 0.608 0.944 0.611 CB 1.376 55 residues pruned to eliminate duplicates Z: 60 38.592 2.114 0.592 0.583 0.932 0.559 CA 1.478 60 residues pruned to eliminate duplicates Z: 66 37.926 2.101 0.587 0.571 0.877 0.492 CA 1.502 66 residues pruned to eliminate duplicates Z: 36 33.601 2.090 0.660 0.697 0.943 0.657 CA 1.451 36 residues pruned to eliminate duplicates Z: 69 37.392 2.059 0.615 0.570 0.853 0.647 CA 1.494 69 residues pruned to eliminate duplicates Z: 45 38.662 2.163 0.751 0.506 0.909 0.568 CB 1.683 45 residues pruned to eliminate duplicates Z: 35 38.610 2.116 0.828 0.771 0.971 0.588 CA 1.388 35 residues pruned to eliminate duplicates Z: 22 21.884 1.915 0.758 0.624 0.905 0.619 CB 1.395 22 residues pruned to eliminate duplicates Z: 60 41.257 2.099 0.718 0.589 0.932 0.576 CA 1.467 60 residues pruned to eliminate duplicates Z: 17 21.316 2.032 0.730 0.615 0.938 0.562 CB 1.451 17 residues pruned to eliminate duplicates Z: 34 26.641 1.968 0.723 0.587 0.970 0.576 CA 1.297 34 residues pruned to eliminate duplicates Z: 42 33.620 2.148 0.650 0.535 0.878 0.537 CB 1.630 42 residues pruned to eliminate duplicates Z: 44 30.151 2.118 0.618 0.511 0.860 0.605 CA 1.542 44 residues pruned to eliminate duplicates Z: 46 34.022 2.132 0.573 0.530 0.911 0.644 CB 1.611 46 residues pruned to eliminate duplicates Z: 59 36.685 2.062 0.704 0.563 0.879 0.569 CA 1.467 59 residues pruned to eliminate duplicates Z: 46 25.083 2.096 0.410 0.498 0.800 0.578 CA 1.585 46 residues pruned to eliminate duplicates Z: 36 24.282 2.008 0.636 0.410 0.886 0.429 CA 1.550 36 residues pruned to eliminate duplicates Z: 49 29.495 2.049 0.545 0.492 0.875 0.604 CA 1.549 49 residues pruned to eliminate duplicates Z: 40 29.181 2.107 0.609 0.470 0.897 0.590 CA 1.583 40 residues pruned to eliminate duplicates Z: 69 36.719 2.052 0.510 0.567 0.926 0.574 CA 1.454 69 residues pruned to eliminate duplicates Z: 45 30.146 2.128 0.471 0.522 0.886 0.568 CB 1.603 45 residues pruned to eliminate duplicates Z: 60 40.875 2.101 0.688 0.590 0.966 0.508 CA 1.425 60 residues pruned to eliminate duplicates Z: 21 19.142 2.138 0.470 0.381 0.900 0.550 CA 1.717 21 residues pruned to eliminate duplicates Z: 83 41.600 2.080 0.541 0.563 0.927 0.573 CA 1.455 83 residues pruned to eliminate duplicates Z: 24 22.196 2.147 0.525 0.449 0.913 0.609 CB 1.632 24 residues pruned to eliminate duplicates Z: 25 19.718 2.093 0.627 0.405 0.833 0.500 CA 1.567 25 residues pruned to eliminate duplicates Z: 22 16.280 2.116 0.476 0.435 0.762 0.476 CA 1.598 22 residues pruned to eliminate duplicates Z: 23 17.350 2.139 0.533 0.447 0.773 0.500 CB 1.543 23 residues pruned to eliminate duplicates Z: 25 18.780 2.072 0.552 0.476 0.792 0.583 CA 1.544 25 residues pruned to eliminate duplicates Z: 45 34.904 2.134 0.628 0.525 0.932 0.591 CA 1.585 45 residues pruned to eliminate duplicates Z: 33 22.990 2.103 0.589 0.408 0.844 0.500 CB 1.588 33 residues pruned to eliminate duplicates Z: 40 28.443 2.102 0.539 0.490 0.897 0.538 CB 1.584 40 residues pruned to eliminate duplicates Z: 26 19.924 2.070 0.542 0.423 0.840 0.560 CA 1.609 26 residues pruned to eliminate duplicates Z: 24 20.394 2.136 0.529 0.448 0.870 0.522 CB 1.579 24 residues pruned to eliminate duplicates Z: 23 16.533 2.087 0.429 0.480 0.773 0.545 CB 1.561 23 residues pruned to eliminate duplicates Z: 25 23.365 2.107 0.640 0.454 0.875 0.583 CA 1.654 25 residues pruned to eliminate duplicates Z: 25 19.797 2.106 0.598 0.417 0.833 0.583 CA 1.572 25 residues pruned to eliminate duplicates Z: 24 21.064 2.135 0.704 0.451 0.826 0.652 CA 1.536 24 residues pruned to eliminate duplicates Z: 7 5.133 2.036 0.484 0.232 0.667 0.500 CA 1.421 5 residues pruned to eliminate duplicates Z: 11 17.010 1.782 1.056 0.811 1.000 0.600 CA 1.120 11 residues pruned to eliminate duplicates Z: 7 6.744 2.089 0.766 0.164 0.667 0.333 CB 1.686 5 residues pruned to eliminate duplicates Z: 12 19.000 2.046 0.832 0.694 0.909 0.727 CA 1.408 12 residues pruned to eliminate duplicates Z: 17 6.614 1.825 0.561 0.258 0.812 0.312 CB 0.942 17 residues pruned to eliminate duplicates Z: 15 9.118 2.005 0.448 0.340 0.929 0.500 CB 1.076 15 residues pruned to eliminate duplicates Z: 12 9.764 1.969 0.525 0.289 0.909 0.545 CB 1.367 14 residues pruned to eliminate duplicates Z: 8 6.182 1.547 0.611 0.468 0.857 0.714 CA 1.130 8 residues pruned to eliminate duplicates Z: 10 11.032 2.162 0.495 0.357 0.889 0.444 CB 1.494 10 residues pruned to eliminate duplicates Z: 8 4.241 1.751 0.340 0.190 1.000 0.429 CA 0.990 8 residues pruned to eliminate duplicates Z: 13 8.667 1.852 0.356 0.326 1.000 0.417 CB 1.206 13 residues pruned to eliminate duplicates Z: 12 10.269 1.976 0.480 0.338 1.000 0.545 CB 1.262 12 residues pruned to eliminate duplicates Z: 23 8.579 1.854 0.392 0.223 0.727 0.500 CB 1.347 25 residues pruned to eliminate duplicates Z: 7 5.610 1.643 0.553 0.448 0.833 0.167 CA 1.136 7 residues pruned to eliminate duplicates Z: 13 9.159 1.930 0.562 0.281 0.833 0.250 CB 1.347 13 residues pruned to eliminate duplicates Z: 12 8.829 1.980 0.589 0.251 0.909 0.455 CB 1.239 12 residues pruned to eliminate duplicates Z: 10 5.085 2.071 0.167 0.389 0.667 0.444 CB 1.183 10 residues pruned to eliminate duplicates Z: 23 10.007 1.865 0.256 0.261 0.818 0.318 CB 1.462 22 residues pruned to eliminate duplicates Z: 6 2.099 1.330 0.733 0.367 1.000 0.400 CB 0.470 6 residues pruned to eliminate duplicates Z: 38 21.123 2.158 0.505 0.434 0.838 0.405 CB 1.365 38 residues pruned to eliminate duplicates Z: 18 9.530 1.822 0.607 0.310 0.824 0.353 CB 1.183 Z: 17 10.525 2.024 0.572 0.353 0.812 0.438 CB 1.193 13 residues pruned to eliminate duplicates Z: 63 42.947 2.198 0.585 0.561 0.919 0.516 CB 1.606 85 residues pruned to eliminate duplicates Z: 13 9.159 2.091 0.396 0.307 0.833 0.417 CB 1.346 Z: 6 6.446 1.595 0.745 0.409 1.000 0.600 C 1.139 6 residues pruned to eliminate duplicates Z: 23 14.694 2.072 0.523 0.364 0.864 0.455 CB 1.330 36 residues pruned to eliminate duplicates Z: 45 41.796 2.214 0.585 0.639 1.000 0.705 CA 1.577 45 residues pruned to eliminate duplicates Z: 65 41.659 2.164 0.544 0.552 0.922 0.562 CB 1.607 65 residues pruned to eliminate duplicates Z: 31 32.670 2.231 0.555 0.655 0.967 0.567 CA 1.539 33 residues pruned to eliminate duplicates Z: 50 49.475 2.255 0.688 0.635 0.980 0.653 CB 1.670 50 residues pruned to eliminate duplicates Z: 60 37.924 2.161 0.490 0.547 0.932 0.610 CB 1.571 60 residues pruned to eliminate duplicates Z: 41 32.626 2.158 0.534 0.542 0.950 0.500 CA 1.574 38 residues pruned to eliminate duplicates Z: 44 40.346 2.248 0.574 0.642 0.930 0.605 CA 1.637 44 residues pruned to eliminate duplicates Z: 45 42.808 2.244 0.589 0.637 1.000 0.523 CA 1.591 45 residues pruned to eliminate duplicates Z: 52 38.248 2.176 0.543 0.592 0.922 0.549 CB 1.585 52 residues pruned to eliminate duplicates Z: 42 47.687 2.283 0.704 0.676 0.976 0.561 CA 1.669 42 residues pruned to eliminate duplicates Z: 45 46.509 2.249 0.716 0.634 0.977 0.636 CA 1.640 45 residues pruned to eliminate duplicates Z: 103 53.237 2.189 0.493 0.551 0.922 0.608 CB 1.666 103 residues pruned to eliminate duplicates Z: 53 48.193 2.242 0.647 0.629 0.962 0.596 CB 1.667 53 residues pruned to eliminate duplicates Z: 54 40.264 2.215 0.508 0.592 0.925 0.509 CB 1.639 54 residues pruned to eliminate duplicates Z: 15 24.529 2.250 0.976 0.729 0.857 0.429 CA 1.400 15 residues pruned to eliminate duplicates Z: 46 44.903 2.221 0.711 0.635 0.933 0.556 CA 1.662 46 residues pruned to eliminate duplicates Z: 52 44.170 2.213 0.597 0.625 0.961 0.588 CB 1.620 52 residues pruned to eliminate duplicates Z: 57 43.283 2.167 0.610 0.581 0.964 0.500 CB 1.590 57 residues pruned to eliminate duplicates Z: 66 44.060 2.190 0.604 0.551 0.938 0.538 CB 1.578 70 residues pruned to eliminate duplicates Z: 55 43.718 2.229 0.592 0.615 0.963 0.481 CB 1.561 55 residues pruned to eliminate duplicates Z: 46 47.294 2.209 0.765 0.642 0.978 0.511 CA 1.619 46 residues pruned to eliminate duplicates Z: 54 44.946 2.191 0.695 0.586 0.943 0.472 CA 1.623 53 residues pruned to eliminate duplicates Z: 51 50.432 2.242 0.758 0.629 0.980 0.440 CB 1.636 51 residues pruned to eliminate duplicates Z: 32 38.816 2.236 0.750 0.622 1.000 0.548 CA 1.588 31 residues pruned to eliminate duplicates Z: 65 41.112 2.176 0.537 0.540 0.938 0.484 CB 1.575 65 residues pruned to eliminate duplicates Z: 55 42.409 2.162 0.743 0.581 0.907 0.537 CB 1.560 55 residues pruned to eliminate duplicates Z: 54 41.643 2.194 0.669 0.562 0.925 0.585 CA 1.590 54 residues pruned to eliminate duplicates Z: 63 48.125 2.240 0.625 0.566 0.952 0.581 CB 1.656 63 residues pruned to eliminate duplicates Z: 43 46.411 2.266 0.723 0.668 0.952 0.452 CA 1.649 43 residues pruned to eliminate duplicates Z: 54 44.015 2.227 0.663 0.614 0.925 0.528 CB 1.584 54 residues pruned to eliminate duplicates Z: 53 41.763 2.210 0.518 0.594 0.981 0.481 CA 1.608 53 residues pruned to eliminate duplicates Z: 48 43.332 2.193 0.706 0.600 0.957 0.489 CA 1.604 48 residues pruned to eliminate duplicates Z: 52 40.793 2.207 0.736 0.587 0.882 0.471 CB 1.555 52 residues pruned to eliminate duplicates Z: 44 36.608 2.151 0.832 0.520 0.884 0.488 CA 1.572 44 residues pruned to eliminate duplicates Z: 42 39.426 2.235 0.651 0.646 0.927 0.537 CB 1.572 42 residues pruned to eliminate duplicates Z: 64 45.588 2.183 0.719 0.560 0.921 0.460 CB 1.568 64 residues pruned to eliminate duplicates Z: 43 36.813 2.137 0.811 0.538 0.905 0.381 CB 1.562 43 residues pruned to eliminate duplicates Z: 47 43.679 2.224 0.734 0.622 0.913 0.587 CB 1.630 47 residues pruned to eliminate duplicates Z: 69 43.117 2.154 0.600 0.526 0.941 0.500 CB 1.572 69 residues pruned to eliminate duplicates Z: 46 36.576 2.181 0.702 0.576 0.844 0.311 CB 1.617 46 residues pruned to eliminate duplicates Z: 45 44.804 2.226 0.713 0.663 0.932 0.523 CA 1.634 45 residues pruned to eliminate duplicates Z: 54 32.597 2.113 0.655 0.457 0.906 0.509 CB 1.477 54 residues pruned to eliminate duplicates Z: 62 48.115 2.224 0.630 0.586 0.951 0.557 CB 1.646 62 residues pruned to eliminate duplicates Z: 53 53.458 2.248 0.841 0.620 0.962 0.558 CA 1.664 53 residues pruned to eliminate duplicates Z: 54 49.131 2.224 0.736 0.596 0.981 0.434 CB 1.626 55 residues pruned to eliminate duplicates Z: 74 54.741 2.239 0.771 0.533 0.932 0.534 CA 1.680 74 residues pruned to eliminate duplicates Z: 99 57.632 2.223 0.564 0.567 0.939 0.551 CB 1.672 99 residues pruned to eliminate duplicates Z: 55 39.472 2.172 0.543 0.601 0.907 0.463 CA 1.604 55 residues pruned to eliminate duplicates Z: 64 42.305 2.200 0.708 0.522 0.889 0.540 CB 1.560 64 residues pruned to eliminate duplicates Z: 61 44.429 2.203 0.701 0.541 0.883 0.450 CB 1.664 61 residues pruned to eliminate duplicates Z: 37 28.293 2.175 0.728 0.405 0.972 0.472 CB 1.427 37 residues pruned to eliminate duplicates Z: 11 15.908 2.262 0.889 0.254 1.000 0.400 CA 1.562 11 residues pruned to eliminate duplicates Z: 77 53.885 2.214 0.677 0.530 0.961 0.461 CB 1.682 77 residues pruned to eliminate duplicates Z: 16 15.953 2.049 0.871 0.384 0.800 0.467 CB 1.520 16 residues pruned to eliminate duplicates Z: 79 46.979 2.195 0.603 0.503 0.936 0.590 CB 1.610 79 residues pruned to eliminate duplicates Z: 87 52.211 2.207 0.622 0.503 0.930 0.477 CA 1.687 87 residues pruned to eliminate duplicates Z: 74 49.562 2.212 0.716 0.512 0.918 0.438 CA 1.645 74 residues pruned to eliminate duplicates Z: 64 33.783 2.097 0.477 0.503 0.889 0.524 CB 1.542 64 residues pruned to eliminate duplicates Z: 80 50.542 2.190 0.704 0.509 0.911 0.494 CB 1.658 80 residues pruned to eliminate duplicates Z: 69 48.708 2.229 0.748 0.532 0.897 0.544 CB 1.638 69 residues pruned to eliminate duplicates Z: 99 58.943 2.194 0.624 0.594 0.918 0.531 CB 1.663 99 residues pruned to eliminate duplicates Z: 56 33.330 2.126 0.379 0.535 0.909 0.582 CA 1.629 56 residues pruned to eliminate duplicates Z: 86 51.139 2.206 0.617 0.516 0.918 0.482 CA 1.668 86 residues pruned to eliminate duplicates Z: 98 59.169 2.217 0.564 0.582 0.959 0.629 CB 1.670 98 residues pruned to eliminate duplicates Z: 45 29.943 2.157 0.395 0.490 0.909 0.614 CA 1.667 45 residues pruned to eliminate duplicates Z: 106 57.984 2.157 0.576 0.582 0.952 0.552 CA 1.615 106 residues pruned to eliminate duplicates Z: 52 34.039 2.205 0.479 0.477 0.882 0.608 CB 1.695 52 residues pruned to eliminate duplicates Z: 15 7.875 1.849 0.313 0.310 0.714 0.357 C 1.497 15 residues pruned to eliminate duplicates Z: 52 31.799 2.136 0.406 0.499 0.922 0.686 CA 1.610 52 residues pruned to eliminate duplicates Z: 82 39.632 2.092 0.461 0.511 0.914 0.556 CA 1.560 82 residues pruned to eliminate duplicates Z: 50 30.999 2.163 0.342 0.497 0.939 0.551 CA 1.630 50 residues pruned to eliminate duplicates Z: 48 34.807 2.221 0.515 0.435 0.936 0.574 CB 1.725 48 residues pruned to eliminate duplicates Z: 43 24.308 2.120 0.472 0.342 0.905 0.524 CA 1.577 43 residues pruned to eliminate duplicates Z: 28 20.423 2.111 0.044 0.631 0.926 0.704 CA 1.703 28 residues pruned to eliminate duplicates Z: 109 55.565 2.166 0.562 0.568 0.917 0.528 CA 1.614 109 residues pruned to eliminate duplicates Z: 39 23.132 1.994 0.195 0.648 0.921 0.605 CA 1.489 39 residues pruned to eliminate duplicates Z: 14 11.966 1.919 0.517 0.427 0.769 0.385 CB 1.599 14 residues pruned to eliminate duplicates Z: 15 11.399 1.878 0.368 0.392 0.929 0.714 N 1.432 15 residues pruned to eliminate duplicates Z: 12 16.235 1.998 0.651 0.453 1.000 0.727 N 1.557 12 residues pruned to eliminate duplicates Z: 24 25.036 2.212 0.241 0.719 0.913 0.739 CB 1.708 24 residues pruned to eliminate duplicates Z: 29 26.893 2.075 0.343 0.649 0.929 0.714 CA 1.709 29 residues pruned to eliminate duplicates Z: 12 12.717 2.070 0.583 0.390 0.818 0.727 N 1.607 12 residues pruned to eliminate duplicates Z: 31 23.773 2.038 0.288 0.712 0.867 0.700 CB 1.574 31 residues pruned to eliminate duplicates Z: 22 18.659 2.097 0.197 0.702 0.905 0.714 CB 1.492 22 residues pruned to eliminate duplicates Z: 103 50.633 2.160 0.559 0.524 0.882 0.520 CB 1.647 103 residues pruned to eliminate duplicates Z: 27 21.971 2.071 0.295 0.678 0.885 0.538 CB 1.541 27 residues pruned to eliminate duplicates Z: 25 20.607 1.996 0.407 0.615 0.833 0.542 CA 1.612 25 residues pruned to eliminate duplicates Z: 36 23.542 2.022 0.248 0.616 0.886 0.629 CB 1.596 36 residues pruned to eliminate duplicates Z: 22 13.508 1.922 0.231 0.628 0.810 0.429 CB 1.364 22 residues pruned to eliminate duplicates Z: 30 19.825 2.029 0.217 0.641 0.897 0.586 CB 1.458 30 residues pruned to eliminate duplicates Z: 10 13.049 2.096 0.276 0.752 0.889 0.889 CB 1.462 10 residues pruned to eliminate duplicates Z: 33 19.654 1.972 0.449 0.567 0.781 0.500 CB 1.459 33 residues pruned to eliminate duplicates Z: 52 33.964 2.139 0.530 0.481 0.882 0.569 CA 1.678 52 residues pruned to eliminate duplicates Z: 26 30.841 2.166 0.554 0.686 0.920 0.600 CB 1.680 26 residues pruned to eliminate duplicates Z: 25 31.626 2.196 0.609 0.716 0.917 0.583 CB 1.639 25 residues pruned to eliminate duplicates Z: 126 56.389 2.150 0.549 0.542 0.920 0.456 CB 1.581 138 residues pruned to eliminate duplicates Z: 19 23.489 2.113 0.493 0.842 1.000 0.778 CB 1.308 19 residues pruned to eliminate duplicates Z: 36 26.496 2.024 0.528 0.623 0.886 0.514 CB 1.456 36 residues pruned to eliminate duplicates Z: 30 22.215 2.015 0.493 0.674 0.862 0.448 CB 1.354 30 residues pruned to eliminate duplicates Z: 6 3.509 1.798 0.131 0.591 0.800 0.400 CB 0.884 6 residues pruned to eliminate duplicates Z: 35 25.345 2.066 0.414 0.638 0.912 0.471 CB 1.434 35 residues pruned to eliminate duplicates Z: 23 10.484 1.882 0.321 0.553 0.727 0.273 CB 1.175 23 residues pruned to eliminate duplicates Z: 10 4.932 1.798 0.222 0.341 0.667 0.333 N 1.334 10 residues pruned to eliminate duplicates Z: 8 2.733 1.792 0.023 0.285 0.571 0.286 N 1.255 8 residues pruned to eliminate duplicates Z: 6 2.262 1.911 0.028 0.188 0.600 0.200 CA 1.247 6 residues pruned to eliminate duplicates Z: 21 9.868 2.000 0.394 0.323 0.750 0.350 CB 1.282 21 residues pruned to eliminate duplicates Z: 28 12.855 1.943 0.369 0.354 0.852 0.481 CB 1.279 28 residues pruned to eliminate duplicates Z: 52 18.132 1.835 0.468 0.382 0.804 0.529 CB 1.329 55 residues pruned to eliminate duplicates Z: 6 3.037 1.563 0.227 0.396 0.800 0.600 CB 0.988 6 residues pruned to eliminate duplicates Z: 29 14.617 1.929 0.303 0.376 0.929 0.536 CB 1.351 29 residues pruned to eliminate duplicates Z: 20 13.563 2.020 0.352 0.459 0.947 0.579 CB 1.253 20 residues pruned to eliminate duplicates Z: 34 12.387 1.786 0.560 0.304 0.818 0.455 CB 1.176 34 residues pruned to eliminate duplicates Z: 16 14.574 2.059 0.583 0.462 0.933 0.667 CB 1.286 16 residues pruned to eliminate duplicates Z: 59 26.628 2.024 0.470 0.386 0.862 0.552 CB 1.539 59 residues pruned to eliminate duplicates Z: 95 33.436 1.940 0.423 0.488 0.894 0.606 CA 1.416 95 residues pruned to eliminate duplicates Z: 21 16.134 1.983 0.684 0.446 0.900 0.550 CB 1.268 21 residues pruned to eliminate duplicates Z: 17 11.319 1.951 0.276 0.351 0.875 0.438 CB 1.526 17 residues pruned to eliminate duplicates Z: 14 15.542 2.092 0.465 0.541 1.000 0.769 CB 1.351 14 residues pruned to eliminate duplicates Z: 27 16.131 2.014 0.475 0.395 0.846 0.462 CB 1.406 27 residues pruned to eliminate duplicates Z: 23 9.810 1.916 0.372 0.400 0.864 0.500 CB 1.024 23 residues pruned to eliminate duplicates Z: 16 9.098 1.940 0.422 0.344 0.867 0.533 CB 1.163 16 residues pruned to eliminate duplicates Z: 33 12.840 1.891 0.389 0.346 0.781 0.469 CB 1.308 33 residues pruned to eliminate duplicates Z: 18 7.533 1.905 0.088 0.288 0.765 0.471 CB 1.463 18 residues pruned to eliminate duplicates Z: 21 13.594 2.055 0.374 0.447 0.850 0.600 CB 1.338 21 residues pruned to eliminate duplicates Z: 21 9.644 1.865 0.430 0.332 0.700 0.350 CB 1.387 21 residues pruned to eliminate duplicates Z: 17 11.262 1.939 0.447 0.314 0.812 0.438 CB 1.516 17 residues pruned to eliminate duplicates Z: 30 17.028 2.041 0.529 0.362 0.828 0.483 CA 1.420 30 residues pruned to eliminate duplicates Z: 20 9.292 1.841 0.234 0.352 0.842 0.421 CB 1.306 20 residues pruned to eliminate duplicates Z: 9 4.284 1.922 0.368 0.129 0.625 0.375 CA 1.467 9 residues pruned to eliminate duplicates Z: 9 4.301 1.930 0.434 0.140 0.625 0.375 CA 1.374 9 residues pruned to eliminate duplicates Z: 11 5.460 1.792 0.460 0.126 0.900 0.300 CA 1.171 11 residues pruned to eliminate duplicates Z: 19 9.854 1.916 0.422 0.282 0.778 0.333 CA 1.401 19 residues pruned to eliminate duplicates Z: 31 19.826 2.008 0.470 0.447 0.900 0.567 CB 1.439 31 residues pruned to eliminate duplicates Z: 9 9.513 1.937 0.722 0.407 0.875 0.500 CA 1.270 9 residues pruned to eliminate duplicates Z: 21 13.811 2.022 0.624 0.305 0.800 0.500 CA 1.461 21 residues pruned to eliminate duplicates Z: 14 9.280 1.924 0.571 0.240 0.846 0.538 CA 1.360 14 residues pruned to eliminate duplicates Z: 7 10.713 1.930 0.809 0.569 0.833 0.667 CA 1.406 Z: 9 6.706 2.049 0.936 0.251 0.625 0.625 CA 1.274 16 residues pruned to eliminate duplicates Z: 15 9.273 1.873 0.544 0.240 0.786 0.429 CA 1.474 15 residues pruned to eliminate duplicates Z: 13 10.025 1.886 0.660 0.297 0.833 0.500 CA 1.391 13 residues pruned to eliminate duplicates Z: 56 33.068 2.041 0.631 0.520 0.891 0.618 CA 1.474 56 residues pruned to eliminate duplicates Z: 54 35.184 2.062 0.485 0.555 0.943 0.642 CA 1.586 54 residues pruned to eliminate duplicates Z: 62 31.266 1.952 0.555 0.508 0.902 0.607 CA 1.451 62 residues pruned to eliminate duplicates Z: 24 16.432 1.992 0.819 0.325 0.739 0.522 CA 1.551 24 residues pruned to eliminate duplicates Z: 21 14.147 1.949 0.713 0.308 0.900 0.500 CA 1.302 21 residues pruned to eliminate duplicates Z: 40 33.359 2.156 0.448 0.616 0.974 0.667 CA 1.573 40 residues pruned to eliminate duplicates Z: 23 10.784 1.875 0.538 0.331 0.773 0.545 CA 1.242 23 residues pruned to eliminate duplicates Z: 12 10.082 2.139 0.594 0.430 0.818 0.545 CA 1.172 12 residues pruned to eliminate duplicates Z: 22 11.483 2.016 0.646 0.290 0.762 0.476 CA 1.255 22 residues pruned to eliminate duplicates Z: 56 34.157 2.036 0.555 0.545 0.909 0.618 CA 1.532 56 residues pruned to eliminate duplicates Z: 32 21.473 2.045 0.690 0.340 0.903 0.613 CA 1.470 32 residues pruned to eliminate duplicates Z: 55 33.462 2.036 0.595 0.552 0.907 0.574 CA 1.469 55 residues pruned to eliminate duplicates Z: 56 35.723 2.074 0.522 0.543 0.927 0.545 CA 1.578 56 residues pruned to eliminate duplicates Z: 35 36.423 2.095 0.549 0.729 1.000 0.706 CA 1.567 33 residues pruned to eliminate duplicates Z: 7 4.534 1.626 0.555 0.298 0.667 0.333 CA 1.376 7 residues pruned to eliminate duplicates Z: 39 34.226 2.051 0.541 0.648 0.921 0.711 CA 1.662 39 residues pruned to eliminate duplicates Z: 38 36.683 2.077 0.637 0.680 0.946 0.703 CA 1.590 38 residues pruned to eliminate duplicates Z: 36 33.227 2.014 0.721 0.583 0.914 0.600 CA 1.636 36 residues pruned to eliminate duplicates Z: 27 28.137 2.077 0.474 0.680 0.885 0.731 CB 1.727 27 residues pruned to eliminate duplicates Z: 31 34.802 2.090 0.555 0.653 1.000 0.800 CA 1.697 31 residues pruned to eliminate duplicates Z: 22 14.318 1.956 0.323 0.524 0.952 0.619 CB 1.239 22 residues pruned to eliminate duplicates Z: 25 19.672 2.128 0.466 0.490 0.833 0.542 CA 1.560 25 residues pruned to eliminate duplicates Z: 34 38.097 2.094 0.689 0.739 0.939 0.788 CB 1.612 34 residues pruned to eliminate duplicates Z: 37 34.303 2.032 0.674 0.682 0.917 0.639 CA 1.552 37 residues pruned to eliminate duplicates Z: 40 36.199 2.039 0.647 0.613 0.949 0.462 CB 1.634 40 residues pruned to eliminate duplicates Z: 19 25.433 2.070 0.582 0.799 0.889 0.556 CB 1.585 19 residues pruned to eliminate duplicates Z: 39 36.152 2.077 0.726 0.670 0.947 0.500 CB 1.476 39 residues pruned to eliminate duplicates Z: 28 28.953 1.974 0.704 0.730 0.889 0.444 CB 1.515 28 residues pruned to eliminate duplicates Z: 19 31.417 2.095 0.729 0.833 0.944 0.444 CB 1.624 19 residues pruned to eliminate duplicates Z: 36 33.810 2.059 0.643 0.709 0.886 0.457 CB 1.577 36 residues pruned to eliminate duplicates Z: 48 27.357 1.960 0.592 0.576 0.830 0.447 CB 1.433 48 residues pruned to eliminate duplicates Z: 38 30.646 2.059 0.671 0.660 0.811 0.405 CB 1.557 38 residues pruned to eliminate duplicates Z: 17 20.013 1.956 0.594 0.734 0.875 0.312 CB 1.486 17 residues pruned to eliminate duplicates Z: 25 30.242 2.122 0.661 0.820 0.875 0.417 CB 1.516 25 residues pruned to eliminate duplicates Z: 34 37.707 2.095 0.740 0.751 0.939 0.606 CB 1.533 34 residues pruned to eliminate duplicates Z: 38 38.432 2.081 0.717 0.673 0.919 0.514 CA 1.641 38 residues pruned to eliminate duplicates Z: 38 26.082 1.995 0.730 0.671 0.784 0.486 CB 1.354 38 residues pruned to eliminate duplicates Z: 17 17.301 1.924 0.621 0.683 0.875 0.438 CB 1.339 17 residues pruned to eliminate duplicates Z: 45 27.324 2.004 0.513 0.571 0.841 0.386 CB 1.509 45 residues pruned to eliminate duplicates Z: 27 18.441 1.884 0.605 0.546 0.846 0.346 CB 1.351 27 residues pruned to eliminate duplicates Z: 7 5.502 1.796 0.367 0.481 0.833 0.167 CA 1.119 12 residues pruned to eliminate duplicates Z: 6 2.461 1.594 0.520 0.245 0.800 0.400 CA 0.762 6 residues pruned to eliminate duplicates Z: 18 10.110 2.102 0.155 0.329 0.765 0.471 CA 1.593 18 residues pruned to eliminate duplicates Z: 15 13.353 2.064 0.445 0.420 0.786 0.429 CA 1.656 15 residues pruned to eliminate duplicates Z: 8 11.645 1.728 0.743 0.481 1.000 0.714 N 1.490 8 residues pruned to eliminate duplicates Z: 15 10.499 2.133 0.256 0.424 0.714 0.286 CA 1.586 15 residues pruned to eliminate duplicates Z: 19 18.400 2.096 0.555 0.459 0.944 0.389 CA 1.469 25 residues pruned to eliminate duplicates Z: 7 3.314 1.667 0.207 0.464 0.833 0.667 CA 0.837 7 residues pruned to eliminate duplicates Z: 13 9.675 2.098 0.599 0.233 0.667 0.333 CB 1.703 13 residues pruned to eliminate duplicates Z: 18 14.271 2.044 0.308 0.389 0.882 0.412 CA 1.651 14 residues pruned to eliminate duplicates Z: 9 12.000 2.056 0.538 0.778 0.875 0.500 CB 1.200 10 residues pruned to eliminate duplicates Z: 10 21.061 1.938 0.753 0.870 1.000 0.778 CB 1.508 10 residues pruned to eliminate duplicates Z: 13 12.132 2.001 0.932 0.519 0.750 0.500 CB 1.185 13 residues pruned to eliminate duplicates Z: 11 20.515 2.086 0.898 0.630 0.900 0.400 CB 1.611 11 residues pruned to eliminate duplicates Z: 13 18.610 1.985 0.891 0.587 0.917 0.500 N 1.436 10 residues pruned to eliminate duplicates Z: 11 19.271 1.958 0.887 0.822 0.900 0.700 CB 1.386 11 residues pruned to eliminate duplicates Z: 18 17.192 1.981 0.381 0.733 0.882 0.529 CB 1.402 22 residues pruned to eliminate duplicates Z: 18 13.056 1.867 0.661 0.479 0.882 0.588 CB 1.182 18 residues pruned to eliminate duplicates Z: 14 16.627 2.053 0.781 0.718 0.846 0.538 CB 1.223 14 residues pruned to eliminate duplicates 536 residues left after pruning, divided into chains as follows: A: 6 B: 7 C: 6 D: 11 E: 13 F: 14 G: 8 H: 11 I: 6 J: 17 K: 7 L: 40 M: 12 N: 18 O: 26 P: 81 Q: 11 R: 17 S: 190 T: 22 U: 13 CC for partial structure against native data = 19.66 % ------------------------------------------------------------------------------ Global autotracing cycle 20 = 0.300, Contrast = 0.418, Connect. = 0.680 for dens.mod. cycle 1 = 0.300, Contrast = 0.480, Connect. = 0.703 for dens.mod. cycle 2 = 0.300, Contrast = 0.553, Connect. = 0.737 for dens.mod. cycle 3 = 0.300, Contrast = 0.558, Connect. = 0.742 for dens.mod. cycle 4 = 0.300, Contrast = 0.565, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.569, Connect. = 0.750 for dens.mod. cycle 6 = 0.300, Contrast = 0.573, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.575, Connect. = 0.755 for dens.mod. cycle 8 = 0.300, Contrast = 0.576, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.577, Connect. = 0.758 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6917 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1212 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 9 14.488 1.950 0.687 0.888 0.875 0.750 CB 1.282 B: 89 34.883 2.068 0.406 0.483 0.886 0.523 CB 1.468 C: 7 5.934 1.986 -0.017 0.249 1.000 0.667 N 1.656 D: 23 27.454 2.086 0.537 0.823 0.909 0.727 CA 1.518 E: 22 25.655 2.162 0.314 0.877 1.000 0.714 CA 1.431 23 residues pruned to eliminate duplicates F: 17 24.499 2.288 0.418 0.871 0.938 0.812 CB 1.468 17 residues pruned to eliminate duplicates G: 19 26.191 2.063 0.565 0.856 0.889 0.722 CB 1.586 19 residues pruned to eliminate duplicates H: 12 20.665 2.083 0.520 0.922 1.000 0.818 CB 1.384 I: 21 33.729 2.246 0.572 0.900 0.950 0.700 CA 1.606 21 residues pruned to eliminate duplicates J: 36 15.253 1.958 0.337 0.376 0.800 0.457 CB 1.406 30 residues pruned to eliminate duplicates K: 19 17.419 2.130 0.225 0.827 0.833 0.667 CA 1.423 19 residues pruned to eliminate duplicates L: 12 24.661 2.109 0.630 0.890 1.000 0.727 CB 1.556 12 residues pruned to eliminate duplicates M: 12 19.825 2.114 0.418 0.897 0.909 0.818 CA 1.570 12 residues pruned to eliminate duplicates N: 23 35.640 2.097 0.579 0.891 1.000 0.818 CB 1.650 O: 8 9.180 1.910 0.238 0.583 0.857 0.571 C 1.581 P: 20 22.276 2.075 0.248 0.882 1.000 0.789 CA 1.428 20 residues pruned to eliminate duplicates Q: 21 23.451 2.182 0.435 0.883 0.900 0.700 CA 1.346 21 residues pruned to eliminate duplicates R: 12 9.054 1.969 0.381 0.411 1.000 0.545 CB 1.102 S: 10 7.626 1.758 0.324 0.455 0.778 0.556 N 1.471 10 residues pruned to eliminate duplicates T: 11 21.807 1.906 0.766 0.900 1.000 0.600 CB 1.464 9 residues pruned to eliminate duplicates U: 40 25.674 2.070 0.517 0.463 0.897 0.513 CB 1.515 V: 19 17.899 2.120 0.165 0.821 0.889 0.778 CB 1.454 19 residues pruned to eliminate duplicates W: 19 34.404 2.147 0.670 0.904 1.000 0.778 CA 1.611 20 residues pruned to eliminate duplicates X: 59 37.350 2.087 0.477 0.645 0.966 0.603 CA 1.439 19 residues pruned to eliminate duplicates Y: 19 33.277 2.250 0.606 0.904 0.944 0.667 CA 1.637 19 residues pruned to eliminate duplicates Z: 11 17.644 2.078 0.278 0.922 0.900 0.900 CB 1.641 11 residues pruned to eliminate duplicates Z: 12 17.948 2.168 0.336 0.848 1.000 0.636 CB 1.387 3 residues pruned to eliminate duplicates Z: 21 28.585 2.060 0.499 0.905 1.000 0.900 CA 1.474 21 residues pruned to eliminate duplicates Z: 24 14.549 2.041 0.327 0.454 0.870 0.652 CA 1.351 Z: 18 17.097 2.152 0.347 0.469 0.941 0.471 CB 1.568 Z: 22 38.731 2.149 0.570 0.885 1.000 0.714 CB 1.807 21 residues pruned to eliminate duplicates Z: 21 35.088 2.117 0.832 0.886 0.950 0.650 CA 1.537 21 residues pruned to eliminate duplicates Z: 55 43.617 2.140 0.682 0.592 0.944 0.444 CA 1.600 44 residues pruned to eliminate duplicates Z: 11 24.717 2.196 0.501 0.902 1.000 0.700 CA 1.691 11 residues pruned to eliminate duplicates Z: 21 41.749 2.283 0.777 0.911 1.000 0.700 CA 1.630 21 residues pruned to eliminate duplicates Z: 22 38.047 2.140 0.610 0.922 0.952 0.905 CA 1.778 22 residues pruned to eliminate duplicates Z: 7 9.641 2.013 0.112 0.864 1.000 0.667 CA 1.290 7 residues pruned to eliminate duplicates Z: 9 12.532 1.874 0.809 0.641 1.000 0.500 N 1.145 7 residues pruned to eliminate duplicates Z: 19 20.960 2.119 0.335 0.847 0.944 0.722 CB 1.373 19 residues pruned to eliminate duplicates Z: 16 11.760 1.923 0.366 0.514 0.933 0.467 CB 1.221 14 residues pruned to eliminate duplicates Z: 18 37.231 2.121 1.023 0.859 0.941 0.765 CA 1.645 18 residues pruned to eliminate duplicates Z: 13 9.967 2.036 0.139 0.474 0.833 0.500 CA 1.529 13 residues pruned to eliminate duplicates Z: 32 31.372 2.030 0.711 0.611 0.903 0.677 CA 1.617 20 residues pruned to eliminate duplicates Z: 12 19.281 2.079 0.637 0.864 0.909 0.727 CA 1.378 12 residues pruned to eliminate duplicates Z: 22 32.818 2.087 0.508 0.878 1.000 0.810 CA 1.651 22 residues pruned to eliminate duplicates Z: 19 23.643 2.094 0.569 0.876 0.944 0.833 CA 1.305 19 residues pruned to eliminate duplicates Z: 21 16.705 2.169 0.528 0.368 0.900 0.600 CA 1.443 21 residues pruned to eliminate duplicates Z: 14 12.852 2.106 0.233 0.454 0.923 0.538 CB 1.559 Z: 22 34.223 2.124 0.562 0.914 0.952 0.714 CA 1.671 22 residues pruned to eliminate duplicates Z: 35 23.876 2.037 0.283 0.551 0.971 0.618 CA 1.534 35 residues pruned to eliminate duplicates Z: 10 21.457 1.917 0.801 0.897 1.000 1.000 CA 1.483 Z: 13 21.412 2.188 0.344 0.866 0.917 0.750 CB 1.679 11 residues pruned to eliminate duplicates Z: 13 15.700 2.107 0.364 0.778 0.917 0.417 CA 1.347 13 residues pruned to eliminate duplicates Z: 19 27.021 2.265 0.431 0.885 0.944 0.778 CA 1.502 19 residues pruned to eliminate duplicates Z: 26 17.426 2.086 0.675 0.324 0.840 0.480 CA 1.441 26 residues pruned to eliminate duplicates Z: 23 36.002 2.105 0.580 0.873 1.000 0.727 CA 1.681 23 residues pruned to eliminate duplicates Z: 19 11.014 1.955 0.311 0.448 0.722 0.500 CA 1.479 19 residues pruned to eliminate duplicates Z: 80 44.504 2.124 0.497 0.584 0.937 0.684 CA 1.550 64 residues pruned to eliminate duplicates Z: 12 4.819 1.817 0.024 0.469 0.818 0.636 CB 0.985 12 residues pruned to eliminate duplicates Z: 25 15.914 1.986 0.339 0.496 0.958 0.542 CA 1.280 25 residues pruned to eliminate duplicates Z: 9 9.948 1.918 0.536 0.487 0.875 0.625 CA 1.382 9 residues pruned to eliminate duplicates Z: 8 5.016 1.800 0.279 0.334 0.714 0.429 CB 1.383 8 residues pruned to eliminate duplicates Z: 13 16.012 2.244 0.591 0.523 0.833 0.417 CB 1.519 13 residues pruned to eliminate duplicates Z: 21 40.274 2.130 0.787 0.919 1.000 0.600 CB 1.667 24 residues pruned to eliminate duplicates Z: 10 4.805 1.726 0.212 0.589 0.778 0.444 CB 0.904 Z: 25 16.436 2.006 0.484 0.553 0.792 0.625 CB 1.353 25 residues pruned to eliminate duplicates Z: 20 11.670 2.021 0.536 0.234 0.789 0.526 CB 1.489 20 residues pruned to eliminate duplicates Z: 11 26.111 1.972 0.885 0.896 1.000 0.800 CB 1.592 10 residues pruned to eliminate duplicates Z: 6 4.188 1.835 0.302 0.299 0.800 0.400 N 1.227 6 residues pruned to eliminate duplicates Z: 16 14.405 2.074 0.493 0.467 0.933 0.800 CA 1.331 16 residues pruned to eliminate duplicates Z: 60 31.228 1.989 0.504 0.524 0.881 0.525 CA 1.506 41 residues pruned to eliminate duplicates Z: 10 16.387 1.823 0.801 0.755 1.000 0.889 CA 1.326 9 residues pruned to eliminate duplicates Z: 6 3.823 1.836 0.239 0.678 0.600 0.600 CB 1.063 6 residues pruned to eliminate duplicates Z: 18 27.296 2.091 0.596 0.863 0.941 0.588 CA 1.547 18 residues pruned to eliminate duplicates Z: 6 3.612 1.829 0.424 0.270 0.600 0.400 CA 1.342 6 residues pruned to eliminate duplicates Z: 9 6.623 1.781 0.363 0.375 0.750 0.500 N 1.470 9 residues pruned to eliminate duplicates Z: 16 24.550 2.197 0.808 0.789 0.800 0.333 CA 1.548 16 residues pruned to eliminate duplicates Z: 9 10.448 1.966 0.737 0.449 0.750 0.375 C 1.520 Z: 22 42.347 2.217 1.023 0.922 0.952 0.667 CA 1.522 22 residues pruned to eliminate duplicates Z: 10 8.725 2.109 0.152 0.518 0.778 0.556 CB 1.512 10 residues pruned to eliminate duplicates Z: 10 12.255 1.941 0.543 0.585 0.889 0.778 N 1.414 10 residues pruned to eliminate duplicates Z: 24 31.651 2.036 0.507 0.860 1.000 0.565 CB 1.582 21 residues pruned to eliminate duplicates Z: 22 24.011 2.132 0.385 0.902 0.952 0.905 CA 1.328 22 residues pruned to eliminate duplicates Z: 24 33.175 1.999 0.621 0.885 1.000 0.783 CB 1.541 24 residues pruned to eliminate duplicates Z: 7 8.215 2.095 -0.083 0.814 0.833 0.500 CA 1.594 7 residues pruned to eliminate duplicates Z: 38 30.719 2.148 0.582 0.519 0.919 0.622 CA 1.587 38 residues pruned to eliminate duplicates Z: 44 24.865 2.022 0.510 0.445 0.884 0.628 CA 1.488 44 residues pruned to eliminate duplicates Z: 23 37.881 2.123 0.792 0.889 0.955 0.636 CA 1.600 23 residues pruned to eliminate duplicates Z: 21 14.960 2.065 0.307 0.458 0.800 0.400 CA 1.618 18 residues pruned to eliminate duplicates Z: 18 30.081 2.158 0.529 0.932 1.000 0.882 CA 1.544 18 residues pruned to eliminate duplicates Z: 13 8.346 1.900 0.237 0.489 0.833 0.500 CB 1.245 Z: 21 29.118 2.090 0.645 0.874 1.000 0.750 CB 1.378 21 residues pruned to eliminate duplicates Z: 10 10.009 2.017 0.582 0.484 0.889 0.778 CB 1.196 12 residues pruned to eliminate duplicates Z: 11 16.551 1.818 0.449 0.901 1.000 0.900 CA 1.418 11 residues pruned to eliminate duplicates Z: 9 8.374 1.861 0.267 0.598 1.000 0.750 CA 1.143 Z: 18 25.804 2.088 0.552 0.901 1.000 0.529 CA 1.378 18 residues pruned to eliminate duplicates Z: 8 9.519 2.228 0.422 0.296 0.857 0.429 CB 1.664 8 residues pruned to eliminate duplicates Z: 18 11.999 1.909 0.531 0.356 0.882 0.588 CA 1.318 18 residues pruned to eliminate duplicates Z: 26 14.503 1.974 0.328 0.314 0.880 0.400 CA 1.545 16 residues pruned to eliminate duplicates Z: 21 29.591 2.223 0.517 0.876 0.950 0.700 CA 1.500 21 residues pruned to eliminate duplicates Z: 22 20.387 2.194 0.734 0.356 0.952 0.476 CA 1.435 22 residues pruned to eliminate duplicates Z: 16 19.350 2.072 0.446 0.850 0.867 0.667 CA 1.426 16 residues pruned to eliminate duplicates Z: 12 10.817 1.856 0.027 0.886 1.000 0.909 CA 1.234 12 residues pruned to eliminate duplicates Z: 11 14.097 2.228 0.014 0.892 1.000 1.000 CB 1.417 11 residues pruned to eliminate duplicates Z: 9 27.335 2.083 0.818 0.919 1.000 0.750 CA 1.799 9 residues pruned to eliminate duplicates Z: 12 24.809 2.065 0.910 0.892 0.909 0.727 CA 1.499 12 residues pruned to eliminate duplicates Z: 10 7.968 1.867 0.108 0.751 0.889 0.667 CB 1.155 10 residues pruned to eliminate duplicates Z: 18 27.249 2.179 0.566 0.907 0.882 0.529 CB 1.561 18 residues pruned to eliminate duplicates Z: 22 35.108 2.132 0.627 0.894 0.952 0.762 CB 1.663 22 residues pruned to eliminate duplicates Z: 9 19.367 2.146 0.495 0.896 1.000 1.000 CA 1.529 9 residues pruned to eliminate duplicates Z: 14 8.613 1.887 0.134 0.361 0.923 0.385 CA 1.406 Z: 21 29.746 2.144 0.777 0.875 0.850 0.550 CA 1.494 21 residues pruned to eliminate duplicates Z: 9 15.490 2.153 0.603 0.552 0.875 0.750 CB 1.723 9 residues pruned to eliminate duplicates Z: 11 19.960 1.834 1.003 0.813 1.000 0.600 CA 1.308 11 residues pruned to eliminate duplicates Z: 52 27.707 2.108 0.317 0.444 0.922 0.588 CA 1.606 52 residues pruned to eliminate duplicates Z: 13 10.501 2.041 0.139 0.763 0.833 0.417 CB 1.239 13 residues pruned to eliminate duplicates Z: 22 31.633 2.183 0.667 0.895 1.000 0.571 CA 1.360 22 residues pruned to eliminate duplicates Z: 17 35.448 2.195 0.971 0.906 0.875 0.812 CA 1.665 17 residues pruned to eliminate duplicates Z: 12 11.044 1.868 0.315 0.574 0.909 0.727 CB 1.389 11 residues pruned to eliminate duplicates Z: 16 15.440 1.905 0.728 0.407 0.933 0.600 CA 1.431 16 residues pruned to eliminate duplicates Z: 22 26.668 2.061 0.603 0.883 0.762 0.381 CA 1.672 23 residues pruned to eliminate duplicates Z: 27 17.556 2.046 0.435 0.402 0.923 0.462 CA 1.410 27 residues pruned to eliminate duplicates Z: 26 13.058 1.947 0.348 0.347 0.880 0.560 CA 1.334 23 residues pruned to eliminate duplicates Z: 19 28.800 2.257 0.516 0.883 0.944 0.833 CA 1.518 19 residues pruned to eliminate duplicates Z: 9 5.599 1.799 0.032 0.416 0.875 0.500 CB 1.330 9 residues pruned to eliminate duplicates Z: 18 23.926 2.147 0.599 0.831 0.941 0.588 CB 1.349 18 residues pruned to eliminate duplicates Z: 6 3.897 1.675 0.749 0.652 1.000 0.600 CB 0.517 6 residues pruned to eliminate duplicates Z: 11 5.506 1.879 0.185 0.392 0.800 0.700 CB 1.095 11 residues pruned to eliminate duplicates Z: 14 12.208 2.054 0.491 0.584 0.923 0.615 CB 1.105 14 residues pruned to eliminate duplicates Z: 11 13.697 1.809 0.817 0.800 0.900 0.600 CA 1.127 11 residues pruned to eliminate duplicates Z: 16 8.053 1.844 0.310 0.340 0.800 0.533 CB 1.282 18 residues pruned to eliminate duplicates Z: 10 11.675 1.949 0.189 0.613 1.000 0.556 CA 1.509 10 residues pruned to eliminate duplicates Z: 7 7.920 1.853 0.203 0.563 1.000 0.833 CA 1.365 7 residues pruned to eliminate duplicates Z: 11 16.312 1.817 0.728 0.798 1.000 0.700 CA 1.266 11 residues pruned to eliminate duplicates Z: 26 18.795 2.064 0.557 0.417 0.840 0.480 CA 1.520 26 residues pruned to eliminate duplicates Z: 11 11.287 2.181 0.223 0.423 1.000 0.700 CB 1.451 11 residues pruned to eliminate duplicates Z: 62 41.631 2.126 0.712 0.577 0.885 0.508 CB 1.536 62 residues pruned to eliminate duplicates Z: 13 10.044 2.139 0.277 0.408 0.750 0.667 CB 1.558 13 residues pruned to eliminate duplicates Z: 9 14.161 2.020 0.876 0.594 0.875 0.625 CA 1.380 9 residues pruned to eliminate duplicates Z: 21 26.160 1.984 0.586 0.920 1.000 0.800 CA 1.309 21 residues pruned to eliminate duplicates Z: 18 11.460 2.024 0.128 0.406 0.882 0.412 CA 1.524 18 residues pruned to eliminate duplicates Z: 6 5.940 1.528 0.625 0.860 1.000 1.000 CB 0.787 6 residues pruned to eliminate duplicates Z: 6 7.210 1.870 0.516 0.605 1.000 0.800 CA 1.029 6 residues pruned to eliminate duplicates Z: 27 13.780 2.009 0.270 0.357 0.846 0.538 CB 1.460 25 residues pruned to eliminate duplicates Z: 10 5.183 1.541 0.347 0.375 0.778 0.556 N 1.223 Z: 12 10.007 2.035 0.315 0.744 0.818 0.636 CB 1.107 12 residues pruned to eliminate duplicates Z: 8 5.974 1.712 0.466 0.372 0.857 0.571 CB 1.204 8 residues pruned to eliminate duplicates Z: 16 22.163 2.091 0.499 0.906 0.933 0.867 CA 1.391 16 residues pruned to eliminate duplicates Z: 63 27.018 2.034 0.527 0.375 0.839 0.500 CB 1.505 63 residues pruned to eliminate duplicates Z: 15 12.665 2.026 0.482 0.466 0.786 0.571 CA 1.485 15 residues pruned to eliminate duplicates Z: 8 6.640 1.946 0.410 0.447 0.857 0.571 N 1.127 Z: 21 22.379 1.985 0.423 0.904 0.950 0.850 CA 1.328 21 residues pruned to eliminate duplicates Z: 13 8.504 1.887 0.433 0.460 0.917 0.667 CB 1.033 13 residues pruned to eliminate duplicates Z: 6 4.644 1.807 0.115 0.565 0.800 0.600 CB 1.210 Z: 28 13.784 1.980 0.407 0.364 0.704 0.481 CA 1.566 26 residues pruned to eliminate duplicates Z: 13 12.040 1.921 0.554 0.769 0.667 0.333 CB 1.376 13 residues pruned to eliminate duplicates Z: 10 18.046 2.065 0.963 0.612 0.889 0.667 CA 1.501 10 residues pruned to eliminate duplicates Z: 11 14.648 2.144 0.490 0.855 0.800 0.400 CB 1.337 11 residues pruned to eliminate duplicates Z: 12 12.447 2.008 0.183 0.819 1.000 0.818 CA 1.198 12 residues pruned to eliminate duplicates Z: 9 4.138 1.557 0.328 0.166 0.875 0.375 N 1.213 9 residues pruned to eliminate duplicates Z: 10 14.634 1.830 1.032 0.572 0.889 0.889 CA 1.377 10 residues pruned to eliminate duplicates Z: 8 7.452 1.610 0.175 0.828 0.857 0.857 CB 1.308 8 residues pruned to eliminate duplicates Z: 16 19.101 2.241 0.329 0.876 0.867 0.867 CB 1.388 16 residues pruned to eliminate duplicates Z: 72 42.321 2.173 0.509 0.524 0.930 0.535 CA 1.608 72 residues pruned to eliminate duplicates Z: 11 12.136 1.926 0.566 0.569 1.000 0.600 CB 1.191 12 residues pruned to eliminate duplicates Z: 75 45.810 2.182 0.696 0.472 0.919 0.419 CA 1.611 75 residues pruned to eliminate duplicates Z: 34 27.673 2.029 0.585 0.685 0.939 0.455 CA 1.346 34 residues pruned to eliminate duplicates Z: 13 12.421 1.971 0.455 0.357 0.917 0.667 CB 1.591 Z: 24 12.879 1.980 0.397 0.390 0.913 0.478 CB 1.195 24 residues pruned to eliminate duplicates Z: 13 8.817 1.967 0.544 0.312 0.833 0.500 CB 1.238 12 residues pruned to eliminate duplicates Z: 21 19.655 2.120 0.676 0.440 0.950 0.600 CB 1.384 21 residues pruned to eliminate duplicates Z: 19 12.029 1.938 0.437 0.292 0.833 0.389 CA 1.543 19 residues pruned to eliminate duplicates Z: 58 34.390 2.058 0.596 0.549 0.895 0.561 CA 1.477 58 residues pruned to eliminate duplicates Z: 22 19.583 2.153 0.434 0.520 0.857 0.667 CB 1.584 21 residues pruned to eliminate duplicates Z: 18 25.566 2.237 0.438 0.877 0.941 0.765 CB 1.487 18 residues pruned to eliminate duplicates Z: 11 18.170 2.078 0.569 0.870 0.900 0.900 CB 1.429 11 residues pruned to eliminate duplicates Z: 44 26.836 2.029 0.581 0.450 0.907 0.558 CA 1.481 40 residues pruned to eliminate duplicates Z: 24 13.491 1.992 0.199 0.492 0.870 0.652 CA 1.365 24 residues pruned to eliminate duplicates Z: 20 24.324 2.050 0.533 0.889 1.000 0.684 CA 1.278 20 residues pruned to eliminate duplicates Z: 14 11.704 2.037 0.220 0.488 1.000 0.538 CB 1.322 14 residues pruned to eliminate duplicates Z: 9 3.061 1.547 0.379 0.400 0.750 0.625 CB 0.752 6 residues pruned to eliminate duplicates Z: 39 23.012 2.061 0.399 0.483 0.921 0.579 CA 1.431 39 residues pruned to eliminate duplicates Z: 39 29.683 2.101 0.488 0.498 0.974 0.579 CA 1.585 39 residues pruned to eliminate duplicates Z: 10 13.918 1.910 0.694 0.878 0.889 0.889 CA 1.172 10 residues pruned to eliminate duplicates Z: 24 15.266 2.033 0.383 0.415 0.870 0.565 CB 1.422 24 residues pruned to eliminate duplicates Z: 24 35.577 2.007 0.716 0.868 1.000 0.696 CA 1.575 24 residues pruned to eliminate duplicates Z: 10 9.746 1.864 0.710 0.830 0.778 0.556 CB 0.986 10 residues pruned to eliminate duplicates Z: 10 7.632 1.924 0.308 0.340 0.778 0.556 CB 1.547 10 residues pruned to eliminate duplicates Z: 31 17.466 2.024 0.493 0.381 0.800 0.467 CA 1.496 31 residues pruned to eliminate duplicates Z: 6 3.140 1.418 0.086 0.494 0.800 0.400 CB 1.147 6 residues pruned to eliminate duplicates Z: 23 18.659 2.007 0.503 0.611 0.909 0.727 CA 1.305 23 residues pruned to eliminate duplicates Z: 11 7.235 1.902 0.290 0.528 0.800 0.600 CB 1.134 11 residues pruned to eliminate duplicates Z: 54 37.624 2.174 0.554 0.571 0.925 0.547 CA 1.545 54 residues pruned to eliminate duplicates Z: 23 31.480 2.021 0.474 0.902 1.000 0.682 CA 1.606 23 residues pruned to eliminate duplicates Z: 16 27.509 2.162 0.856 0.872 0.867 0.333 CA 1.488 16 residues pruned to eliminate duplicates Z: 87 51.130 2.193 0.656 0.503 0.919 0.477 CA 1.648 87 residues pruned to eliminate duplicates Z: 29 20.412 1.879 0.342 0.695 0.857 0.607 CB 1.493 29 residues pruned to eliminate duplicates Z: 28 16.810 1.941 0.487 0.450 0.889 0.593 CA 1.327 28 residues pruned to eliminate duplicates Z: 11 15.405 1.907 0.392 0.888 1.000 0.900 CB 1.322 11 residues pruned to eliminate duplicates Z: 25 18.471 2.033 0.476 0.454 0.833 0.583 CB 1.581 25 residues pruned to eliminate duplicates Z: 23 11.903 1.904 0.290 0.407 0.909 0.545 CB 1.253 23 residues pruned to eliminate duplicates Z: 8 6.271 1.676 0.395 0.339 0.857 0.714 CA 1.409 Z: 11 9.419 1.971 0.569 0.434 0.800 0.700 CB 1.289 12 residues pruned to eliminate duplicates Z: 11 29.511 2.196 0.856 0.870 1.000 0.800 CA 1.671 11 residues pruned to eliminate duplicates Z: 7 3.524 1.588 0.195 0.421 0.833 0.333 CA 0.989 6 residues pruned to eliminate duplicates 6 1.957 1.549 0.464 0.601 1.000 0.800 CB 0.351 ? Z: 18 27.964 2.233 0.534 0.892 0.941 0.765 CB 1.510 18 residues pruned to eliminate duplicates 6 1.703 1.674 -0.076 0.393 0.800 0.400 N 0.689 ? Z: 7 3.928 1.668 0.143 0.495 0.833 0.667 CB 1.014 Z: 7 7.249 1.692 0.435 0.486 1.000 0.667 CB 1.235 Z: 25 28.236 2.190 0.671 0.651 0.833 0.458 CA 1.642 25 residues pruned to eliminate duplicates Z: 24 21.823 2.126 0.670 0.460 0.826 0.565 CA 1.616 23 residues pruned to eliminate duplicates Z: 20 14.362 2.104 0.357 0.441 0.895 0.684 CB 1.371 20 residues pruned to eliminate duplicates Z: 20 27.918 1.973 0.768 0.903 1.000 0.632 CA 1.308 20 residues pruned to eliminate duplicates Z: 12 6.138 1.528 0.524 0.420 0.818 0.636 CA 1.057 11 residues pruned to eliminate duplicates Z: 11 17.323 2.019 0.652 0.826 0.900 0.500 CB 1.376 11 residues pruned to eliminate duplicates Z: 14 9.554 1.806 0.444 0.477 0.769 0.538 CB 1.353 14 residues pruned to eliminate duplicates Z: 39 22.724 2.076 0.410 0.435 0.921 0.526 CA 1.463 39 residues pruned to eliminate duplicates Z: 10 6.792 1.902 0.301 0.516 0.667 0.667 CA 1.351 9 residues pruned to eliminate duplicates Z: 10 9.155 1.985 0.347 0.426 0.889 0.667 CB 1.386 10 residues pruned to eliminate duplicates Z: 70 46.261 2.112 0.680 0.580 0.942 0.522 CA 1.543 70 residues pruned to eliminate duplicates Z: 12 6.358 1.740 0.420 0.484 0.818 0.727 CB 0.964 Z: 8 2.416 1.347 0.383 0.275 0.571 0.429 CA 1.107 4 residues pruned to eliminate duplicates Z: 12 9.663 1.873 0.166 0.498 0.818 0.636 N 1.635 12 residues pruned to eliminate duplicates Z: 10 7.075 1.918 0.510 0.295 0.667 0.556 N 1.537 9 residues pruned to eliminate duplicates Z: 6 5.685 1.668 0.328 0.631 0.800 0.800 C 1.268 Z: 6 4.428 1.602 -0.069 0.490 1.000 0.400 O 1.341 Z: 17 11.964 2.028 0.282 0.417 0.875 0.625 CB 1.434 17 residues pruned to eliminate duplicates Z: 14 11.851 1.992 0.229 0.569 0.923 0.769 CB 1.360 14 residues pruned to eliminate duplicates Z: 29 14.581 1.902 0.562 0.278 0.857 0.536 CB 1.392 25 residues pruned to eliminate duplicates Z: 9 5.736 1.618 0.367 0.461 0.750 0.375 N 1.272 Z: 81 39.387 2.117 0.556 0.426 0.900 0.425 CB 1.605 81 residues pruned to eliminate duplicates Z: 32 26.988 2.138 0.572 0.515 0.968 0.806 CA 1.467 32 residues pruned to eliminate duplicates Z: 16 20.688 2.133 0.288 0.898 1.000 0.733 CA 1.390 16 residues pruned to eliminate duplicates Z: 23 28.157 2.032 0.319 0.896 1.000 0.773 CA 1.604 23 residues pruned to eliminate duplicates Z: 22 10.167 1.958 0.501 0.204 0.762 0.286 CB 1.407 22 residues pruned to eliminate duplicates Z: 18 11.783 1.894 0.306 0.390 0.824 0.471 CB 1.576 18 residues pruned to eliminate duplicates Z: 15 9.682 1.867 0.164 0.344 0.929 0.500 CB 1.520 13 residues pruned to eliminate duplicates Z: 22 22.201 1.932 0.578 0.858 0.952 0.571 CA 1.229 22 residues pruned to eliminate duplicates Z: 32 24.453 2.076 0.607 0.394 0.903 0.645 CA 1.631 32 residues pruned to eliminate duplicates Z: 15 18.009 2.165 0.349 0.773 0.857 0.714 CA 1.510 15 residues pruned to eliminate duplicates Z: 24 18.534 2.046 0.311 0.560 0.957 0.609 CB 1.421 24 residues pruned to eliminate duplicates Z: 12 5.999 1.857 0.119 0.377 0.727 0.455 CB 1.365 11 residues pruned to eliminate duplicates Z: 26 22.928 2.086 0.488 0.550 1.000 0.680 CB 1.407 26 residues pruned to eliminate duplicates Z: 7 3.885 1.549 0.096 0.588 0.833 0.667 CB 1.031 Z: 17 11.721 1.855 0.720 0.325 0.750 0.312 CA 1.485 17 residues pruned to eliminate duplicates Z: 45 26.095 2.012 0.535 0.415 0.909 0.523 CB 1.531 45 residues pruned to eliminate duplicates Z: 24 14.484 2.005 0.318 0.349 0.826 0.565 CA 1.629 27 residues pruned to eliminate duplicates Z: 11 8.997 2.213 0.573 0.384 0.800 0.500 CB 1.156 11 residues pruned to eliminate duplicates Z: 14 14.410 2.016 0.392 0.513 0.923 0.846 CB 1.523 14 residues pruned to eliminate duplicates Z: 23 22.788 2.142 0.557 0.513 0.909 0.591 CB 1.582 28 residues pruned to eliminate duplicates Z: 7 4.742 1.619 0.878 0.846 1.000 0.833 CB 0.473 Z: 16 7.500 1.609 0.196 0.413 0.867 0.667 CB 1.271 12 residues pruned to eliminate duplicates Z: 6 9.050 1.861 1.088 0.651 0.800 0.600 CA 1.132 6 residues pruned to eliminate duplicates Z: 23 28.877 1.979 0.534 0.858 1.000 0.636 CA 1.494 23 residues pruned to eliminate duplicates Z: 17 22.869 2.199 0.460 0.834 0.938 0.750 CB 1.424 17 residues pruned to eliminate duplicates Z: 11 12.436 2.053 0.518 0.811 0.900 0.700 CB 1.069 11 residues pruned to eliminate duplicates Z: 11 7.626 1.967 0.217 0.395 0.900 0.500 CB 1.251 11 residues pruned to eliminate duplicates Z: 10 8.732 1.647 0.690 0.463 0.889 0.667 N 1.222 11 residues pruned to eliminate duplicates Z: 11 6.278 1.762 0.444 0.409 0.800 0.500 CA 1.073 Z: 8 5.473 1.637 0.148 0.674 0.714 0.429 N 1.313 Z: 11 17.926 2.084 0.246 0.903 1.000 0.900 CA 1.555 11 residues pruned to eliminate duplicates Z: 8 9.232 1.891 0.445 0.775 0.714 0.286 CB 1.402 8 residues pruned to eliminate duplicates Z: 6 6.713 1.735 0.703 0.640 0.800 0.600 CA 1.114 6 residues pruned to eliminate duplicates Z: 8 2.978 1.746 0.136 0.587 0.714 0.714 CB 0.732 8 residues pruned to eliminate duplicates Z: 23 13.793 1.957 0.332 0.483 0.864 0.591 CB 1.328 23 residues pruned to eliminate duplicates Z: 21 26.507 1.988 0.706 0.879 1.000 0.700 CA 1.268 21 residues pruned to eliminate duplicates Z: 9 17.299 1.920 0.824 0.832 1.000 0.750 CB 1.311 9 residues pruned to eliminate duplicates Z: 7 3.407 1.387 0.652 0.379 0.667 0.333 CA 1.035 Z: 9 9.298 1.900 0.477 0.517 0.750 0.625 CB 1.536 9 residues pruned to eliminate duplicates Z: 18 20.214 2.097 0.662 0.573 0.824 0.647 CA 1.592 18 residues pruned to eliminate duplicates Z: 9 8.285 1.982 0.154 0.496 1.000 0.875 CB 1.286 9 residues pruned to eliminate duplicates Z: 15 8.466 1.734 0.612 0.454 0.857 0.429 CB 0.989 4 residues pruned to eliminate duplicates Z: 6 4.926 1.686 0.179 0.496 0.800 0.800 CA 1.390 6 residues pruned to eliminate duplicates Z: 6 2.025 1.290 0.472 0.297 0.600 0.400 CB 0.996 Z: 13 13.429 1.980 0.391 0.489 0.917 0.750 CB 1.553 13 residues pruned to eliminate duplicates Z: 21 14.327 2.058 0.401 0.512 0.800 0.600 CB 1.373 21 residues pruned to eliminate duplicates Z: 14 11.814 1.964 0.612 0.387 1.000 0.769 CA 1.166 25 residues pruned to eliminate duplicates Z: 15 9.033 1.794 0.437 0.484 0.857 0.500 CA 1.111 15 residues pruned to eliminate duplicates Z: 21 13.787 1.749 0.678 0.528 0.850 0.400 CB 1.202 11 residues pruned to eliminate duplicates Z: 13 6.308 1.621 0.500 0.294 0.833 0.500 CB 1.132 Z: 12 6.794 1.679 0.460 0.445 0.818 0.455 CB 1.080 12 residues pruned to eliminate duplicates Z: 6 5.473 1.545 0.116 0.675 1.000 0.800 CA 1.209 7 residues pruned to eliminate duplicates Z: 6 4.392 1.685 0.044 0.598 0.800 0.400 CA 1.272 Z: 11 12.656 1.934 0.654 0.527 1.000 0.500 CB 1.218 11 residues pruned to eliminate duplicates Z: 25 16.696 2.043 0.528 0.434 0.917 0.625 CB 1.275 28 residues pruned to eliminate duplicates Z: 16 14.524 1.841 0.325 0.496 0.933 0.667 CA 1.654 16 residues pruned to eliminate duplicates Z: 16 6.308 1.755 0.369 0.268 0.867 0.200 CB 1.018 11 residues pruned to eliminate duplicates Z: 21 40.623 2.211 0.974 0.926 1.000 0.500 CA 1.459 21 residues pruned to eliminate duplicates Z: 6 3.798 1.469 -0.206 0.790 1.000 0.800 N 1.129 Z: 7 4.456 1.439 0.238 0.592 1.000 0.500 CB 0.935 Z: 9 5.128 1.622 0.474 0.261 0.875 0.500 CB 1.138 9 residues pruned to eliminate duplicates Z: 37 24.589 2.121 0.473 0.455 0.889 0.556 CA 1.546 37 residues pruned to eliminate duplicates Z: 7 4.920 1.595 0.050 0.798 1.000 0.833 CA 0.924 Z: 14 19.917 2.038 0.417 0.901 1.000 0.615 CB 1.365 14 residues pruned to eliminate duplicates Z: 25 16.824 2.061 0.492 0.508 0.875 0.458 CB 1.267 25 residues pruned to eliminate duplicates Z: 6 3.217 1.684 0.007 0.353 0.800 0.200 N 1.242 6 residues pruned to eliminate duplicates Z: 21 38.494 2.243 0.839 0.902 0.950 0.450 CA 1.567 21 residues pruned to eliminate duplicates Z: 10 11.883 1.922 0.391 0.433 1.000 0.556 CB 1.589 10 residues pruned to eliminate duplicates Z: 8 3.895 1.662 0.425 0.397 0.714 0.429 CA 0.971 Z: 11 2.860 1.560 0.178 0.124 0.700 0.200 CB 1.126 Z: 8 7.275 1.750 0.314 0.486 0.857 0.429 N 1.415 8 residues pruned to eliminate duplicates Z: 21 31.944 2.153 0.624 0.896 0.950 0.800 CB 1.540 21 residues pruned to eliminate duplicates Z: 7 3.378 1.156 0.244 0.633 0.833 0.500 C 1.016 Z: 12 9.154 1.856 0.447 0.429 1.000 0.455 CB 1.107 12 residues pruned to eliminate duplicates Z: 6 3.345 1.635 0.019 0.620 1.000 0.600 CB 0.801 6 residues pruned to eliminate duplicates Z: 8 8.157 1.690 0.623 0.595 1.000 0.714 CB 1.027 8 residues pruned to eliminate duplicates Z: 16 6.441 1.727 0.160 0.305 0.867 0.533 CB 1.190 16 residues pruned to eliminate duplicates Z: 11 7.032 1.773 0.975 0.368 0.800 0.600 CB 0.915 11 residues pruned to eliminate duplicates Z: 19 13.520 2.044 0.268 0.493 0.778 0.500 CA 1.592 19 residues pruned to eliminate duplicates Z: 31 33.862 2.216 0.635 0.649 0.933 0.433 CA 1.590 31 residues pruned to eliminate duplicates Z: 7 3.282 1.835 0.110 0.396 0.667 0.500 CB 1.102 Z: 8 4.119 1.703 0.918 0.373 0.857 0.429 CA 0.636 7 residues pruned to eliminate duplicates Z: 7 4.337 1.623 0.345 0.402 0.667 0.333 CB 1.350 7 residues pruned to eliminate duplicates Z: 7 4.624 1.516 0.534 0.466 0.833 0.500 N 1.009 7 residues pruned to eliminate duplicates Z: 26 15.902 2.021 0.432 0.374 0.840 0.640 CA 1.496 26 residues pruned to eliminate duplicates Z: 21 18.035 2.020 0.534 0.476 1.000 0.600 CB 1.333 21 residues pruned to eliminate duplicates 6 1.610 1.614 -0.026 0.100 0.600 0.400 O 1.272 ? Z: 25 16.542 2.051 0.443 0.404 0.917 0.500 CB 1.376 25 residues pruned to eliminate duplicates Z: 7 4.045 1.602 0.030 0.565 1.000 0.667 CB 0.940 7 residues pruned to eliminate duplicates Z: 29 14.969 1.898 0.510 0.396 0.929 0.393 CB 1.186 26 residues pruned to eliminate duplicates Z: 6 2.689 1.485 0.377 0.303 0.600 0.600 C 1.221 Z: 11 6.799 1.917 0.172 0.418 0.800 0.500 CB 1.303 18 residues pruned to eliminate duplicates Z: 66 41.809 2.116 0.575 0.580 0.923 0.677 CB 1.560 77 residues pruned to eliminate duplicates Z: 35 32.443 2.004 0.553 0.709 0.912 0.676 CA 1.621 35 residues pruned to eliminate duplicates Z: 25 9.666 1.732 0.309 0.268 0.875 0.458 CA 1.295 26 residues pruned to eliminate duplicates Z: 10 4.722 1.718 0.376 0.372 0.667 0.444 CB 1.146 8 residues pruned to eliminate duplicates Z: 15 7.888 1.968 0.223 0.288 0.786 0.429 CA 1.416 15 residues pruned to eliminate duplicates Z: 12 14.014 2.062 0.608 0.800 0.909 0.545 CB 1.078 12 residues pruned to eliminate duplicates Z: 17 17.734 1.905 0.478 0.886 1.000 0.688 CA 1.136 17 residues pruned to eliminate duplicates Z: 15 10.294 1.884 0.623 0.419 0.714 0.643 CA 1.371 15 residues pruned to eliminate duplicates Z: 18 28.190 2.078 0.742 0.899 1.000 0.471 CA 1.350 18 residues pruned to eliminate duplicates Z: 13 8.949 1.869 0.567 0.346 0.750 0.333 CA 1.389 13 residues pruned to eliminate duplicates Z: 6 5.377 1.878 0.492 0.695 0.800 0.800 CA 0.898 6 residues pruned to eliminate duplicates Z: 38 26.938 2.114 0.568 0.481 0.919 0.514 CA 1.483 38 residues pruned to eliminate duplicates Z: 19 24.952 2.034 0.524 0.873 1.000 0.833 CB 1.382 19 residues pruned to eliminate duplicates Z: 6 4.721 1.806 0.480 0.506 0.800 0.600 CA 0.981 6 residues pruned to eliminate duplicates Z: 7 4.080 1.630 0.389 0.270 0.667 0.167 CA 1.435 Z: 9 7.694 2.079 0.373 0.593 0.875 0.625 CB 0.997 9 residues pruned to eliminate duplicates Z: 12 2.796 1.446 0.261 0.341 0.818 0.364 CB 0.672 Z: 6 2.223 1.285 0.701 0.588 1.000 0.800 CB 0.418 Z: 17 10.822 1.923 0.546 0.319 0.750 0.375 CA 1.481 17 residues pruned to eliminate duplicates Z: 9 3.547 1.655 0.181 0.491 0.750 0.375 CB 0.863 6 residues pruned to eliminate duplicates Z: 7 3.580 1.682 0.162 0.599 0.833 0.667 CB 0.817 Z: 6 2.037 1.789 0.235 0.139 0.600 0.200 CB 1.075 Z: 11 3.813 1.778 0.173 0.382 0.700 0.500 CB 0.936 11 residues pruned to eliminate duplicates Z: 12 10.652 1.976 0.321 0.431 0.909 0.636 N 1.454 12 residues pruned to eliminate duplicates Z: 6 3.889 1.385 0.355 0.361 1.000 0.400 CB 1.076 6 residues pruned to eliminate duplicates Z: 12 11.173 1.906 0.428 0.429 0.818 0.545 CA 1.629 12 residues pruned to eliminate duplicates Z: 20 10.861 1.793 0.268 0.444 0.895 0.632 CA 1.298 20 residues pruned to eliminate duplicates Z: 8 5.817 1.915 0.008 0.284 1.000 0.571 CB 1.452 8 residues pruned to eliminate duplicates Z: 34 23.658 1.974 0.570 0.676 0.879 0.697 CB 1.287 34 residues pruned to eliminate duplicates Z: 17 12.139 1.916 0.425 0.385 0.938 0.688 CB 1.339 17 residues pruned to eliminate duplicates Z: 26 15.332 2.003 0.492 0.454 0.840 0.600 CB 1.279 26 residues pruned to eliminate duplicates Z: 7 4.466 1.595 0.195 0.465 0.833 0.500 CA 1.189 7 residues pruned to eliminate duplicates Z: 18 7.488 1.789 0.240 0.350 0.882 0.529 CB 1.091 18 residues pruned to eliminate duplicates Z: 7 3.214 1.731 0.332 0.597 0.667 0.667 CB 0.778 Z: 11 11.574 2.163 0.321 0.439 1.000 0.700 CB 1.364 12 residues pruned to eliminate duplicates 6 1.710 1.267 0.245 0.426 0.800 0.600 CB 0.655 ? Z: 24 17.172 2.015 0.395 0.526 0.913 0.609 CA 1.360 24 residues pruned to eliminate duplicates Z: 10 7.682 1.932 0.667 0.476 0.778 0.556 CB 1.047 Z: 56 31.027 2.082 0.391 0.558 0.891 0.491 CB 1.533 56 residues pruned to eliminate duplicates Z: 20 13.587 2.102 0.368 0.473 0.895 0.526 CB 1.245 20 residues pruned to eliminate duplicates Z: 6 7.849 1.728 0.056 0.863 1.000 0.800 CB 1.412 5 residues pruned to eliminate duplicates Z: 27 23.822 2.021 0.568 0.680 0.962 0.808 CA 1.299 27 residues pruned to eliminate duplicates Z: 13 9.942 2.087 0.311 0.366 0.917 0.750 CB 1.321 13 residues pruned to eliminate duplicates Z: 6 4.750 1.349 0.570 0.556 1.000 0.600 CB 0.950 Z: 6 3.664 1.572 0.048 0.332 1.000 0.600 N 1.196 Z: 20 17.153 1.807 0.583 0.612 0.842 0.526 CB 1.469 16 residues pruned to eliminate duplicates Z: 27 13.926 1.999 0.417 0.362 0.769 0.385 CB 1.454 27 residues pruned to eliminate duplicates Z: 20 21.541 2.070 0.718 0.476 0.895 0.579 CA 1.591 20 residues pruned to eliminate duplicates Z: 38 25.594 1.998 0.471 0.654 0.946 0.622 CA 1.311 38 residues pruned to eliminate duplicates Z: 7 2.735 1.569 -0.083 0.483 0.667 0.333 CB 1.183 6 residues pruned to eliminate duplicates Z: 17 24.800 1.925 0.742 0.925 0.938 0.688 CA 1.384 17 residues pruned to eliminate duplicates Z: 24 19.575 2.063 0.425 0.527 0.870 0.652 CB 1.554 24 residues pruned to eliminate duplicates Z: 11 9.710 1.776 0.256 0.608 1.000 0.800 CB 1.242 11 residues pruned to eliminate duplicates Z: 20 7.010 1.648 0.247 0.468 0.737 0.526 N 1.098 20 residues pruned to eliminate duplicates Z: 13 13.823 2.022 0.443 0.470 1.000 0.583 CA 1.410 13 residues pruned to eliminate duplicates Z: 9 5.160 1.985 0.258 0.458 0.875 0.750 CB 0.872 5 residues pruned to eliminate duplicates Z: 7 2.913 1.856 -0.285 0.668 0.833 0.667 CB 0.921 Z: 6 5.333 1.389 0.937 0.626 0.800 0.800 N 0.984 Z: 17 6.478 1.690 0.290 0.254 0.812 0.688 CB 1.212 14 residues pruned to eliminate duplicates Z: 6 3.111 1.399 0.579 0.542 0.800 0.800 CB 0.756 6 residues pruned to eliminate duplicates Z: 49 34.908 2.201 0.506 0.510 0.917 0.625 CA 1.642 49 residues pruned to eliminate duplicates Z: 23 31.519 2.047 0.520 0.902 1.000 0.682 CB 1.541 23 residues pruned to eliminate duplicates Z: 38 21.203 2.085 0.446 0.464 0.919 0.622 CA 1.305 38 residues pruned to eliminate duplicates 6 1.879 1.386 0.233 0.458 0.800 0.400 N 0.641 ? Z: 6 2.961 1.247 0.743 0.804 0.800 0.600 CA 0.584 8 residues pruned to eliminate duplicates Z: 12 13.465 2.008 0.164 0.575 1.000 0.636 CA 1.616 13 residues pruned to eliminate duplicates Z: 6 8.367 1.580 0.282 0.829 1.000 0.800 CA 1.390 6 residues pruned to eliminate duplicates Z: 6 2.155 1.501 -0.365 0.457 1.000 0.400 N 1.057 Z: 11 7.351 1.679 -0.021 0.791 1.000 0.700 CB 1.095 9 residues pruned to eliminate duplicates Z: 6 2.195 1.458 -0.053 0.274 0.800 0.200 C 1.148 Z: 7 4.606 1.528 0.538 0.644 0.833 0.667 CB 0.839 Z: 37 28.211 2.116 0.435 0.518 0.944 0.667 CA 1.610 37 residues pruned to eliminate duplicates Z: 18 25.862 2.139 0.758 0.907 0.941 0.765 CB 1.259 18 residues pruned to eliminate duplicates Z: 12 10.244 1.816 0.291 0.537 1.000 0.636 CB 1.270 12 residues pruned to eliminate duplicates Z: 6 4.186 1.489 0.440 0.470 0.800 0.600 CB 1.125 6 residues pruned to eliminate duplicates Z: 6 6.309 1.607 0.770 0.562 0.800 0.200 CB 1.168 6 residues pruned to eliminate duplicates Z: 17 32.442 2.061 0.998 0.929 1.000 0.688 CA 1.379 17 residues pruned to eliminate duplicates Z: 7 2.549 1.326 0.228 0.429 0.833 0.500 CB 0.825 4 residues pruned to eliminate duplicates Z: 8 3.253 1.474 0.342 0.407 0.857 0.286 O 0.800 Z: 16 5.872 1.473 0.539 0.303 0.733 0.333 CB 1.136 16 residues pruned to eliminate duplicates Z: 12 15.867 2.064 0.568 0.548 1.000 0.545 CB 1.410 12 residues pruned to eliminate duplicates Z: 14 9.200 1.932 0.129 0.397 0.846 0.462 CA 1.541 14 residues pruned to eliminate duplicates Z: 9 4.936 1.568 0.446 0.263 0.875 0.625 CB 1.153 6 1.194 1.260 0.248 0.348 0.600 0.600 N 0.668 ? 6 1.360 1.079 0.210 0.299 0.800 0.400 C 0.729 ? Z: 15 13.545 1.978 0.577 0.555 0.786 0.571 CA 1.400 15 residues pruned to eliminate duplicates Z: 27 12.422 1.857 0.406 0.344 0.808 0.577 CA 1.370 27 residues pruned to eliminate duplicates Z: 20 12.958 1.948 0.223 0.441 0.895 0.526 CB 1.482 20 residues pruned to eliminate duplicates Z: 23 17.937 2.006 0.518 0.457 0.955 0.818 CA 1.376 23 residues pruned to eliminate duplicates Z: 8 3.977 1.324 1.003 0.452 0.714 0.714 CA 0.834 Z: 21 20.397 1.889 0.457 0.859 1.000 0.650 CB 1.220 21 residues pruned to eliminate duplicates Z: 6 2.861 1.411 0.194 0.508 0.800 0.400 N 0.942 Z: 25 12.468 1.901 0.431 0.384 0.875 0.458 CA 1.209 25 residues pruned to eliminate duplicates Z: 6 3.232 1.287 0.092 0.537 1.000 0.600 CB 0.992 Z: 19 38.073 2.144 0.905 0.899 1.000 0.444 CA 1.571 19 residues pruned to eliminate duplicates 7 1.968 1.304 -0.154 0.512 0.833 0.500 CB 0.863 ? Z: 17 10.472 1.825 0.581 0.352 0.812 0.562 CA 1.311 17 residues pruned to eliminate duplicates Z: 82 42.782 2.110 0.519 0.561 0.926 0.593 CA 1.509 83 residues pruned to eliminate duplicates 6 1.627 1.305 -0.099 0.432 1.000 0.800 C 0.664 ? Z: 12 11.526 1.945 0.580 0.510 0.909 0.636 CA 1.231 12 residues pruned to eliminate duplicates Z: 14 4.939 1.725 0.057 0.381 0.846 0.462 CB 1.007 14 residues pruned to eliminate duplicates Z: 27 16.656 2.036 0.504 0.370 0.846 0.462 CB 1.449 27 residues pruned to eliminate duplicates 6 1.768 1.434 0.202 0.279 0.600 0.400 CB 0.982 ? 6 1.712 1.570 -0.068 0.232 0.600 0.400 CA 1.191 ? Z: 12 4.422 1.551 -0.053 0.429 0.909 0.364 CA 1.076 Z: 7 2.670 1.357 0.321 0.311 0.833 0.667 CB 0.899 Z: 8 8.045 1.366 0.770 0.805 0.857 0.571 CB 1.124 Z: 10 4.463 1.571 0.728 0.174 0.778 0.667 CB 1.046 10 residues pruned to eliminate duplicates Z: 7 3.384 1.569 -0.081 0.443 0.833 0.500 CB 1.219 6 residues pruned to eliminate duplicates Z: 6 2.626 1.841 -0.069 0.375 0.800 0.600 CB 0.978 6 residues pruned to eliminate duplicates Z: 10 12.325 2.001 0.411 0.750 0.889 0.667 CB 1.309 10 residues pruned to eliminate duplicates Z: 9 5.696 1.553 0.507 0.596 0.875 0.750 CB 0.897 9 residues pruned to eliminate duplicates Z: 6 4.512 1.473 0.984 0.746 1.000 0.800 CB 0.554 7 1.585 1.523 0.654 0.093 0.667 0.667 CA 0.649 ? Z: 38 26.454 2.097 0.539 0.493 0.919 0.676 CA 1.476 38 residues pruned to eliminate duplicates Z: 8 2.521 1.442 -0.112 0.413 0.857 0.571 O 0.951 8 residues pruned to eliminate duplicates Z: 8 7.679 1.632 0.680 0.480 0.857 0.714 CA 1.261 8 residues pruned to eliminate duplicates Z: 11 14.702 1.781 0.773 0.875 0.800 0.400 CB 1.338 11 residues pruned to eliminate duplicates Z: 9 3.344 1.601 0.250 0.324 0.750 0.500 N 0.957 Z: 10 11.634 1.992 0.484 0.602 0.889 0.556 CB 1.340 14 residues pruned to eliminate duplicates Z: 25 14.035 2.016 0.402 0.428 0.875 0.542 CB 1.249 25 residues pruned to eliminate duplicates 8 1.158 1.536 0.700 0.136 0.429 0.286 CB 0.615 ? Z: 18 9.747 1.825 0.275 0.490 0.882 0.588 CB 1.163 18 residues pruned to eliminate duplicates Z: 8 2.312 1.215 0.499 0.226 0.857 0.286 N 0.771 Z: 17 7.918 1.928 -0.054 0.460 0.875 0.312 CB 1.292 17 residues pruned to eliminate duplicates Z: 20 22.869 2.134 0.602 0.553 0.895 0.737 CB 1.628 20 residues pruned to eliminate duplicates Z: 18 7.773 1.926 0.025 0.291 0.824 0.471 CB 1.465 18 residues pruned to eliminate duplicates Z: 6 2.728 1.370 0.215 0.326 0.800 0.600 CB 1.109 Z: 6 3.609 1.337 -0.013 0.806 1.000 0.800 CA 0.936 Z: 14 9.501 1.811 0.401 0.397 0.846 0.538 CA 1.369 14 residues pruned to eliminate duplicates Z: 10 7.986 1.737 0.094 0.566 1.000 0.444 CB 1.315 Z: 18 14.651 1.957 0.363 0.424 0.941 0.765 CA 1.532 18 residues pruned to eliminate duplicates Z: 9 2.287 1.242 0.316 0.218 1.000 0.500 CA 0.689 Z: 6 3.242 1.511 0.027 0.786 0.800 0.600 CB 0.908 6 residues pruned to eliminate duplicates Z: 6 3.948 1.626 0.869 0.602 0.800 0.600 N 0.659 6 residues pruned to eliminate duplicates 6 1.027 1.248 0.092 0.297 0.600 0.400 CB 0.704 ? Z: 23 10.401 1.897 0.272 0.383 0.864 0.636 CA 1.205 26 residues pruned to eliminate duplicates 8 1.823 1.356 0.112 0.317 0.857 0.429 CB 0.653 ? Z: 25 21.277 2.028 0.799 0.528 0.875 0.500 CB 1.323 25 residues pruned to eliminate duplicates Z: 9 6.739 1.509 0.188 0.595 1.000 0.625 CB 1.213 9 residues pruned to eliminate duplicates Z: 16 9.127 1.775 0.438 0.403 0.800 0.267 CB 1.278 16 residues pruned to eliminate duplicates Z: 11 5.552 1.758 0.314 0.392 0.900 0.600 CB 0.947 11 residues pruned to eliminate duplicates Z: 8 4.120 1.419 0.248 0.458 0.857 0.571 CB 1.070 Z: 10 3.528 1.543 0.175 0.327 0.778 0.556 CB 1.009 7 residues pruned to eliminate duplicates Z: 8 2.838 1.435 0.314 0.269 0.857 0.286 CB 0.863 Z: 7 4.313 1.355 0.586 0.496 0.833 0.500 CA 0.987 Z: 15 6.550 1.846 0.469 0.287 0.643 0.214 CB 1.277 15 residues pruned to eliminate duplicates Z: 18 18.516 2.122 0.409 0.868 0.882 0.471 CB 1.244 18 residues pruned to eliminate duplicates Z: 9 9.513 1.570 0.892 0.548 0.875 0.750 CA 1.235 9 residues pruned to eliminate duplicates Z: 6 5.382 1.389 0.681 0.622 1.000 0.800 CB 0.918 6 residues pruned to eliminate duplicates Z: 7 2.957 1.484 0.021 0.390 0.833 0.500 C 1.075 Z: 14 14.574 2.103 0.516 0.388 0.923 0.308 CA 1.547 14 residues pruned to eliminate duplicates Z: 6 2.073 1.238 0.371 0.298 0.800 0.600 C 0.855 Z: 7 2.803 1.368 0.209 0.309 0.833 0.667 C 1.026 Z: 16 10.802 1.939 0.457 0.313 0.867 0.400 CA 1.400 16 residues pruned to eliminate duplicates Z: 23 29.095 2.025 0.612 0.899 0.909 0.545 CB 1.494 26 residues pruned to eliminate duplicates Z: 6 3.099 1.329 0.364 0.434 1.000 0.600 CB 0.819 Using tripeptides from previous cycle as seeds Z: 8 3.387 1.827 -0.217 0.670 0.857 0.571 CB 0.892 8 residues pruned to eliminate duplicates Z: 6 4.735 1.901 -0.040 0.401 0.800 0.400 CB 1.610 7 residues pruned to eliminate duplicates Z: 8 4.220 1.422 0.612 0.439 0.857 0.429 CA 0.864 Z: 6 4.954 1.827 0.579 0.463 1.000 0.400 CB 0.797 5 residues pruned to eliminate duplicates Z: 11 10.124 1.865 0.284 0.533 0.900 0.600 CA 1.437 10 residues pruned to eliminate duplicates Z: 7 6.046 1.807 0.388 0.446 0.833 0.667 CA 1.248 7 residues pruned to eliminate duplicates Z: 11 11.754 1.949 0.379 0.591 0.900 0.700 CB 1.408 11 residues pruned to eliminate duplicates Z: 13 9.227 1.824 0.544 0.442 0.917 0.417 CB 1.096 12 residues pruned to eliminate duplicates Z: 6 3.118 1.728 0.172 0.334 0.800 0.400 CA 1.032 6 residues pruned to eliminate duplicates Z: 11 12.855 1.970 0.272 0.600 1.000 0.700 CB 1.474 12 residues pruned to eliminate duplicates Z: 6 3.591 1.783 -0.070 0.367 0.800 0.400 CA 1.396 6 residues pruned to eliminate duplicates Z: 17 8.130 1.764 0.348 0.274 0.812 0.375 CA 1.359 16 residues pruned to eliminate duplicates Z: 7 5.392 1.697 0.210 0.409 1.000 0.667 CB 1.179 7 residues pruned to eliminate duplicates Z: 15 11.232 1.826 0.539 0.355 0.929 0.571 CA 1.346 16 residues pruned to eliminate duplicates Z: 6 10.036 1.653 0.724 0.645 1.000 0.400 C 1.376 6 residues pruned to eliminate duplicates Z: 6 2.658 1.538 0.140 0.353 0.800 0.400 CA 0.994 6 residues pruned to eliminate duplicates Z: 14 10.598 2.025 0.197 0.403 0.846 0.385 CA 1.587 14 residues pruned to eliminate duplicates Z: 13 12.755 1.917 0.203 0.506 1.000 0.417 CA 1.587 13 residues pruned to eliminate duplicates Z: 6 3.751 1.410 0.725 0.358 0.800 0.400 CB 1.006 6 residues pruned to eliminate duplicates Z: 14 10.357 1.897 0.236 0.431 0.846 0.385 CA 1.554 14 residues pruned to eliminate duplicates Z: 13 10.737 1.868 0.299 0.488 0.833 0.417 CA 1.552 13 residues pruned to eliminate duplicates Z: 11 9.322 1.848 0.348 0.476 0.800 0.300 CA 1.515 11 residues pruned to eliminate duplicates Z: 7 6.254 1.885 -0.094 0.541 1.000 0.667 CB 1.436 7 residues pruned to eliminate duplicates Z: 9 9.062 1.794 0.316 0.535 0.875 0.625 N 1.498 8 residues pruned to eliminate duplicates Z: 7 6.108 1.828 0.311 0.435 1.000 0.667 CB 1.113 7 residues pruned to eliminate duplicates Z: 11 4.676 1.687 0.049 0.411 0.700 0.500 CB 1.311 11 residues pruned to eliminate duplicates Z: 14 6.088 1.704 0.211 0.387 0.846 0.385 CB 1.090 14 residues pruned to eliminate duplicates Z: 11 7.865 1.845 0.083 0.497 0.900 0.500 CB 1.387 10 residues pruned to eliminate duplicates Z: 9 10.265 1.860 0.111 0.694 1.000 0.625 N 1.472 9 residues pruned to eliminate duplicates Z: 8 14.001 1.998 0.638 0.611 1.000 0.571 CA 1.456 9 residues pruned to eliminate duplicates Z: 7 14.923 2.144 0.459 0.762 1.000 0.833 CA 1.544 7 residues pruned to eliminate duplicates Z: 7 11.370 2.038 0.490 0.612 0.833 0.333 N 1.650 7 residues pruned to eliminate duplicates Z: 11 14.109 1.939 0.503 0.611 1.000 0.400 CA 1.377 8 residues pruned to eliminate duplicates Z: 7 12.419 2.060 0.510 0.590 1.000 0.667 N 1.495 7 residues pruned to eliminate duplicates Z: 11 8.184 1.985 0.204 0.488 0.800 0.500 CA 1.371 11 residues pruned to eliminate duplicates Z: 8 7.781 1.780 0.319 0.406 1.000 0.714 CA 1.382 7 residues pruned to eliminate duplicates Z: 8 7.452 1.627 0.216 0.650 1.000 0.571 N 1.237 7 residues pruned to eliminate duplicates Z: 6 4.240 1.921 -0.288 0.541 1.000 0.400 CB 1.331 6 residues pruned to eliminate duplicates Z: 9 5.198 1.712 0.189 0.478 0.750 0.625 CA 1.230 9 residues pruned to eliminate duplicates Z: 6 4.060 1.893 -0.126 0.609 0.800 0.400 CB 1.238 7 residues pruned to eliminate duplicates Z: 7 3.030 1.512 0.814 0.391 0.833 0.833 CA 0.607 7 residues pruned to eliminate duplicates Z: 26 17.115 2.005 0.377 0.429 0.960 0.600 CB 1.391 25 residues pruned to eliminate duplicates Z: 25 15.948 2.067 0.310 0.458 0.917 0.583 CA 1.369 25 residues pruned to eliminate duplicates Z: 25 17.182 2.010 0.441 0.456 0.958 0.583 CA 1.322 24 residues pruned to eliminate duplicates Z: 25 17.021 2.027 0.428 0.496 0.917 0.542 CB 1.314 27 residues pruned to eliminate duplicates Z: 25 16.783 2.043 0.464 0.438 0.875 0.500 CB 1.396 25 residues pruned to eliminate duplicates Z: 24 16.823 2.048 0.497 0.449 0.913 0.609 CB 1.320 25 residues pruned to eliminate duplicates Z: 27 12.546 1.932 0.419 0.377 0.808 0.423 CB 1.267 25 residues pruned to eliminate duplicates Z: 6 2.603 1.317 0.821 0.199 1.000 0.200 N 0.695 6 residues pruned to eliminate duplicates Z: 27 14.907 2.016 0.370 0.386 0.923 0.385 CB 1.295 26 residues pruned to eliminate duplicates Z: 6 4.035 1.757 0.101 0.394 0.800 0.400 C 1.304 6 residues pruned to eliminate duplicates Z: 41 27.963 2.093 0.520 0.495 0.950 0.625 CA 1.471 41 residues pruned to eliminate duplicates Z: 29 18.492 2.054 0.476 0.366 0.929 0.393 CA 1.434 29 residues pruned to eliminate duplicates Z: 42 21.522 2.063 0.466 0.452 0.829 0.585 CA 1.408 42 residues pruned to eliminate duplicates Z: 15 16.037 2.168 0.608 0.404 0.929 0.714 CA 1.465 15 residues pruned to eliminate duplicates Z: 42 21.640 2.058 0.454 0.423 0.854 0.537 CA 1.432 42 residues pruned to eliminate duplicates Z: 40 22.122 2.123 0.358 0.429 0.897 0.564 CA 1.474 40 residues pruned to eliminate duplicates Z: 29 20.196 2.072 0.476 0.406 0.929 0.607 CA 1.484 29 residues pruned to eliminate duplicates Z: 40 26.108 2.069 0.584 0.451 0.923 0.641 CA 1.453 40 residues pruned to eliminate duplicates Z: 20 14.277 2.012 0.639 0.355 0.947 0.632 CA 1.226 20 residues pruned to eliminate duplicates Z: 19 14.938 2.095 0.474 0.330 0.944 0.444 CA 1.454 19 residues pruned to eliminate duplicates Z: 42 26.666 2.070 0.473 0.465 0.951 0.585 CB 1.488 42 residues pruned to eliminate duplicates Z: 38 29.015 2.130 0.493 0.513 0.973 0.595 CA 1.522 38 residues pruned to eliminate duplicates Z: 25 19.129 2.127 0.402 0.437 0.958 0.542 CA 1.457 25 residues pruned to eliminate duplicates Z: 39 22.302 2.072 0.424 0.426 0.895 0.474 CA 1.479 39 residues pruned to eliminate duplicates Z: 27 18.180 2.095 0.407 0.429 0.962 0.654 CA 1.354 27 residues pruned to eliminate duplicates Z: 39 25.166 2.125 0.444 0.479 0.921 0.658 CA 1.475 39 residues pruned to eliminate duplicates Z: 39 23.086 2.122 0.395 0.445 0.895 0.474 CA 1.497 39 residues pruned to eliminate duplicates Z: 39 27.021 2.138 0.586 0.496 0.895 0.684 CA 1.450 39 residues pruned to eliminate duplicates Z: 40 23.477 2.087 0.533 0.450 0.821 0.538 CA 1.507 40 residues pruned to eliminate duplicates Z: 41 22.181 2.114 0.394 0.426 0.900 0.500 CA 1.429 41 residues pruned to eliminate duplicates Z: 39 24.301 2.105 0.415 0.479 0.921 0.632 CA 1.468 39 residues pruned to eliminate duplicates Z: 43 25.703 2.087 0.498 0.444 0.905 0.500 CA 1.486 43 residues pruned to eliminate duplicates Z: 39 23.910 2.105 0.470 0.445 0.921 0.632 CA 1.439 39 residues pruned to eliminate duplicates Z: 42 27.334 2.083 0.525 0.450 0.902 0.488 CA 1.567 42 residues pruned to eliminate duplicates Z: 39 22.802 2.102 0.405 0.480 0.868 0.553 CA 1.471 39 residues pruned to eliminate duplicates Z: 15 9.344 1.976 0.252 0.507 0.857 0.429 CB 1.169 15 residues pruned to eliminate duplicates Z: 25 15.386 2.030 0.437 0.498 0.750 0.542 CB 1.438 25 residues pruned to eliminate duplicates Z: 39 24.358 2.046 0.544 0.476 0.868 0.658 CB 1.476 39 residues pruned to eliminate duplicates Z: 19 11.869 1.842 0.319 0.592 0.944 0.500 CB 1.116 19 residues pruned to eliminate duplicates Z: 21 12.169 1.894 0.495 0.492 0.850 0.550 CB 1.140 21 residues pruned to eliminate duplicates Z: 6 4.606 2.015 0.250 0.474 0.800 0.800 CB 1.049 6 residues pruned to eliminate duplicates Z: 37 24.682 2.140 0.439 0.502 0.917 0.611 CA 1.455 37 residues pruned to eliminate duplicates Z: 15 12.500 1.971 0.574 0.607 0.929 0.643 CB 1.048 15 residues pruned to eliminate duplicates Z: 43 22.315 2.050 0.541 0.430 0.881 0.667 CA 1.330 43 residues pruned to eliminate duplicates Z: 14 16.073 2.088 0.738 0.621 0.923 0.692 CB 1.187 14 residues pruned to eliminate duplicates Z: 41 26.535 2.069 0.506 0.453 0.925 0.600 CA 1.526 41 residues pruned to eliminate duplicates Z: 6 2.065 1.581 0.077 0.298 0.600 0.200 N 1.133 Z: 8 4.141 1.604 0.565 0.372 0.571 0.286 CA 1.252 10 residues pruned to eliminate duplicates Z: 6 7.392 1.615 0.967 0.593 0.800 0.400 N 1.191 10 residues pruned to eliminate duplicates Z: 10 8.559 1.672 0.781 0.479 0.889 0.556 CB 1.101 7 residues pruned to eliminate duplicates Z: 6 3.820 1.482 0.502 0.451 1.000 0.600 CB 0.808 6 residues pruned to eliminate duplicates Z: 7 4.440 1.287 0.656 0.560 0.833 0.333 CA 0.963 6 residues pruned to eliminate duplicates Z: 6 6.447 1.580 0.661 0.508 1.000 0.000 CA 1.090 6 residues pruned to eliminate duplicates Z: 14 6.586 1.744 0.302 0.260 0.923 0.462 CA 1.147 14 residues pruned to eliminate duplicates Z: 11 8.693 1.747 0.375 0.638 1.000 0.600 CB 1.005 11 residues pruned to eliminate duplicates Z: 17 7.525 1.723 0.257 0.380 0.938 0.312 CB 1.053 17 residues pruned to eliminate duplicates Z: 18 7.012 1.626 0.289 0.389 1.000 0.471 CB 0.913 18 residues pruned to eliminate duplicates Z: 13 8.413 1.793 0.523 0.467 0.833 0.333 CA 1.104 13 residues pruned to eliminate duplicates Z: 14 12.157 1.789 0.610 0.597 1.000 0.615 CB 1.067 14 residues pruned to eliminate duplicates Z: 7 6.828 1.800 0.486 0.713 1.000 0.500 CA 0.859 7 residues pruned to eliminate duplicates Z: 8 9.605 1.932 0.257 0.564 1.000 0.429 CA 1.405 8 residues pruned to eliminate duplicates Z: 10 9.616 2.045 0.355 0.457 0.889 0.444 CB 1.359 10 residues pruned to eliminate duplicates Z: 10 7.387 1.895 0.332 0.472 1.000 0.444 CB 1.004 10 residues pruned to eliminate duplicates Z: 16 8.470 1.858 0.399 0.499 0.867 0.400 CB 0.971 16 residues pruned to eliminate duplicates Z: 8 4.129 1.690 0.636 0.349 0.714 0.429 CB 0.931 8 residues pruned to eliminate duplicates Z: 15 6.106 1.728 0.577 0.216 0.786 0.429 CB 1.064 15 residues pruned to eliminate duplicates Z: 6 3.939 1.595 1.086 0.151 0.800 0.200 CA 1.017 6 residues pruned to eliminate duplicates Z: 27 16.203 2.024 0.339 0.348 0.885 0.385 CB 1.563 27 residues pruned to eliminate duplicates Z: 26 16.969 2.058 0.444 0.351 0.840 0.480 CB 1.596 26 residues pruned to eliminate duplicates Z: 6 3.608 1.852 0.140 0.430 0.800 0.400 CA 1.027 6 residues pruned to eliminate duplicates Z: 26 13.411 2.042 0.264 0.303 0.880 0.320 CB 1.471 26 residues pruned to eliminate duplicates Z: 16 7.546 1.938 0.446 0.183 0.667 0.067 CA 1.527 16 residues pruned to eliminate duplicates Z: 24 15.783 2.080 0.294 0.365 0.870 0.435 CA 1.626 24 residues pruned to eliminate duplicates Z: 35 18.674 1.969 0.496 0.308 0.853 0.353 CB 1.577 36 residues pruned to eliminate duplicates Z: 6 4.773 1.853 0.431 0.361 1.000 0.600 CA 0.936 6 residues pruned to eliminate duplicates Z: 26 14.029 2.078 0.222 0.310 0.840 0.360 CB 1.625 26 residues pruned to eliminate duplicates Z: 27 14.107 2.042 0.308 0.346 0.808 0.615 CB 1.517 26 residues pruned to eliminate duplicates Z: 7 6.105 1.784 0.226 0.444 0.833 0.667 CB 1.449 8 residues pruned to eliminate duplicates Z: 6 8.878 1.576 1.078 0.403 1.000 0.800 CA 1.342 6 residues pruned to eliminate duplicates Z: 20 19.626 2.211 0.580 0.481 0.947 0.632 CB 1.387 20 residues pruned to eliminate duplicates Z: 43 27.607 2.062 0.433 0.578 0.929 0.690 CA 1.439 43 residues pruned to eliminate duplicates Z: 20 10.614 1.893 0.424 0.388 0.789 0.368 CA 1.289 20 residues pruned to eliminate duplicates Z: 59 37.838 2.106 0.470 0.604 0.966 0.603 CA 1.505 59 residues pruned to eliminate duplicates Z: 16 20.124 2.140 0.883 0.422 0.933 0.600 CA 1.498 16 residues pruned to eliminate duplicates Z: 16 17.232 2.048 0.679 0.482 0.933 0.533 CB 1.412 16 residues pruned to eliminate duplicates Z: 30 28.821 2.142 0.557 0.607 0.966 0.690 CA 1.502 29 residues pruned to eliminate duplicates Z: 6 7.464 1.794 0.479 0.486 1.000 0.600 N 1.276 6 residues pruned to eliminate duplicates Z: 23 25.858 2.191 0.556 0.569 1.000 0.682 CA 1.513 24 residues pruned to eliminate duplicates Z: 19 20.140 2.100 0.267 0.831 1.000 0.889 CA 1.341 19 residues pruned to eliminate duplicates Z: 56 43.189 2.144 0.535 0.646 1.000 0.691 CA 1.544 56 residues pruned to eliminate duplicates Z: 65 41.730 2.112 0.545 0.607 0.938 0.688 CA 1.540 65 residues pruned to eliminate duplicates Z: 48 28.655 2.075 0.381 0.590 0.936 0.617 CA 1.429 48 residues pruned to eliminate duplicates Z: 31 28.318 2.120 0.607 0.585 0.967 0.667 CA 1.447 30 residues pruned to eliminate duplicates Z: 19 20.892 2.074 0.321 0.849 0.944 0.722 CA 1.411 19 residues pruned to eliminate duplicates Z: 35 33.825 2.138 0.648 0.620 0.971 0.706 CA 1.515 35 residues pruned to eliminate duplicates Z: 32 24.284 2.051 0.544 0.554 0.935 0.613 CA 1.397 31 residues pruned to eliminate duplicates Z: 19 20.061 2.064 0.429 0.861 0.889 0.667 CA 1.326 19 residues pruned to eliminate duplicates Z: 81 43.403 2.086 0.504 0.577 0.950 0.650 CA 1.512 81 residues pruned to eliminate duplicates Z: 53 35.329 2.088 0.414 0.665 0.981 0.692 CA 1.452 53 residues pruned to eliminate duplicates Z: 22 20.416 2.110 0.183 0.803 1.000 0.857 CA 1.370 22 residues pruned to eliminate duplicates Z: 34 21.267 2.010 0.350 0.652 0.970 0.727 CA 1.221 34 residues pruned to eliminate duplicates Z: 61 36.310 2.050 0.508 0.596 0.933 0.483 CA 1.481 61 residues pruned to eliminate duplicates Z: 42 34.390 2.087 0.464 0.707 1.000 0.707 CA 1.457 42 residues pruned to eliminate duplicates Z: 20 21.588 1.984 0.659 0.697 0.947 0.474 CA 1.327 20 residues pruned to eliminate duplicates Z: 66 40.073 2.117 0.509 0.568 0.908 0.538 CA 1.606 66 residues pruned to eliminate duplicates Z: 65 40.322 2.114 0.550 0.596 0.906 0.625 CA 1.548 65 residues pruned to eliminate duplicates Z: 64 43.241 2.083 0.691 0.592 0.921 0.587 CA 1.539 64 residues pruned to eliminate duplicates Z: 46 27.786 1.956 0.655 0.545 0.911 0.578 CB 1.344 46 residues pruned to eliminate duplicates Z: 35 38.881 2.116 0.867 0.712 1.000 0.441 CA 1.392 35 residues pruned to eliminate duplicates Z: 81 51.265 2.122 0.694 0.573 0.963 0.550 CA 1.544 83 residues pruned to eliminate duplicates Z: 15 24.634 2.000 0.937 0.756 1.000 0.429 CA 1.354 15 residues pruned to eliminate duplicates Z: 50 39.376 2.152 0.579 0.632 0.959 0.612 CA 1.525 50 residues pruned to eliminate duplicates Z: 66 43.885 2.112 0.661 0.582 0.923 0.585 CA 1.554 66 residues pruned to eliminate duplicates Z: 39 32.440 2.119 0.579 0.531 0.947 0.684 CA 1.611 39 residues pruned to eliminate duplicates Z: 16 23.807 2.008 1.017 0.616 0.933 0.600 CB 1.457 16 residues pruned to eliminate duplicates Z: 66 41.266 2.122 0.669 0.566 0.908 0.538 CA 1.493 66 residues pruned to eliminate duplicates Z: 66 43.020 2.128 0.676 0.577 0.908 0.554 CA 1.532 66 residues pruned to eliminate duplicates Z: 42 30.859 2.116 0.410 0.676 0.976 0.610 CA 1.408 42 residues pruned to eliminate duplicates Z: 79 47.636 2.134 0.589 0.573 0.949 0.590 CA 1.563 79 residues pruned to eliminate duplicates Z: 26 17.220 1.981 0.380 0.507 0.920 0.400 CB 1.361 26 residues pruned to eliminate duplicates Z: 57 34.235 2.060 0.496 0.621 0.929 0.607 CA 1.427 57 residues pruned to eliminate duplicates Z: 65 41.014 2.122 0.642 0.595 0.875 0.641 CA 1.535 65 residues pruned to eliminate duplicates Z: 43 29.706 2.135 0.546 0.523 0.857 0.595 CA 1.584 43 residues pruned to eliminate duplicates Z: 41 27.489 2.085 0.550 0.470 0.875 0.600 CB 1.586 41 residues pruned to eliminate duplicates Z: 31 20.141 2.085 0.516 0.405 0.833 0.500 CA 1.543 31 residues pruned to eliminate duplicates Z: 24 17.867 2.091 0.447 0.360 0.870 0.522 CA 1.646 24 residues pruned to eliminate duplicates Z: 65 39.807 2.071 0.596 0.580 0.953 0.594 CB 1.462 64 residues pruned to eliminate duplicates Z: 6 4.167 1.775 0.695 0.265 0.800 0.200 CA 1.013 6 residues pruned to eliminate duplicates Z: 67 41.581 2.108 0.570 0.585 0.924 0.652 CA 1.542 67 residues pruned to eliminate duplicates Z: 42 31.396 2.100 0.565 0.529 0.951 0.659 CA 1.523 42 residues pruned to eliminate duplicates Z: 61 41.484 2.085 0.609 0.602 0.933 0.483 CA 1.552 61 residues pruned to eliminate duplicates Z: 66 40.084 2.105 0.588 0.614 0.892 0.585 CA 1.496 66 residues pruned to eliminate duplicates Z: 31 25.150 2.121 0.672 0.403 0.900 0.600 CA 1.593 31 residues pruned to eliminate duplicates Z: 16 18.039 2.149 0.511 0.411 0.933 0.600 CB 1.688 16 residues pruned to eliminate duplicates Z: 25 19.721 2.094 0.507 0.441 0.875 0.583 CA 1.549 25 residues pruned to eliminate duplicates Z: 59 43.044 2.117 0.678 0.608 0.914 0.534 CA 1.571 59 residues pruned to eliminate duplicates Z: 31 23.605 2.139 0.584 0.426 0.867 0.600 CA 1.585 31 residues pruned to eliminate duplicates Z: 67 43.425 2.106 0.651 0.578 0.909 0.652 CA 1.569 67 residues pruned to eliminate duplicates Z: 24 20.753 2.142 0.550 0.452 0.870 0.609 CA 1.574 24 residues pruned to eliminate duplicates Z: 25 19.688 2.121 0.550 0.414 0.833 0.458 CA 1.606 25 residues pruned to eliminate duplicates Z: 47 30.279 2.080 0.531 0.506 0.913 0.500 CA 1.528 47 residues pruned to eliminate duplicates Z: 32 23.932 2.112 0.532 0.440 0.903 0.548 CA 1.564 32 residues pruned to eliminate duplicates Z: 31 24.835 2.117 0.625 0.452 0.900 0.600 CA 1.539 31 residues pruned to eliminate duplicates Z: 33 21.593 2.100 0.648 0.411 0.781 0.562 CB 1.550 32 residues pruned to eliminate duplicates Z: 11 17.096 1.810 0.951 0.819 0.900 0.700 CA 1.290 13 residues pruned to eliminate duplicates Z: 10 18.254 1.890 0.935 0.809 1.000 0.778 CA 1.271 10 residues pruned to eliminate duplicates Z: 10 7.747 1.828 0.877 0.279 0.778 0.444 CB 1.242 4 residues pruned to eliminate duplicates Z: 13 16.108 1.937 1.011 0.651 0.833 0.583 CA 1.244 13 residues pruned to eliminate duplicates Z: 13 2.961 1.551 0.245 0.194 0.750 0.417 CB 0.851 13 residues pruned to eliminate duplicates Z: 12 8.950 2.053 0.514 0.290 0.818 0.636 CB 1.343 12 residues pruned to eliminate duplicates Z: 12 9.192 2.032 0.576 0.293 0.909 0.545 CB 1.201 12 residues pruned to eliminate duplicates Z: 12 10.462 2.074 0.663 0.305 0.818 0.455 CB 1.389 12 residues pruned to eliminate duplicates Z: 6 7.657 1.666 0.765 0.732 1.000 0.400 CB 0.945 6 residues pruned to eliminate duplicates Z: 12 11.325 2.099 0.466 0.271 1.000 0.455 CB 1.439 12 residues pruned to eliminate duplicates Z: 6 5.614 2.110 0.423 0.327 0.800 0.400 CB 1.263 6 residues pruned to eliminate duplicates Z: 13 9.503 1.985 0.658 0.253 0.750 0.333 CB 1.476 13 residues pruned to eliminate duplicates Z: 13 9.641 1.930 0.604 0.265 0.833 0.750 CB 1.411 13 residues pruned to eliminate duplicates Z: 7 4.402 1.428 0.289 0.373 1.000 0.667 CA 1.118 7 residues pruned to eliminate duplicates Z: 11 6.068 1.797 0.563 0.229 0.800 0.400 CB 1.172 11 residues pruned to eliminate duplicates Z: 13 6.713 1.990 0.263 0.252 0.833 0.667 CB 1.230 13 residues pruned to eliminate duplicates Z: 22 8.192 1.888 0.292 0.223 0.714 0.476 CB 1.419 22 residues pruned to eliminate duplicates Z: 24 8.047 1.869 0.389 0.179 0.696 0.348 CB 1.368 24 residues pruned to eliminate duplicates Z: 23 9.240 1.883 0.450 0.220 0.773 0.545 CB 1.297 23 residues pruned to eliminate duplicates Z: 14 5.831 1.967 0.233 0.242 0.769 0.538 CB 1.168 14 residues pruned to eliminate duplicates Z: 16 6.236 1.890 0.168 0.261 0.867 0.467 CB 1.106 16 residues pruned to eliminate duplicates Z: 13 7.384 1.987 0.381 0.222 0.750 0.417 CB 1.435 13 residues pruned to eliminate duplicates Z: 23 9.415 1.907 0.374 0.263 0.773 0.500 CB 1.300 29 residues pruned to eliminate duplicates Z: 6 4.116 1.338 1.016 0.350 0.800 0.600 C 1.003 6 residues pruned to eliminate duplicates Z: 15 5.744 2.042 0.565 0.269 0.857 0.571 CA 0.729 15 residues pruned to eliminate duplicates Z: 29 36.259 2.270 0.709 0.706 0.964 0.750 CA 1.519 29 residues pruned to eliminate duplicates Z: 47 38.952 2.183 0.582 0.607 0.957 0.587 CA 1.570 47 residues pruned to eliminate duplicates Z: 38 26.933 2.158 0.505 0.479 0.919 0.486 CA 1.516 38 residues pruned to eliminate duplicates Z: 19 11.145 2.058 0.522 0.274 0.833 0.556 CA 1.301 19 residues pruned to eliminate duplicates Z: 54 39.386 2.185 0.561 0.595 0.906 0.585 CA 1.599 54 residues pruned to eliminate duplicates Z: 51 26.016 2.098 0.375 0.454 0.920 0.520 CB 1.453 51 residues pruned to eliminate duplicates Z: 28 26.120 2.134 0.660 0.611 0.889 0.444 CA 1.437 28 residues pruned to eliminate duplicates Z: 54 44.523 2.190 0.654 0.600 0.962 0.509 CA 1.595 54 residues pruned to eliminate duplicates Z: 34 32.789 2.194 0.600 0.572 0.939 0.515 CA 1.614 34 residues pruned to eliminate duplicates Z: 44 42.117 2.232 0.644 0.645 0.953 0.395 CA 1.603 44 residues pruned to eliminate duplicates Z: 32 36.801 2.181 0.726 0.643 0.968 0.484 CA 1.587 32 residues pruned to eliminate duplicates Z: 47 34.813 2.095 0.652 0.567 0.913 0.500 CA 1.522 47 residues pruned to eliminate duplicates Z: 55 43.267 2.186 0.624 0.579 0.963 0.574 CA 1.596 55 residues pruned to eliminate duplicates Z: 43 35.203 2.130 0.640 0.580 0.905 0.452 CA 1.591 43 residues pruned to eliminate duplicates Z: 33 32.226 2.214 0.744 0.590 0.906 0.562 CA 1.493 33 residues pruned to eliminate duplicates Z: 15 21.858 2.203 0.724 0.630 0.786 0.286 N 1.734 15 residues pruned to eliminate duplicates Z: 36 29.752 2.159 0.479 0.627 0.914 0.400 CB 1.528 36 residues pruned to eliminate duplicates Z: 29 22.692 2.147 0.584 0.507 0.821 0.321 CA 1.525 29 residues pruned to eliminate duplicates Z: 55 34.327 2.088 0.564 0.544 0.907 0.519 CA 1.510 55 residues pruned to eliminate duplicates Z: 52 34.044 2.155 0.585 0.568 0.824 0.490 CA 1.586 52 residues pruned to eliminate duplicates Z: 71 44.571 2.226 0.540 0.534 0.900 0.486 CA 1.669 71 residues pruned to eliminate duplicates Z: 44 42.275 2.247 0.677 0.635 0.930 0.465 CA 1.621 44 residues pruned to eliminate duplicates Z: 54 37.317 2.189 0.573 0.576 0.868 0.453 CB 1.595 54 residues pruned to eliminate duplicates Z: 35 29.335 2.215 0.699 0.592 0.824 0.441 CA 1.487 35 residues pruned to eliminate duplicates Z: 89 45.648 2.188 0.524 0.510 0.886 0.466 CA 1.631 89 residues pruned to eliminate duplicates Z: 54 40.212 2.188 0.573 0.589 0.925 0.491 CB 1.594 54 residues pruned to eliminate duplicates Z: 41 36.223 2.228 0.746 0.558 0.850 0.450 CA 1.636 41 residues pruned to eliminate duplicates Z: 52 40.973 2.190 0.665 0.605 0.922 0.510 CA 1.545 52 residues pruned to eliminate duplicates Z: 25 16.466 2.102 0.464 0.472 0.792 0.458 CB 1.419 25 residues pruned to eliminate duplicates Z: 38 27.787 2.088 0.560 0.532 0.865 0.405 CA 1.571 38 residues pruned to eliminate duplicates Z: 44 42.524 2.243 0.640 0.632 0.977 0.605 CA 1.594 44 residues pruned to eliminate duplicates Z: 20 17.737 2.154 0.421 0.441 0.895 0.421 CB 1.579 20 residues pruned to eliminate duplicates Z: 45 43.217 2.231 0.653 0.647 0.977 0.477 CA 1.577 45 residues pruned to eliminate duplicates Z: 54 41.120 2.179 0.580 0.573 0.962 0.528 CA 1.589 54 residues pruned to eliminate duplicates Z: 64 38.862 2.150 0.538 0.557 0.889 0.508 CB 1.576 64 residues pruned to eliminate duplicates Z: 32 31.089 2.244 0.531 0.657 0.935 0.452 CB 1.502 32 residues pruned to eliminate duplicates Z: 50 43.888 2.228 0.706 0.610 0.898 0.327 CA 1.655 50 residues pruned to eliminate duplicates Z: 58 39.724 2.176 0.698 0.484 0.912 0.544 CB 1.586 58 residues pruned to eliminate duplicates Z: 11 10.653 1.983 0.398 0.466 0.900 0.500 CB 1.397 11 residues pruned to eliminate duplicates Z: 19 12.372 1.919 0.500 0.503 0.944 0.444 CB 1.070 19 residues pruned to eliminate duplicates Z: 18 11.192 1.976 0.433 0.357 0.882 0.529 CB 1.268 18 residues pruned to eliminate duplicates Z: 52 39.670 2.165 0.643 0.617 0.902 0.667 CA 1.550 52 residues pruned to eliminate duplicates Z: 25 17.725 2.055 0.548 0.513 0.917 0.417 CB 1.225 25 residues pruned to eliminate duplicates Z: 64 48.226 2.241 0.634 0.561 0.968 0.540 CB 1.616 64 residues pruned to eliminate duplicates Z: 74 46.996 2.237 0.583 0.524 0.918 0.548 CA 1.652 74 residues pruned to eliminate duplicates Z: 80 45.471 2.190 0.547 0.497 0.924 0.481 CA 1.638 80 residues pruned to eliminate duplicates Z: 37 22.001 2.140 0.395 0.364 0.861 0.500 CA 1.651 37 residues pruned to eliminate duplicates Z: 75 47.499 2.191 0.665 0.498 0.946 0.419 CA 1.604 75 residues pruned to eliminate duplicates Z: 57 35.741 2.178 0.500 0.483 0.875 0.571 CB 1.700 57 residues pruned to eliminate duplicates Z: 62 42.250 2.249 0.605 0.521 0.918 0.410 CA 1.599 62 residues pruned to eliminate duplicates Z: 58 48.105 2.261 0.742 0.511 0.930 0.526 CB 1.720 58 residues pruned to eliminate duplicates Z: 60 32.509 2.096 0.364 0.494 0.932 0.492 CA 1.598 60 residues pruned to eliminate duplicates Z: 71 47.879 2.240 0.612 0.542 0.943 0.529 CA 1.613 71 residues pruned to eliminate duplicates Z: 24 16.718 2.192 0.553 0.301 0.783 0.565 CA 1.633 24 residues pruned to eliminate duplicates Z: 65 45.602 2.229 0.732 0.533 0.859 0.453 CB 1.663 65 residues pruned to eliminate duplicates Z: 75 50.193 2.201 0.742 0.535 0.919 0.527 CA 1.600 75 residues pruned to eliminate duplicates Z: 59 30.280 2.132 0.299 0.509 0.862 0.621 CA 1.650 59 residues pruned to eliminate duplicates Z: 16 16.504 2.200 0.614 0.317 0.867 0.467 CA 1.695 16 residues pruned to eliminate duplicates Z: 31 22.692 2.171 0.699 0.360 0.833 0.500 CB 1.567 31 residues pruned to eliminate duplicates Z: 75 46.838 2.212 0.591 0.517 0.919 0.541 CA 1.655 75 residues pruned to eliminate duplicates Z: 109 58.478 2.180 0.594 0.548 0.935 0.491 CA 1.652 110 residues pruned to eliminate duplicates Z: 7 3.840 1.694 0.251 0.298 0.833 0.500 N 1.112 7 residues pruned to eliminate duplicates Z: 25 16.932 2.173 0.517 0.251 0.875 0.500 CB 1.596 25 residues pruned to eliminate duplicates Z: 72 45.506 2.187 0.735 0.511 0.887 0.493 CA 1.588 72 residues pruned to eliminate duplicates Z: 21 19.996 2.273 0.623 0.320 0.900 0.600 CA 1.641 21 residues pruned to eliminate duplicates Z: 29 17.695 2.106 0.457 0.325 0.893 0.464 CA 1.479 29 residues pruned to eliminate duplicates Z: 78 46.414 2.204 0.626 0.505 0.896 0.494 CA 1.639 78 residues pruned to eliminate duplicates Z: 14 6.273 2.015 -0.005 0.320 0.692 0.308 N 1.529 14 residues pruned to eliminate duplicates Z: 36 24.245 2.087 0.293 0.627 0.829 0.571 CA 1.627 36 residues pruned to eliminate duplicates Z: 36 20.037 2.150 0.340 0.336 0.886 0.600 CA 1.588 36 residues pruned to eliminate duplicates Z: 13 15.853 2.117 0.527 0.446 0.917 0.750 N 1.633 13 residues pruned to eliminate duplicates Z: 15 11.331 2.045 0.384 0.336 0.857 0.571 N 1.493 15 residues pruned to eliminate duplicates Z: 13 16.838 2.223 0.219 0.590 0.917 0.833 N 1.795 13 residues pruned to eliminate duplicates Z: 12 13.475 2.110 0.501 0.409 0.818 0.727 N 1.724 12 residues pruned to eliminate duplicates Z: 60 27.458 2.039 0.383 0.461 0.847 0.508 CA 1.556 60 residues pruned to eliminate duplicates Z: 26 32.404 2.204 0.499 0.735 0.960 0.760 CB 1.654 26 residues pruned to eliminate duplicates Z: 35 27.293 2.101 0.417 0.640 0.853 0.559 CB 1.618 35 residues pruned to eliminate duplicates Z: 25 31.520 2.223 0.466 0.756 0.958 0.708 CB 1.640 25 residues pruned to eliminate duplicates Z: 31 22.552 2.079 0.255 0.607 0.900 0.633 CB 1.584 31 residues pruned to eliminate duplicates Z: 31 26.027 2.095 0.324 0.620 0.933 0.467 CA 1.638 31 residues pruned to eliminate duplicates Z: 63 28.254 2.040 0.337 0.505 0.903 0.468 CB 1.450 63 residues pruned to eliminate duplicates Z: 52 25.362 2.085 0.464 0.497 0.843 0.471 CB 1.385 52 residues pruned to eliminate duplicates Z: 103 58.780 2.191 0.688 0.546 0.912 0.422 CA 1.650 102 residues pruned to eliminate duplicates Z: 16 22.199 2.274 0.452 0.885 0.867 0.533 CB 1.446 16 residues pruned to eliminate duplicates Z: 43 21.583 2.054 0.432 0.535 0.786 0.500 CB 1.392 43 residues pruned to eliminate duplicates Z: 22 25.219 2.198 0.653 0.702 0.857 0.571 CB 1.470 22 residues pruned to eliminate duplicates Z: 31 26.060 2.123 0.461 0.641 0.900 0.467 CB 1.494 31 residues pruned to eliminate duplicates Z: 27 23.481 2.080 0.607 0.647 0.846 0.423 CB 1.420 27 residues pruned to eliminate duplicates Z: 23 24.931 2.192 0.623 0.664 0.864 0.545 CB 1.487 23 residues pruned to eliminate duplicates Z: 111 54.555 2.150 0.598 0.536 0.891 0.491 CA 1.641 112 residues pruned to eliminate duplicates Z: 19 20.898 2.152 0.461 0.815 0.833 0.500 CB 1.429 19 residues pruned to eliminate duplicates Z: 34 31.600 2.111 0.435 0.682 0.909 0.515 CB 1.689 34 residues pruned to eliminate duplicates Z: 52 32.929 2.079 0.538 0.569 0.922 0.549 CB 1.464 52 residues pruned to eliminate duplicates Z: 34 33.741 2.110 0.505 0.642 0.970 0.545 CB 1.669 34 residues pruned to eliminate duplicates Z: 33 33.025 2.054 0.637 0.667 0.969 0.594 CB 1.536 33 residues pruned to eliminate duplicates Z: 25 31.442 2.150 0.660 0.738 0.958 0.500 CB 1.515 25 residues pruned to eliminate duplicates Z: 8 5.628 1.753 0.162 0.440 0.857 0.286 N 1.296 8 residues pruned to eliminate duplicates Z: 12 7.056 1.853 0.055 0.487 0.818 0.273 CB 1.347 12 residues pruned to eliminate duplicates Z: 11 6.973 1.821 0.047 0.461 0.900 0.200 CA 1.338 11 residues pruned to eliminate duplicates Z: 73 28.339 2.037 0.306 0.475 0.847 0.542 CB 1.520 73 residues pruned to eliminate duplicates Z: 20 10.178 1.949 0.279 0.382 0.842 0.421 CB 1.261 20 residues pruned to eliminate duplicates Z: 28 14.432 2.070 0.340 0.404 0.815 0.407 CB 1.359 28 residues pruned to eliminate duplicates Z: 11 6.073 1.824 0.192 0.389 0.700 0.300 N 1.419 11 residues pruned to eliminate duplicates Z: 34 12.920 1.942 0.238 0.338 0.818 0.424 CB 1.366 34 residues pruned to eliminate duplicates Z: 29 12.480 1.969 0.207 0.396 0.857 0.429 CB 1.292 29 residues pruned to eliminate duplicates Z: 23 11.801 1.987 0.327 0.390 0.818 0.455 CB 1.311 23 residues pruned to eliminate duplicates Z: 24 11.738 1.969 0.197 0.419 0.957 0.435 CB 1.180 24 residues pruned to eliminate duplicates Z: 58 18.415 1.949 0.387 0.327 0.807 0.368 CB 1.351 59 residues pruned to eliminate duplicates Z: 6 4.826 1.705 0.410 0.375 0.800 0.600 CB 1.284 6 residues pruned to eliminate duplicates Z: 25 16.191 2.067 0.318 0.395 0.875 0.417 CB 1.550 25 residues pruned to eliminate duplicates Z: 43 19.280 1.975 0.476 0.361 0.857 0.571 CB 1.383 43 residues pruned to eliminate duplicates Z: 47 23.356 2.023 0.580 0.364 0.870 0.457 CB 1.434 47 residues pruned to eliminate duplicates Z: 19 9.880 1.974 0.483 0.345 0.833 0.500 CB 1.130 19 residues pruned to eliminate duplicates Z: 24 15.303 2.070 0.360 0.395 0.870 0.565 CB 1.457 24 residues pruned to eliminate duplicates Z: 20 11.487 2.066 0.310 0.424 0.842 0.579 CB 1.250 20 residues pruned to eliminate duplicates Z: 29 13.292 1.948 0.286 0.398 0.857 0.429 CB 1.303 29 residues pruned to eliminate duplicates Z: 12 8.162 1.994 0.239 0.385 0.909 0.455 CB 1.239 12 residues pruned to eliminate duplicates Z: 22 13.440 2.065 0.293 0.447 0.905 0.429 CB 1.281 22 residues pruned to eliminate duplicates Z: 21 12.090 2.082 0.155 0.459 0.900 0.550 CB 1.302 21 residues pruned to eliminate duplicates Z: 42 17.644 2.009 0.398 0.366 0.854 0.439 CB 1.327 42 residues pruned to eliminate duplicates Z: 24 11.144 1.890 0.285 0.448 0.826 0.435 CB 1.223 24 residues pruned to eliminate duplicates Z: 24 8.811 1.935 0.351 0.236 0.739 0.522 CB 1.292 24 residues pruned to eliminate duplicates Z: 26 11.775 1.985 0.294 0.384 0.840 0.400 CB 1.234 26 residues pruned to eliminate duplicates Z: 32 17.939 1.988 0.546 0.451 0.839 0.581 CB 1.314 32 residues pruned to eliminate duplicates Z: 9 5.646 1.961 0.431 0.156 0.750 0.250 CA 1.444 9 residues pruned to eliminate duplicates Z: 16 11.004 1.974 0.548 0.344 0.733 0.400 CA 1.501 16 residues pruned to eliminate duplicates Z: 23 11.424 1.958 0.432 0.297 0.773 0.500 CB 1.411 23 residues pruned to eliminate duplicates Z: 25 17.179 2.040 0.433 0.390 0.958 0.500 CB 1.406 25 residues pruned to eliminate duplicates Z: 37 15.989 2.019 0.418 0.358 0.806 0.417 CB 1.347 37 residues pruned to eliminate duplicates Z: 9 7.170 1.852 0.323 0.435 0.875 0.250 CB 1.265 9 residues pruned to eliminate duplicates Z: 21 14.159 2.018 0.430 0.298 0.900 0.400 CA 1.528 21 residues pruned to eliminate duplicates Z: 14 10.124 1.918 0.632 0.261 0.923 0.462 CB 1.277 14 residues pruned to eliminate duplicates Z: 13 7.431 1.921 0.241 0.300 0.833 0.333 CB 1.350 13 residues pruned to eliminate duplicates Z: 20 9.034 1.916 0.349 0.319 0.789 0.474 CA 1.239 20 residues pruned to eliminate duplicates Z: 20 11.792 1.980 0.364 0.369 0.842 0.474 CA 1.368 20 residues pruned to eliminate duplicates Z: 16 9.462 1.937 0.349 0.252 0.800 0.400 CB 1.553 16 residues pruned to eliminate duplicates Z: 13 6.774 1.947 0.538 0.222 0.667 0.500 CA 1.356 13 residues pruned to eliminate duplicates Z: 34 17.833 1.924 0.565 0.398 0.848 0.455 CA 1.354 34 residues pruned to eliminate duplicates Z: 16 6.730 1.617 0.316 0.335 0.867 0.467 CA 1.129 16 residues pruned to eliminate duplicates Z: 8 2.313 1.674 0.096 0.157 0.857 0.286 CA 0.847 8 residues pruned to eliminate duplicates Z: 32 18.480 1.968 0.583 0.350 0.839 0.484 CA 1.494 32 residues pruned to eliminate duplicates Z: 19 12.931 1.967 0.757 0.305 0.889 0.556 CA 1.232 19 residues pruned to eliminate duplicates Z: 18 12.052 1.981 0.511 0.397 0.824 0.588 CA 1.322 18 residues pruned to eliminate duplicates Z: 21 17.745 2.037 0.657 0.468 0.850 0.650 CA 1.429 21 residues pruned to eliminate duplicates Z: 22 20.367 2.076 0.663 0.423 0.905 0.476 CA 1.542 22 residues pruned to eliminate duplicates Z: 21 12.520 2.023 0.549 0.297 0.800 0.500 CA 1.401 21 residues pruned to eliminate duplicates Z: 44 27.683 2.046 0.508 0.459 0.953 0.651 CA 1.496 44 residues pruned to eliminate duplicates Z: 15 9.506 1.887 0.468 0.395 0.857 0.500 CA 1.195 15 residues pruned to eliminate duplicates Z: 40 35.392 2.079 0.524 0.647 0.949 0.692 CA 1.644 45 residues pruned to eliminate duplicates Z: 6 3.828 1.626 0.352 0.376 0.800 0.600 C 1.111 6 residues pruned to eliminate duplicates Z: 19 14.463 2.024 0.499 0.349 0.833 0.500 CA 1.589 19 residues pruned to eliminate duplicates Z: 16 11.675 2.099 0.411 0.390 0.867 0.467 CA 1.320 16 residues pruned to eliminate duplicates Z: 39 26.974 2.030 0.645 0.503 0.842 0.605 CA 1.552 39 residues pruned to eliminate duplicates Z: 19 17.482 2.059 0.777 0.469 0.833 0.611 CA 1.395 19 residues pruned to eliminate duplicates Z: 34 28.297 2.079 0.620 0.555 0.879 0.667 CA 1.577 34 residues pruned to eliminate duplicates Z: 49 34.886 2.060 0.551 0.566 0.917 0.521 CA 1.613 49 residues pruned to eliminate duplicates Z: 34 30.875 2.057 0.671 0.618 0.879 0.576 CB 1.593 34 residues pruned to eliminate duplicates Z: 49 33.386 2.099 0.664 0.518 0.875 0.625 CA 1.549 49 residues pruned to eliminate duplicates Z: 54 33.481 2.057 0.571 0.542 0.925 0.604 CA 1.478 54 residues pruned to eliminate duplicates Z: 32 29.353 2.127 0.602 0.580 0.871 0.677 CA 1.644 32 residues pruned to eliminate duplicates Z: 40 31.788 2.065 0.558 0.607 0.923 0.641 CB 1.549 40 residues pruned to eliminate duplicates Z: 22 27.465 2.095 0.630 0.675 0.952 0.476 CB 1.569 22 residues pruned to eliminate duplicates Z: 36 28.245 2.036 0.622 0.628 0.943 0.600 CB 1.360 36 residues pruned to eliminate duplicates Z: 28 35.016 2.120 0.651 0.747 1.000 0.667 CB 1.545 30 residues pruned to eliminate duplicates Z: 23 36.420 2.099 0.654 0.903 0.955 0.636 CB 1.670 23 residues pruned to eliminate duplicates Z: 41 38.459 2.039 0.731 0.662 0.950 0.675 CB 1.561 41 residues pruned to eliminate duplicates Z: 33 31.650 2.119 0.674 0.566 0.906 0.562 CA 1.632 33 residues pruned to eliminate duplicates Z: 39 41.522 2.084 0.755 0.715 1.000 0.579 CB 1.516 39 residues pruned to eliminate duplicates Z: 32 29.310 1.963 0.702 0.680 0.935 0.452 CB 1.428 32 residues pruned to eliminate duplicates Z: 29 30.093 1.987 0.718 0.725 0.964 0.464 CB 1.410 29 residues pruned to eliminate duplicates Z: 30 33.628 2.104 0.800 0.657 0.897 0.655 CB 1.590 30 residues pruned to eliminate duplicates Z: 39 35.746 2.025 0.734 0.634 0.921 0.526 CB 1.581 39 residues pruned to eliminate duplicates Z: 29 33.816 2.052 0.671 0.713 1.000 0.429 CB 1.537 29 residues pruned to eliminate duplicates Z: 28 29.936 1.975 0.655 0.726 1.000 0.444 CB 1.438 28 residues pruned to eliminate duplicates Z: 21 27.702 1.987 0.818 0.761 0.950 0.600 CB 1.431 21 residues pruned to eliminate duplicates Z: 42 28.422 1.997 0.602 0.580 0.902 0.463 CB 1.424 42 residues pruned to eliminate duplicates Z: 41 26.449 1.978 0.717 0.574 0.850 0.350 CB 1.349 41 residues pruned to eliminate duplicates Z: 38 29.402 2.025 0.703 0.673 0.838 0.486 CB 1.426 38 residues pruned to eliminate duplicates Z: 57 35.750 1.995 0.732 0.513 0.875 0.518 CA 1.561 57 residues pruned to eliminate duplicates Z: 56 36.919 2.031 0.705 0.540 0.873 0.545 CA 1.584 56 residues pruned to eliminate duplicates Z: 9 6.501 1.870 0.369 0.430 0.750 0.375 CB 1.288 9 residues pruned to eliminate duplicates Z: 9 4.890 1.629 0.742 0.456 0.875 0.375 CA 0.728 7 residues pruned to eliminate duplicates Z: 6 2.337 1.554 0.444 0.244 0.600 0.400 CA 1.043 6 residues pruned to eliminate duplicates Z: 20 12.764 2.087 0.437 0.389 0.737 0.421 CB 1.491 22 residues pruned to eliminate duplicates Z: 9 5.798 1.784 0.475 0.187 0.875 0.500 CB 1.296 9 residues pruned to eliminate duplicates Z: 13 10.337 2.148 0.489 0.280 0.750 0.250 CA 1.595 13 residues pruned to eliminate duplicates Z: 17 13.781 2.052 0.304 0.412 0.938 0.438 CA 1.506 17 residues pruned to eliminate duplicates Z: 10 4.407 1.652 0.362 0.472 0.667 0.333 CA 1.008 10 residues pruned to eliminate duplicates Z: 21 18.190 2.047 0.342 0.523 0.950 0.650 CA 1.524 21 residues pruned to eliminate duplicates Z: 7 8.414 1.899 0.403 0.604 0.833 0.667 CA 1.402 7 residues pruned to eliminate duplicates Z: 10 14.005 2.084 0.409 0.775 1.000 0.556 CA 1.247 10 residues pruned to eliminate duplicates Z: 12 14.030 2.090 0.426 0.622 1.000 0.545 CA 1.264 12 residues pruned to eliminate duplicates Z: 14 14.518 2.037 0.600 0.531 0.846 0.308 CA 1.416 14 residues pruned to eliminate duplicates Z: 13 9.628 2.027 0.404 0.516 0.833 0.250 CB 1.154 13 residues pruned to eliminate duplicates Z: 15 6.793 1.926 0.332 0.504 0.643 0.429 CB 1.097 13 residues pruned to eliminate duplicates Z: 10 19.130 2.103 0.543 0.898 1.000 0.889 CB 1.406 14 residues pruned to eliminate duplicates Z: 10 17.831 1.968 0.609 0.891 1.000 0.778 CB 1.350 10 residues pruned to eliminate duplicates Z: 14 17.016 2.039 0.655 0.624 0.923 0.462 CB 1.348 12 residues pruned to eliminate duplicates Z: 10 19.176 1.942 0.625 0.888 1.000 0.889 CA 1.459 10 residues pruned to eliminate duplicates Z: 14 20.985 2.090 0.736 0.630 0.923 0.385 CA 1.537 15 residues pruned to eliminate duplicates 559 residues left after pruning, divided into chains as follows: A: 7 B: 18 C: 44 D: 13 E: 15 F: 13 G: 11 H: 10 I: 7 J: 16 K: 8 L: 13 M: 18 N: 7 O: 26 P: 82 Q: 12 R: 17 S: 190 T: 21 U: 11 CC for partial structure against native data = 19.92 % ------------------------------------------------------------------------------ Global autotracing cycle 21 = 0.300, Contrast = 0.415, Connect. = 0.682 for dens.mod. cycle 1 = 0.300, Contrast = 0.478, Connect. = 0.704 for dens.mod. cycle 2 = 0.300, Contrast = 0.550, Connect. = 0.738 for dens.mod. cycle 3 = 0.300, Contrast = 0.557, Connect. = 0.742 for dens.mod. cycle 4 = 0.300, Contrast = 0.564, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.568, Connect. = 0.750 for dens.mod. cycle 6 = 0.300, Contrast = 0.572, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.574, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.575, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.576, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6898 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1207 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 15.816 1.826 0.613 0.854 0.909 0.727 CB 1.316 B: 15 10.832 2.208 0.156 0.311 0.857 0.357 CA 1.632 C: 12 18.249 1.920 0.610 0.836 1.000 0.727 CB 1.332 12 residues pruned to eliminate duplicates D: 23 15.672 2.146 0.530 0.326 0.864 0.545 CA 1.426 15 residues pruned to eliminate duplicates E: 21 26.464 2.118 0.639 0.811 0.900 0.600 CB 1.444 F: 9 21.689 2.279 0.567 0.885 1.000 0.750 CA 1.550 G: 16 19.723 2.177 0.507 0.852 0.867 0.667 CB 1.325 16 residues pruned to eliminate duplicates H: 21 34.352 2.192 0.635 0.898 0.950 0.850 CA 1.613 8 residues pruned to eliminate duplicates I: 19 16.548 2.105 0.198 0.853 0.889 0.778 CB 1.286 19 residues pruned to eliminate duplicates J: 15 19.228 2.120 0.318 0.776 0.857 0.500 CB 1.681 15 residues pruned to eliminate duplicates K: 10 19.866 2.211 0.517 0.887 0.889 0.889 CA 1.601 L: 11 6.349 1.912 0.170 0.366 0.800 0.500 CB 1.295 M: 20 27.597 2.056 0.679 0.904 0.842 0.526 CA 1.551 20 residues pruned to eliminate duplicates N: 30 12.369 1.963 0.265 0.361 0.862 0.483 CB 1.246 11 residues pruned to eliminate duplicates O: 14 21.028 2.023 0.727 0.895 0.923 0.769 CB 1.296 10 residues pruned to eliminate duplicates P: 17 36.255 2.190 0.638 0.932 1.000 0.812 CB 1.764 Q: 21 30.817 2.070 0.382 0.910 1.000 0.750 CB 1.710 21 residues pruned to eliminate duplicates R: 9 15.503 2.202 0.169 0.890 1.000 0.875 CB 1.531 9 residues pruned to eliminate duplicates S: 15 24.552 2.248 0.517 0.903 0.929 0.929 CB 1.477 15 residues pruned to eliminate duplicates T: 12 24.871 2.092 0.860 0.901 0.909 0.818 CA 1.514 12 residues pruned to eliminate duplicates U: 10 8.940 1.782 0.232 0.526 0.889 0.778 N 1.488 V: 27 16.307 2.029 0.386 0.386 0.808 0.500 CA 1.590 4 residues pruned to eliminate duplicates W: 10 15.866 1.999 0.558 0.888 0.889 0.667 CB 1.376 10 residues pruned to eliminate duplicates X: 44 22.415 2.043 0.435 0.412 0.860 0.488 CA 1.486 Y: 20 39.053 2.300 0.640 0.920 0.947 0.684 CB 1.765 22 residues pruned to eliminate duplicates Z: 12 9.367 2.112 0.246 0.342 1.000 0.455 CB 1.274 Z: 11 6.446 1.719 0.234 0.471 0.700 0.500 CB 1.413 10 residues pruned to eliminate duplicates Z: 11 12.564 1.743 0.721 0.565 0.900 0.500 CB 1.382 Z: 21 32.130 2.245 0.543 0.917 1.000 0.850 CA 1.464 21 residues pruned to eliminate duplicates Z: 16 18.931 1.974 0.231 0.851 0.933 0.600 CA 1.594 16 residues pruned to eliminate duplicates Z: 21 20.403 2.021 0.322 0.887 0.950 0.850 CA 1.296 Z: 22 14.669 2.219 0.581 0.293 0.810 0.476 CA 1.421 22 residues pruned to eliminate duplicates Z: 11 18.290 1.818 0.893 0.847 1.000 0.700 CA 1.247 7 residues pruned to eliminate duplicates Z: 22 31.631 2.060 0.407 0.921 1.000 0.905 CB 1.675 18 residues pruned to eliminate duplicates Z: 17 31.104 2.225 0.703 0.891 0.938 0.688 CA 1.574 17 residues pruned to eliminate duplicates Z: 51 39.453 2.149 0.673 0.624 0.900 0.460 CA 1.535 20 residues pruned to eliminate duplicates Z: 20 19.389 2.065 0.145 0.872 1.000 0.842 CA 1.371 20 residues pruned to eliminate duplicates Z: 17 17.436 2.150 0.177 0.840 0.938 0.688 CB 1.371 17 residues pruned to eliminate duplicates Z: 8 10.013 1.908 0.508 0.533 0.857 0.571 N 1.486 Z: 10 18.118 2.091 0.441 0.799 1.000 0.667 CB 1.543 10 residues pruned to eliminate duplicates Z: 11 8.869 2.193 -0.027 0.399 0.900 0.500 CA 1.624 Z: 18 7.262 1.976 0.023 0.394 0.647 0.471 CB 1.506 18 residues pruned to eliminate duplicates Z: 14 19.800 1.907 0.634 0.890 0.923 0.692 CA 1.373 13 residues pruned to eliminate duplicates Z: 11 18.019 2.032 0.526 0.856 0.900 0.600 CA 1.506 11 residues pruned to eliminate duplicates Z: 24 31.139 1.983 0.587 0.862 1.000 0.565 CA 1.516 24 residues pruned to eliminate duplicates Z: 22 41.049 2.158 1.008 0.895 0.905 0.476 CA 1.638 22 residues pruned to eliminate duplicates Z: 24 32.830 2.013 0.638 0.880 0.957 0.609 CA 1.572 24 residues pruned to eliminate duplicates Z: 13 17.682 2.059 0.366 0.865 0.917 0.750 CA 1.450 13 residues pruned to eliminate duplicates Z: 19 15.335 1.957 0.386 0.407 1.000 0.556 CB 1.470 19 residues pruned to eliminate duplicates Z: 16 9.763 1.940 0.222 0.393 0.800 0.333 CB 1.488 11 residues pruned to eliminate duplicates Z: 13 9.413 1.901 0.103 0.434 0.917 0.333 CA 1.513 Z: 28 14.504 1.947 0.267 0.489 0.852 0.481 CB 1.343 10 residues pruned to eliminate duplicates Z: 10 17.160 1.783 1.032 0.789 1.000 0.556 CA 1.225 10 residues pruned to eliminate duplicates Z: 22 38.031 2.218 0.828 0.889 0.952 0.619 CA 1.547 22 residues pruned to eliminate duplicates Z: 12 13.244 2.072 0.585 0.379 1.000 0.636 CB 1.383 12 residues pruned to eliminate duplicates Z: 11 18.693 1.980 0.444 0.875 1.000 1.000 CB 1.503 11 residues pruned to eliminate duplicates Z: 11 6.758 1.636 0.613 0.393 0.700 0.400 CB 1.295 11 residues pruned to eliminate duplicates Z: 51 47.660 2.205 0.708 0.647 0.980 0.540 CA 1.591 51 residues pruned to eliminate duplicates Z: 54 28.440 1.945 0.468 0.536 0.943 0.660 CA 1.400 24 residues pruned to eliminate duplicates Z: 11 7.646 1.928 0.363 0.447 0.800 0.500 CB 1.215 Z: 21 33.096 2.076 0.520 0.865 1.000 0.650 CA 1.718 21 residues pruned to eliminate duplicates Z: 15 14.110 2.176 0.233 0.568 0.929 0.571 CA 1.418 Z: 22 45.055 2.244 1.000 0.926 1.000 0.571 CA 1.536 22 residues pruned to eliminate duplicates Z: 22 34.211 2.052 0.736 0.880 0.905 0.571 CA 1.678 21 residues pruned to eliminate duplicates Z: 17 10.111 1.927 0.321 0.320 0.812 0.438 CA 1.491 17 residues pruned to eliminate duplicates Z: 46 33.356 2.109 0.568 0.538 0.933 0.644 CA 1.552 46 residues pruned to eliminate duplicates Z: 22 38.597 2.199 0.919 0.868 0.952 0.476 CA 1.533 22 residues pruned to eliminate duplicates Z: 29 16.675 1.969 0.529 0.333 0.821 0.357 CB 1.530 Z: 39 32.706 2.061 0.588 0.632 0.921 0.763 CA 1.554 38 residues pruned to eliminate duplicates Z: 21 34.746 2.198 0.657 0.920 1.000 0.950 CA 1.503 21 residues pruned to eliminate duplicates Z: 10 14.202 1.969 0.350 0.802 0.889 0.778 N 1.539 10 residues pruned to eliminate duplicates Z: 26 16.545 2.011 0.439 0.350 0.840 0.560 CB 1.603 27 residues pruned to eliminate duplicates Z: 26 10.611 1.863 0.264 0.384 0.880 0.640 CB 1.157 26 residues pruned to eliminate duplicates Z: 60 40.358 2.191 0.611 0.517 0.881 0.492 CA 1.661 62 residues pruned to eliminate duplicates Z: 8 10.500 1.824 0.733 0.697 0.857 0.571 CB 1.223 8 residues pruned to eliminate duplicates Z: 9 5.906 1.758 0.228 0.425 0.750 0.500 CB 1.393 Z: 65 43.262 2.122 0.658 0.571 0.953 0.609 CA 1.506 65 residues pruned to eliminate duplicates Z: 22 36.177 2.135 0.545 0.923 1.000 0.714 CB 1.682 24 residues pruned to eliminate duplicates Z: 20 10.784 1.972 0.195 0.416 0.895 0.474 CB 1.282 20 residues pruned to eliminate duplicates Z: 16 15.311 2.078 0.323 0.493 0.867 0.733 CA 1.670 16 residues pruned to eliminate duplicates Z: 17 20.943 2.179 0.420 0.813 0.875 0.438 CB 1.473 17 residues pruned to eliminate duplicates Z: 8 10.077 1.908 0.353 0.557 1.000 0.571 CA 1.397 8 residues pruned to eliminate duplicates Z: 7 4.622 1.842 0.375 0.399 0.667 0.333 CB 1.243 Z: 41 26.932 2.081 0.460 0.466 0.925 0.550 CA 1.569 44 residues pruned to eliminate duplicates Z: 9 13.927 1.859 0.627 0.853 1.000 0.875 CA 1.202 9 residues pruned to eliminate duplicates Z: 11 10.771 1.956 0.277 0.619 0.900 0.700 CA 1.354 Z: 23 30.549 1.993 0.628 0.841 0.955 0.591 CB 1.567 23 residues pruned to eliminate duplicates Z: 11 12.824 2.005 0.399 0.563 1.000 0.800 CB 1.360 11 residues pruned to eliminate duplicates Z: 26 18.420 2.085 0.483 0.394 0.840 0.600 CA 1.587 26 residues pruned to eliminate duplicates Z: 17 16.499 2.270 0.003 0.897 0.938 0.812 CB 1.383 17 residues pruned to eliminate duplicates Z: 16 11.675 1.874 0.675 0.413 0.733 0.533 N 1.434 16 residues pruned to eliminate duplicates Z: 29 15.611 2.028 0.633 0.324 0.750 0.500 CA 1.442 29 residues pruned to eliminate duplicates Z: 13 19.228 2.033 0.478 0.887 0.917 0.750 CB 1.453 13 residues pruned to eliminate duplicates Z: 45 21.420 2.026 0.458 0.389 0.818 0.386 CB 1.504 45 residues pruned to eliminate duplicates Z: 12 10.483 2.073 0.490 0.397 0.909 0.636 CB 1.254 11 residues pruned to eliminate duplicates Z: 50 30.868 2.102 0.354 0.637 0.959 0.673 CA 1.420 48 residues pruned to eliminate duplicates Z: 19 13.914 1.989 0.526 0.413 0.778 0.556 CB 1.521 19 residues pruned to eliminate duplicates Z: 21 41.395 2.283 0.899 0.912 0.950 0.900 CA 1.591 21 residues pruned to eliminate duplicates Z: 18 11.037 2.076 0.383 0.294 0.765 0.471 CA 1.536 18 residues pruned to eliminate duplicates Z: 9 7.845 1.901 0.729 0.520 0.750 0.375 CB 1.103 9 residues pruned to eliminate duplicates Z: 21 35.746 2.117 0.563 0.891 1.000 0.800 CB 1.736 21 residues pruned to eliminate duplicates Z: 11 13.753 1.773 0.673 0.704 1.000 0.800 CA 1.217 11 residues pruned to eliminate duplicates Z: 8 3.916 1.803 0.457 0.349 0.857 0.571 CB 0.774 9 residues pruned to eliminate duplicates Z: 18 11.030 1.910 0.269 0.419 0.765 0.471 CA 1.570 18 residues pruned to eliminate duplicates Z: 11 18.926 1.979 0.816 0.824 0.900 0.300 CB 1.398 11 residues pruned to eliminate duplicates Z: 22 35.709 2.207 0.608 0.911 1.000 0.714 CA 1.556 22 residues pruned to eliminate duplicates Z: 11 10.291 2.004 0.502 0.683 0.800 0.600 CB 1.142 11 residues pruned to eliminate duplicates Z: 11 7.642 1.889 0.369 0.518 0.900 0.600 CB 1.019 11 residues pruned to eliminate duplicates Z: 66 40.796 2.199 0.674 0.543 0.877 0.508 CA 1.503 66 residues pruned to eliminate duplicates Z: 59 38.564 2.109 0.546 0.621 0.948 0.500 CA 1.461 59 residues pruned to eliminate duplicates Z: 14 13.677 2.069 0.379 0.784 0.846 0.538 CB 1.224 14 residues pruned to eliminate duplicates Z: 10 9.948 1.983 0.450 0.550 0.778 0.667 CB 1.412 8 residues pruned to eliminate duplicates Z: 6 7.946 2.102 0.010 0.539 1.000 0.600 N 1.611 6 residues pruned to eliminate duplicates Z: 6 7.532 1.989 0.616 0.531 0.800 0.600 CA 1.271 Z: 18 29.068 2.134 0.892 0.868 0.941 0.412 CB 1.356 19 residues pruned to eliminate duplicates Z: 12 17.575 2.200 0.526 0.908 0.909 0.909 CA 1.232 12 residues pruned to eliminate duplicates Z: 42 22.973 2.060 0.426 0.440 0.854 0.537 CA 1.522 42 residues pruned to eliminate duplicates Z: 65 44.807 2.121 0.684 0.571 0.953 0.531 CB 1.536 65 residues pruned to eliminate duplicates Z: 17 21.079 2.152 0.470 0.822 0.875 0.688 CB 1.440 17 residues pruned to eliminate duplicates Z: 21 34.644 2.139 0.477 0.895 1.000 0.600 CA 1.757 21 residues pruned to eliminate duplicates Z: 22 34.221 2.166 0.598 0.916 1.000 0.952 CA 1.523 22 residues pruned to eliminate duplicates Z: 22 30.077 2.092 0.479 0.902 0.952 0.810 CB 1.588 22 residues pruned to eliminate duplicates Z: 8 3.694 1.652 0.340 0.323 0.714 0.286 CB 1.073 Z: 7 5.395 1.655 0.276 0.550 0.833 0.667 CB 1.192 Z: 50 40.892 2.221 0.594 0.649 0.898 0.571 CA 1.599 50 residues pruned to eliminate duplicates Z: 16 25.965 2.054 0.710 0.835 0.933 0.667 CB 1.532 16 residues pruned to eliminate duplicates Z: 8 14.433 1.952 1.163 0.674 1.000 0.714 CA 1.100 8 residues pruned to eliminate duplicates Z: 21 10.480 1.846 0.248 0.307 0.900 0.500 CB 1.401 15 residues pruned to eliminate duplicates Z: 25 15.143 2.020 0.715 0.329 0.792 0.500 CA 1.359 24 residues pruned to eliminate duplicates Z: 7 5.834 1.862 0.076 0.562 0.833 0.667 N 1.344 Z: 15 15.136 2.063 0.253 0.878 0.714 0.286 N 1.590 15 residues pruned to eliminate duplicates Z: 9 10.846 2.030 0.230 0.866 0.875 0.625 CB 1.285 9 residues pruned to eliminate duplicates Z: 17 5.610 1.679 0.184 0.264 0.750 0.375 CA 1.231 Z: 66 41.885 2.116 0.549 0.602 0.969 0.600 CA 1.484 64 residues pruned to eliminate duplicates Z: 8 3.067 1.458 0.148 0.273 0.857 0.571 C 1.046 Z: 28 12.373 1.831 0.395 0.380 0.815 0.481 CA 1.301 28 residues pruned to eliminate duplicates Z: 42 33.697 2.144 0.598 0.589 0.927 0.390 CA 1.521 42 residues pruned to eliminate duplicates Z: 46 35.106 2.089 0.714 0.531 0.911 0.644 CA 1.556 46 residues pruned to eliminate duplicates Z: 18 13.427 1.944 0.077 0.871 0.941 0.706 CA 1.206 18 residues pruned to eliminate duplicates Z: 8 18.732 1.964 0.995 0.779 1.000 0.714 CA 1.413 8 residues pruned to eliminate duplicates Z: 12 18.474 1.987 0.628 0.791 0.909 0.636 CA 1.466 12 residues pruned to eliminate duplicates Z: 21 41.081 2.263 0.736 0.924 1.000 0.400 CA 1.642 21 residues pruned to eliminate duplicates Z: 22 35.802 2.142 0.828 0.877 0.905 0.381 CA 1.602 22 residues pruned to eliminate duplicates Z: 12 9.985 1.847 0.888 0.378 0.636 0.364 CB 1.544 Z: 13 7.544 2.056 0.148 0.351 0.667 0.250 CB 1.626 13 residues pruned to eliminate duplicates Z: 19 19.103 2.010 0.374 0.892 0.944 0.833 CA 1.239 19 residues pruned to eliminate duplicates Z: 9 11.155 2.123 0.156 0.572 1.000 0.750 N 1.499 Z: 13 8.921 1.746 0.483 0.366 0.917 0.500 CA 1.252 14 residues pruned to eliminate duplicates Z: 20 26.923 2.122 0.766 0.899 1.000 0.737 CB 1.178 20 residues pruned to eliminate duplicates Z: 13 14.893 1.963 0.357 0.798 0.917 0.750 CB 1.357 13 residues pruned to eliminate duplicates Z: 21 9.643 2.013 0.419 0.347 0.850 0.550 CA 1.048 21 residues pruned to eliminate duplicates Z: 14 12.231 1.908 0.413 0.456 0.923 0.462 CA 1.426 13 residues pruned to eliminate duplicates Z: 6 6.279 1.998 0.694 0.298 0.800 0.400 CA 1.301 6 residues pruned to eliminate duplicates Z: 7 4.264 1.526 0.135 0.511 1.000 0.500 N 0.994 7 residues pruned to eliminate duplicates Z: 12 6.556 1.847 0.169 0.330 0.909 0.636 CB 1.212 12 residues pruned to eliminate duplicates Z: 19 15.633 1.974 0.399 0.451 0.889 0.556 CB 1.578 20 residues pruned to eliminate duplicates Z: 57 34.397 2.066 0.504 0.576 0.911 0.554 CA 1.509 57 residues pruned to eliminate duplicates Z: 10 10.551 2.000 0.256 0.609 0.889 0.556 CB 1.420 10 residues pruned to eliminate duplicates Z: 42 22.640 2.007 0.454 0.477 0.902 0.585 CB 1.374 47 residues pruned to eliminate duplicates Z: 7 5.049 1.691 0.068 0.526 0.833 0.667 CB 1.334 Z: 7 8.725 1.949 0.280 0.592 0.833 0.833 CB 1.569 Z: 15 22.447 2.011 0.940 0.929 1.000 0.429 CA 1.076 15 residues pruned to eliminate duplicates Z: 13 6.062 1.676 0.120 0.442 0.917 0.417 CB 1.080 13 residues pruned to eliminate duplicates Z: 27 16.693 2.013 0.334 0.451 0.885 0.538 CA 1.449 27 residues pruned to eliminate duplicates Z: 12 5.220 1.803 0.363 0.487 0.727 0.545 CA 0.893 12 residues pruned to eliminate duplicates Z: 8 6.083 1.739 0.064 0.643 0.857 0.714 N 1.269 8 residues pruned to eliminate duplicates Z: 20 30.413 2.097 0.527 0.869 0.947 0.684 CB 1.680 20 residues pruned to eliminate duplicates Z: 18 27.424 2.079 0.745 0.867 1.000 0.471 CA 1.341 18 residues pruned to eliminate duplicates Z: 12 13.146 2.003 0.266 0.878 0.818 0.727 CA 1.386 12 residues pruned to eliminate duplicates Z: 7 4.590 1.615 0.543 0.364 0.833 0.500 CA 1.044 Z: 21 11.866 1.835 0.718 0.281 0.800 0.450 CA 1.348 21 residues pruned to eliminate duplicates Z: 46 22.143 2.083 0.474 0.398 0.800 0.556 CA 1.496 46 residues pruned to eliminate duplicates Z: 17 10.097 1.987 0.487 0.332 0.812 0.500 CB 1.263 17 residues pruned to eliminate duplicates Z: 16 12.618 2.041 0.612 0.381 0.800 0.467 CB 1.404 15 residues pruned to eliminate duplicates Z: 7 2.728 1.241 0.399 0.372 0.833 0.500 N 0.883 Z: 59 22.996 1.967 0.278 0.512 0.828 0.552 CB 1.435 60 residues pruned to eliminate duplicates Z: 7 4.978 1.503 0.443 0.377 1.000 0.500 CB 1.068 Z: 7 3.642 1.688 0.054 0.510 0.833 0.500 CB 0.993 Z: 18 21.637 1.989 0.772 0.883 0.765 0.471 CB 1.408 18 residues pruned to eliminate duplicates Z: 12 11.465 1.822 0.656 0.818 0.727 0.455 CB 1.195 12 residues pruned to eliminate duplicates Z: 16 17.023 1.955 0.422 0.875 0.867 0.667 CA 1.327 16 residues pruned to eliminate duplicates Z: 15 9.089 1.887 0.413 0.254 0.929 0.571 CB 1.301 Z: 20 17.550 2.025 0.195 0.842 0.895 0.579 CB 1.386 20 residues pruned to eliminate duplicates Z: 6 5.741 1.860 0.637 0.681 1.000 0.800 CB 0.715 Z: 13 10.182 1.962 0.113 0.499 0.917 0.417 CA 1.469 13 residues pruned to eliminate duplicates Z: 7 5.255 1.641 0.520 0.462 0.833 0.667 CB 1.073 7 residues pruned to eliminate duplicates Z: 25 11.267 1.960 0.318 0.413 0.875 0.583 CB 1.115 25 residues pruned to eliminate duplicates Z: 17 17.183 2.055 0.630 0.843 0.812 0.375 CA 1.175 17 residues pruned to eliminate duplicates Z: 21 32.808 2.228 0.440 0.922 1.000 0.950 CA 1.608 21 residues pruned to eliminate duplicates Z: 42 20.639 2.094 0.361 0.397 0.829 0.463 CA 1.521 43 residues pruned to eliminate duplicates Z: 6 9.336 1.816 0.140 0.864 1.000 0.800 CB 1.479 9 residues pruned to eliminate duplicates Z: 14 5.486 1.831 0.101 0.469 0.846 0.462 CB 0.920 14 residues pruned to eliminate duplicates Z: 13 13.145 1.826 0.590 0.828 0.750 0.417 CA 1.312 13 residues pruned to eliminate duplicates Z: 21 25.064 2.070 0.515 0.853 1.000 0.750 CB 1.322 21 residues pruned to eliminate duplicates Z: 9 11.255 2.022 0.660 0.380 1.000 0.375 CA 1.347 9 residues pruned to eliminate duplicates Z: 16 36.225 2.160 1.025 0.901 1.000 0.800 CA 1.526 16 residues pruned to eliminate duplicates Z: 6 4.778 1.397 0.522 0.633 0.800 0.600 CA 1.109 Z: 28 15.825 1.885 0.530 0.460 0.815 0.519 CA 1.350 27 residues pruned to eliminate duplicates Z: 11 14.886 1.725 0.562 0.787 1.000 0.600 O 1.358 11 residues pruned to eliminate duplicates Z: 19 19.142 2.051 0.201 0.863 1.000 0.944 CB 1.343 19 residues pruned to eliminate duplicates Z: 16 9.671 1.793 0.341 0.333 0.933 0.533 CB 1.335 8 residues pruned to eliminate duplicates Z: 8 4.417 1.609 0.365 0.643 0.857 0.571 CB 0.775 7 residues pruned to eliminate duplicates Z: 8 6.515 1.862 0.032 0.470 0.857 0.429 CA 1.542 Z: 17 11.168 1.835 0.188 0.768 0.938 0.438 CA 1.077 17 residues pruned to eliminate duplicates Z: 24 20.782 2.029 0.559 0.511 0.870 0.739 CB 1.559 24 residues pruned to eliminate duplicates Z: 25 18.479 2.103 0.469 0.441 0.958 0.500 CA 1.354 24 residues pruned to eliminate duplicates Z: 10 12.281 1.732 0.672 0.826 1.000 0.556 CA 1.066 10 residues pruned to eliminate duplicates Z: 84 41.862 2.064 0.577 0.562 0.916 0.578 CA 1.451 91 residues pruned to eliminate duplicates Z: 23 13.083 1.816 0.587 0.356 0.864 0.500 CA 1.309 23 residues pruned to eliminate duplicates Z: 6 8.441 1.906 -0.053 0.833 1.000 0.800 CB 1.569 6 residues pruned to eliminate duplicates Z: 17 10.347 1.874 0.362 0.495 0.812 0.438 CB 1.254 17 residues pruned to eliminate duplicates Z: 12 8.602 1.841 0.299 0.502 0.909 0.545 CB 1.191 12 residues pruned to eliminate duplicates Z: 44 36.482 2.181 0.530 0.652 0.977 0.628 CA 1.482 44 residues pruned to eliminate duplicates Z: 8 4.646 1.811 0.069 0.407 0.714 0.429 CB 1.400 Z: 17 16.005 2.084 0.521 0.438 0.938 0.438 CA 1.436 17 residues pruned to eliminate duplicates Z: 22 15.309 1.939 0.337 0.404 0.952 0.571 CA 1.497 21 residues pruned to eliminate duplicates Z: 18 21.315 2.086 0.670 0.562 0.824 0.588 CA 1.696 19 residues pruned to eliminate duplicates Z: 48 25.730 2.069 0.470 0.365 0.894 0.489 CA 1.596 49 residues pruned to eliminate duplicates Z: 13 10.274 2.008 0.325 0.678 0.750 0.417 CA 1.261 13 residues pruned to eliminate duplicates Z: 12 6.062 1.790 0.670 0.201 0.818 0.364 CA 1.065 12 residues pruned to eliminate duplicates Z: 15 10.828 2.051 0.452 0.446 1.000 0.786 CA 1.027 15 residues pruned to eliminate duplicates Z: 18 6.692 1.773 0.188 0.356 0.824 0.294 CB 1.092 18 residues pruned to eliminate duplicates Z: 21 28.319 1.999 0.556 0.915 1.000 0.800 CA 1.439 21 residues pruned to eliminate duplicates 7 1.854 1.693 0.258 0.293 0.833 0.667 CB 0.538 ? Z: 14 13.062 1.907 0.614 0.535 0.846 0.462 CA 1.344 14 residues pruned to eliminate duplicates Z: 10 16.870 2.182 0.308 0.890 0.889 0.889 CA 1.595 10 residues pruned to eliminate duplicates Z: 18 8.832 1.768 0.279 0.458 0.824 0.529 CA 1.200 16 residues pruned to eliminate duplicates Z: 20 15.562 2.171 0.367 0.395 0.895 0.474 CA 1.502 20 residues pruned to eliminate duplicates Z: 10 10.604 2.115 0.028 0.564 1.000 0.889 CB 1.528 16 residues pruned to eliminate duplicates Z: 6 8.796 1.936 0.197 0.673 1.000 0.600 CA 1.447 Z: 31 17.296 2.088 0.287 0.572 0.800 0.633 CA 1.371 31 residues pruned to eliminate duplicates Z: 11 12.911 1.908 0.335 0.606 0.900 0.700 C 1.610 11 residues pruned to eliminate duplicates Z: 68 35.426 2.059 0.528 0.574 0.866 0.627 CA 1.480 68 residues pruned to eliminate duplicates Z: 11 11.148 1.967 0.402 0.509 0.900 0.600 CB 1.408 11 residues pruned to eliminate duplicates Z: 20 13.119 1.816 0.508 0.382 0.895 0.474 CA 1.392 19 residues pruned to eliminate duplicates Z: 13 7.652 2.048 0.518 0.394 0.667 0.500 CA 1.193 13 residues pruned to eliminate duplicates Z: 32 21.730 2.009 0.293 0.647 0.871 0.710 CB 1.503 32 residues pruned to eliminate duplicates Z: 26 19.771 2.014 0.422 0.488 0.880 0.600 CA 1.587 26 residues pruned to eliminate duplicates Z: 18 15.999 1.947 0.269 0.931 1.000 0.941 CA 1.097 18 residues pruned to eliminate duplicates Z: 12 6.373 1.742 0.398 0.287 0.818 0.455 CA 1.226 6 residues pruned to eliminate duplicates Z: 6 4.854 1.704 0.228 0.796 0.800 0.600 CA 1.001 Z: 11 4.660 1.641 -0.034 0.385 0.800 0.400 CB 1.313 Z: 12 8.901 2.150 0.228 0.309 1.000 0.636 CB 1.256 12 residues pruned to eliminate duplicates Z: 38 33.043 2.021 0.694 0.707 0.946 0.622 CA 1.390 38 residues pruned to eliminate duplicates Z: 21 11.828 1.953 0.202 0.397 0.900 0.500 CB 1.394 21 residues pruned to eliminate duplicates Z: 25 14.562 1.961 0.498 0.433 0.833 0.625 CA 1.302 25 residues pruned to eliminate duplicates Z: 63 41.682 2.205 0.631 0.553 0.887 0.581 CA 1.576 63 residues pruned to eliminate duplicates Z: 29 15.203 1.956 0.446 0.321 0.821 0.464 CB 1.507 29 residues pruned to eliminate duplicates Z: 6 2.368 1.564 -0.126 0.497 1.000 0.800 CB 0.777 Z: 7 5.423 1.918 0.355 0.349 0.667 0.333 CB 1.504 7 residues pruned to eliminate duplicates Z: 10 3.070 1.505 -0.280 0.329 0.889 0.667 C 1.281 10 residues pruned to eliminate duplicates Z: 9 3.075 1.625 -0.033 0.267 0.750 0.375 CB 1.203 Z: 9 4.626 1.876 0.445 0.275 0.750 0.500 CB 1.039 9 residues pruned to eliminate duplicates Z: 8 4.421 1.683 -0.180 0.487 1.000 0.571 CB 1.226 8 residues pruned to eliminate duplicates Z: 15 10.230 1.788 0.216 0.498 0.857 0.500 CB 1.470 15 residues pruned to eliminate duplicates Z: 20 24.525 2.024 0.582 0.865 0.947 0.579 CB 1.359 20 residues pruned to eliminate duplicates 6 1.932 1.353 -0.047 0.379 0.800 0.400 CA 0.953 ? Z: 6 4.852 1.734 0.294 0.743 1.000 0.600 CA 0.778 Z: 23 11.742 1.974 0.401 0.430 0.727 0.545 CB 1.338 23 residues pruned to eliminate duplicates Z: 6 2.693 1.320 0.433 0.297 0.800 0.400 N 0.998 6 residues pruned to eliminate duplicates Z: 36 19.805 1.971 0.371 0.557 0.943 0.543 CA 1.243 36 residues pruned to eliminate duplicates Z: 9 3.143 1.424 0.106 0.370 0.875 0.500 CB 0.927 Z: 17 25.192 2.259 0.493 0.869 0.938 0.688 CB 1.455 17 residues pruned to eliminate duplicates Z: 7 3.071 1.858 0.360 0.083 0.833 0.333 CB 1.020 7 residues pruned to eliminate duplicates Z: 11 5.361 1.746 0.305 0.408 0.700 0.600 CB 1.170 7 residues pruned to eliminate duplicates Z: 21 16.462 1.988 0.479 0.533 0.950 0.600 CB 1.276 30 residues pruned to eliminate duplicates Z: 7 10.409 1.717 0.976 0.780 0.833 0.667 CB 1.175 7 residues pruned to eliminate duplicates Z: 6 6.224 1.551 0.513 0.715 1.000 0.800 CB 0.976 Z: 57 25.866 1.995 0.365 0.531 0.839 0.607 CB 1.468 63 residues pruned to eliminate duplicates Z: 6 6.348 1.532 0.018 0.829 1.000 1.000 O 1.370 6 residues pruned to eliminate duplicates 6 1.877 1.755 0.347 0.524 0.800 0.800 CB 0.434 ? Z: 18 7.936 1.811 0.448 0.201 0.765 0.176 CB 1.369 18 residues pruned to eliminate duplicates Z: 83 42.260 2.101 0.493 0.568 0.902 0.610 CA 1.544 83 residues pruned to eliminate duplicates Z: 8 3.546 1.677 -0.022 0.315 0.857 0.571 CA 1.170 8 residues pruned to eliminate duplicates Z: 8 7.979 1.799 0.029 0.667 1.000 0.571 N 1.396 14 residues pruned to eliminate duplicates Z: 11 14.680 2.124 0.338 0.860 0.900 0.600 CB 1.334 11 residues pruned to eliminate duplicates Z: 6 3.879 1.860 -0.151 0.471 1.000 0.400 C 1.130 Z: 11 13.619 2.092 0.536 0.411 1.000 0.400 CB 1.472 11 residues pruned to eliminate duplicates Z: 15 9.870 1.932 0.534 0.360 0.857 0.643 CA 1.208 15 residues pruned to eliminate duplicates Z: 6 3.044 1.634 -0.161 0.389 1.000 0.400 CB 1.117 6 residues pruned to eliminate duplicates Z: 13 7.624 1.529 0.626 0.461 0.750 0.583 CB 1.228 12 residues pruned to eliminate duplicates Z: 15 15.662 1.972 0.623 0.427 1.000 0.786 CA 1.411 15 residues pruned to eliminate duplicates Z: 7 4.281 1.635 0.224 0.353 0.833 0.333 CB 1.229 Z: 19 13.689 1.831 0.314 0.859 1.000 0.778 CA 0.987 19 residues pruned to eliminate duplicates Z: 17 10.781 1.865 0.420 0.329 0.875 0.375 CB 1.403 16 residues pruned to eliminate duplicates Z: 21 11.922 1.827 0.542 0.264 0.900 0.450 CA 1.375 21 residues pruned to eliminate duplicates Z: 14 7.878 1.844 0.486 0.427 0.846 0.385 CB 1.016 14 residues pruned to eliminate duplicates Z: 19 28.112 1.866 0.883 0.861 1.000 0.556 CA 1.386 19 residues pruned to eliminate duplicates Z: 8 6.653 1.897 0.955 0.687 0.857 0.714 CB 0.666 Z: 21 12.770 1.918 0.213 0.367 0.900 0.500 CB 1.574 21 residues pruned to eliminate duplicates Z: 8 4.326 1.790 0.502 0.277 0.571 0.429 CB 1.369 8 residues pruned to eliminate duplicates Z: 51 27.399 2.049 0.334 0.554 0.840 0.560 CA 1.602 51 residues pruned to eliminate duplicates Z: 8 7.654 1.659 0.842 0.360 0.857 0.286 N 1.284 Z: 6 2.820 1.429 0.387 0.371 0.800 0.400 N 0.914 Z: 15 14.860 2.152 0.332 0.488 0.929 0.500 CB 1.509 15 residues pruned to eliminate duplicates Z: 6 4.372 1.606 0.727 0.627 0.800 0.800 CB 0.782 6 residues pruned to eliminate duplicates Z: 26 15.464 2.032 0.472 0.324 0.840 0.480 CB 1.493 26 residues pruned to eliminate duplicates Z: 11 3.106 1.500 0.147 0.341 0.700 0.500 CA 0.970 11 residues pruned to eliminate duplicates Z: 6 4.031 1.622 0.297 0.656 1.000 0.800 CB 0.741 5 residues pruned to eliminate duplicates Z: 8 2.894 1.282 0.157 0.431 0.857 0.571 C 0.924 Z: 8 3.209 1.247 0.609 0.315 0.857 0.286 N 0.866 Z: 6 10.455 1.797 0.741 0.681 1.000 0.800 CA 1.265 Z: 6 2.947 1.746 -0.051 0.445 0.600 0.600 CB 1.403 Z: 12 6.603 1.836 0.464 0.258 0.818 0.273 CA 1.195 12 residues pruned to eliminate duplicates 7 1.992 1.381 0.304 0.248 0.667 0.667 CB 0.905 ? Z: 10 13.231 1.797 0.852 0.832 0.889 0.667 CA 1.119 10 residues pruned to eliminate duplicates Z: 25 13.090 1.853 0.542 0.448 0.833 0.625 CB 1.184 25 residues pruned to eliminate duplicates Z: 10 8.802 1.780 0.699 0.382 0.778 0.556 CA 1.415 13 residues pruned to eliminate duplicates Z: 10 10.136 1.893 0.154 0.665 1.000 0.667 CB 1.327 10 residues pruned to eliminate duplicates Z: 7 2.597 1.673 0.005 0.472 0.667 0.667 CB 0.973 Z: 10 7.799 1.696 0.636 0.567 0.778 0.667 CA 1.129 10 residues pruned to eliminate duplicates Z: 9 9.759 1.910 0.548 0.553 0.750 0.500 C 1.477 9 residues pruned to eliminate duplicates 7 0.838 1.322 -0.100 0.318 0.833 0.333 CB 0.422 ? 6 1.258 1.440 -0.100 0.297 0.600 0.600 CB 0.907 ? Z: 13 14.405 1.850 0.535 0.891 0.917 0.917 CA 1.149 13 residues pruned to eliminate duplicates Z: 18 17.216 1.905 0.497 0.737 0.882 0.529 CB 1.341 18 residues pruned to eliminate duplicates Z: 21 16.802 2.037 0.439 0.497 0.850 0.550 CB 1.512 21 residues pruned to eliminate duplicates Z: 10 8.476 1.905 0.561 0.349 1.000 0.333 CB 1.120 8 residues pruned to eliminate duplicates Z: 6 5.476 1.548 0.305 0.566 1.000 0.400 O 1.137 Z: 17 12.335 2.023 0.391 0.368 0.875 0.375 CB 1.442 17 residues pruned to eliminate duplicates Z: 20 11.637 1.879 0.404 0.338 0.842 0.368 CB 1.433 17 residues pruned to eliminate duplicates Z: 6 2.078 1.518 0.056 0.470 0.800 0.600 CB 0.747 Z: 50 41.915 2.212 0.677 0.634 0.918 0.531 CA 1.550 50 residues pruned to eliminate duplicates Z: 8 2.529 1.481 0.252 0.290 0.571 0.571 N 1.142 Z: 11 6.051 1.679 0.213 0.398 0.900 0.700 CA 1.162 11 residues pruned to eliminate duplicates Z: 15 11.121 1.732 0.302 0.492 0.929 0.571 CB 1.430 17 residues pruned to eliminate duplicates Z: 7 7.720 1.600 0.664 0.527 1.000 0.667 CA 1.153 Z: 12 10.005 1.836 0.209 0.485 0.909 0.545 N 1.519 12 residues pruned to eliminate duplicates Z: 21 36.500 2.090 0.682 0.916 1.000 0.750 CA 1.640 21 residues pruned to eliminate duplicates Z: 6 4.417 1.327 0.078 0.872 1.000 1.000 CB 1.006 Z: 11 25.225 2.150 0.715 0.891 1.000 0.900 CB 1.556 11 residues pruned to eliminate duplicates Z: 7 8.066 2.004 0.357 0.624 0.833 0.667 CB 1.293 7 residues pruned to eliminate duplicates Z: 7 4.399 1.639 0.558 0.262 0.833 0.333 CB 1.108 Z: 20 21.585 2.012 0.503 0.845 0.895 0.579 CA 1.362 20 residues pruned to eliminate duplicates Z: 16 21.722 2.098 0.770 0.835 0.800 0.200 CB 1.414 16 residues pruned to eliminate duplicates Z: 7 5.695 1.880 0.475 0.538 0.667 0.333 CB 1.212 Z: 8 3.502 1.380 0.652 0.415 0.857 0.857 CB 0.740 Z: 24 15.833 2.051 0.462 0.336 0.870 0.435 CA 1.513 24 residues pruned to eliminate duplicates Z: 15 17.297 1.944 0.891 0.879 0.857 0.286 CA 1.064 15 residues pruned to eliminate duplicates Z: 26 14.613 1.985 0.363 0.427 0.960 0.640 CB 1.214 22 residues pruned to eliminate duplicates Z: 21 29.051 2.246 0.427 0.901 0.950 0.700 CA 1.522 21 residues pruned to eliminate duplicates Z: 7 3.321 1.583 0.109 0.358 0.833 0.333 CB 1.080 5 residues pruned to eliminate duplicates Z: 14 19.824 2.158 0.395 0.512 1.000 0.692 N 1.804 14 residues pruned to eliminate duplicates Z: 12 7.783 1.875 0.337 0.426 0.909 0.545 CA 1.112 12 residues pruned to eliminate duplicates Z: 11 5.737 1.779 0.286 0.364 0.900 0.500 CA 1.019 11 residues pruned to eliminate duplicates Z: 21 42.296 2.214 0.774 0.905 1.000 0.750 CA 1.715 21 residues pruned to eliminate duplicates Z: 10 10.376 1.954 0.159 0.578 1.000 0.444 CA 1.418 10 residues pruned to eliminate duplicates Z: 20 17.939 2.065 0.386 0.437 0.947 0.684 CA 1.620 20 residues pruned to eliminate duplicates Z: 15 19.043 2.186 0.144 0.921 1.000 0.786 CB 1.432 15 residues pruned to eliminate duplicates Z: 7 4.315 1.722 -0.030 0.498 0.833 0.333 C 1.269 Z: 8 11.515 1.955 0.699 0.715 1.000 0.857 CB 1.079 8 residues pruned to eliminate duplicates Z: 6 11.191 1.653 1.162 0.680 1.000 1.000 CA 1.186 6 residues pruned to eliminate duplicates Z: 15 5.828 1.603 0.443 0.370 0.714 0.571 N 1.085 15 residues pruned to eliminate duplicates Z: 27 13.224 1.930 0.468 0.350 0.846 0.500 CA 1.273 24 residues pruned to eliminate duplicates Z: 15 11.759 2.009 0.404 0.590 0.929 0.643 CA 1.100 15 residues pruned to eliminate duplicates Z: 9 4.242 1.645 0.128 0.235 0.875 0.250 CB 1.258 9 residues pruned to eliminate duplicates Z: 11 11.767 2.213 0.393 0.466 1.000 0.700 CB 1.250 12 residues pruned to eliminate duplicates Z: 9 5.812 1.884 0.019 0.529 0.750 0.500 CA 1.387 9 residues pruned to eliminate duplicates Z: 14 8.563 1.863 0.416 0.342 0.846 0.538 CB 1.263 11 residues pruned to eliminate duplicates Z: 14 12.820 1.849 0.355 0.708 0.923 0.846 CA 1.273 14 residues pruned to eliminate duplicates Z: 9 3.487 1.698 0.580 0.305 0.875 0.375 CB 0.652 Z: 21 7.569 1.648 0.336 0.330 0.850 0.600 CB 1.089 14 residues pruned to eliminate duplicates Z: 65 25.292 2.004 0.347 0.418 0.875 0.562 CB 1.459 65 residues pruned to eliminate duplicates Z: 28 29.089 1.975 0.739 0.735 0.852 0.444 CB 1.549 41 residues pruned to eliminate duplicates Z: 18 6.899 1.730 0.497 0.177 0.765 0.353 CA 1.247 18 residues pruned to eliminate duplicates Z: 21 22.550 1.942 0.497 0.894 0.950 0.500 CA 1.309 21 residues pruned to eliminate duplicates Z: 18 20.035 2.014 0.473 0.847 1.000 0.706 CB 1.216 18 residues pruned to eliminate duplicates Z: 7 2.575 1.321 0.542 0.273 0.667 0.500 N 1.001 Z: 11 5.685 1.514 0.538 0.379 0.800 0.600 O 1.098 8 residues pruned to eliminate duplicates Z: 7 3.240 1.617 -0.203 0.556 1.000 0.667 N 0.971 6 1.397 1.000 0.486 0.420 0.800 0.400 C 0.571 ? 6 1.625 1.191 -0.014 0.343 0.800 0.400 N 0.919 ? Z: 41 26.817 2.079 0.503 0.476 0.900 0.550 CB 1.546 41 residues pruned to eliminate duplicates Z: 11 11.684 1.982 0.699 0.497 0.800 0.600 CA 1.376 11 residues pruned to eliminate duplicates Z: 8 14.156 1.984 0.586 0.680 1.000 1.000 CB 1.441 12 residues pruned to eliminate duplicates Z: 8 3.626 1.471 0.485 0.474 0.714 0.571 CA 0.901 Z: 6 4.404 1.714 0.054 0.395 1.000 0.600 CA 1.219 Z: 20 18.840 2.020 0.468 0.760 0.895 0.684 CB 1.294 20 residues pruned to eliminate duplicates Z: 16 21.326 2.266 0.307 0.881 0.933 0.800 CB 1.442 16 residues pruned to eliminate duplicates Z: 7 2.270 1.736 0.096 0.121 0.667 0.333 CB 1.177 7 residues pruned to eliminate duplicates 6 1.659 1.417 0.001 0.367 0.800 0.600 CB 0.755 ? 6 1.562 1.872 -0.361 0.359 1.000 0.800 CB 0.681 ? Z: 6 3.805 1.509 0.376 0.724 0.800 0.600 CB 0.837 Z: 27 20.869 1.961 0.533 0.601 0.962 0.654 CA 1.286 27 residues pruned to eliminate duplicates Z: 12 10.515 1.844 0.547 0.567 0.909 0.727 CB 1.146 7 residues pruned to eliminate duplicates Z: 8 3.470 1.140 0.334 0.555 1.000 0.571 N 0.817 Z: 7 6.928 1.857 0.689 0.402 0.833 0.667 CB 1.200 7 residues pruned to eliminate duplicates 8 1.332 1.549 0.198 0.208 0.429 0.429 CB 0.894 ? Z: 12 20.349 2.048 0.479 0.921 1.000 0.909 CA 1.426 12 residues pruned to eliminate duplicates Z: 26 9.815 1.732 0.399 0.253 0.840 0.440 CB 1.280 26 residues pruned to eliminate duplicates Z: 11 11.301 1.889 0.119 0.594 1.000 0.400 N 1.545 11 residues pruned to eliminate duplicates Z: 8 4.174 1.693 0.071 0.443 0.714 0.714 CB 1.291 8 residues pruned to eliminate duplicates Z: 8 8.920 1.961 0.191 0.539 0.857 0.714 CA 1.621 8 residues pruned to eliminate duplicates Z: 6 2.475 1.655 0.109 0.458 0.600 0.400 N 1.049 Z: 6 5.336 1.476 0.943 0.616 0.800 0.800 CB 0.932 Z: 13 4.525 1.354 0.394 0.326 0.750 0.417 N 1.117 Z: 8 2.562 1.497 0.540 0.225 0.714 0.286 CA 0.811 Z: 53 34.991 2.053 0.624 0.500 0.923 0.635 CB 1.577 61 residues pruned to eliminate duplicates Z: 35 26.571 2.025 0.522 0.628 0.971 0.647 CA 1.350 36 residues pruned to eliminate duplicates Z: 6 3.179 1.321 0.157 0.525 1.000 0.400 N 0.907 Z: 13 7.347 1.894 0.152 0.446 0.833 0.333 CA 1.232 15 residues pruned to eliminate duplicates Z: 9 9.755 1.702 0.443 0.650 1.000 0.500 CA 1.221 7 residues pruned to eliminate duplicates Z: 7 7.845 1.703 0.446 0.705 1.000 0.833 CB 1.079 6 residues pruned to eliminate duplicates 6 1.455 1.138 0.645 0.300 0.600 0.600 O 0.724 ? Z: 33 17.461 1.896 0.522 0.542 0.750 0.375 CB 1.369 33 residues pruned to eliminate duplicates Z: 9 4.752 1.585 0.929 0.250 0.625 0.625 CA 1.173 9 residues pruned to eliminate duplicates Z: 6 2.276 1.464 0.036 0.463 0.800 0.600 C 0.871 Z: 44 32.893 1.941 0.620 0.652 0.930 0.698 CB 1.488 43 residues pruned to eliminate duplicates Z: 22 14.709 1.997 0.561 0.430 0.810 0.524 CB 1.368 22 residues pruned to eliminate duplicates Z: 7 2.980 1.269 0.603 0.329 0.833 0.500 N 0.866 Z: 11 6.576 1.821 0.155 0.534 0.900 0.500 CA 1.062 11 residues pruned to eliminate duplicates Z: 6 4.351 1.865 0.138 0.431 0.800 0.400 CB 1.231 5 residues pruned to eliminate duplicates 6 1.971 1.428 0.293 0.372 0.600 0.600 N 0.913 ? Z: 8 2.995 1.803 -0.213 0.432 0.857 0.571 CB 0.999 8 residues pruned to eliminate duplicates Z: 7 4.497 1.469 0.629 0.245 0.833 0.333 CA 1.235 Z: 7 10.354 1.713 0.501 0.823 1.000 0.667 CA 1.243 7 residues pruned to eliminate duplicates Z: 11 4.372 1.590 0.632 0.395 0.700 0.500 CB 0.850 11 residues pruned to eliminate duplicates Z: 7 2.776 1.458 0.278 0.430 1.000 0.667 CB 0.654 Z: 6 3.619 1.494 0.149 0.477 0.800 0.400 N 1.206 Z: 57 33.820 2.064 0.581 0.589 0.911 0.482 CB 1.397 56 residues pruned to eliminate duplicates Z: 7 3.916 1.489 0.505 0.321 0.667 0.500 CB 1.303 7 residues pruned to eliminate duplicates Z: 6 3.058 1.414 0.418 0.487 0.800 0.600 N 0.864 Z: 9 7.370 1.653 0.444 0.563 1.000 0.375 CA 1.027 9 residues pruned to eliminate duplicates Z: 6 2.410 1.541 0.532 0.298 0.800 0.400 CB 0.715 Z: 6 4.390 1.787 0.353 0.578 1.000 0.400 CB 0.753 7 1.713 1.593 -0.257 0.559 0.833 0.667 CB 0.670 ? Z: 7 5.353 1.525 0.200 0.638 1.000 0.667 CB 1.049 Z: 7 11.668 1.981 0.260 0.833 1.000 0.667 CB 1.431 7 residues pruned to eliminate duplicates Z: 9 2.475 1.450 0.471 0.218 0.625 0.500 CB 0.914 Z: 7 3.192 1.172 0.222 0.458 1.000 0.500 O 0.950 Z: 8 8.208 1.536 0.977 0.396 1.000 1.000 N 1.140 7 residues pruned to eliminate duplicates Z: 13 10.831 1.902 0.363 0.384 1.000 0.583 CA 1.364 13 residues pruned to eliminate duplicates Z: 15 7.471 1.891 0.335 0.366 0.786 0.357 CA 1.163 15 residues pruned to eliminate duplicates Z: 7 4.748 1.685 0.407 0.527 0.833 0.333 CB 0.955 7 residues pruned to eliminate duplicates Z: 6 4.621 1.686 0.001 0.652 0.800 0.600 N 1.329 Z: 32 21.665 2.055 0.488 0.554 0.903 0.548 CA 1.336 32 residues pruned to eliminate duplicates Z: 12 15.575 2.169 0.229 0.833 0.909 0.636 CA 1.454 12 residues pruned to eliminate duplicates Z: 21 11.147 1.786 0.637 0.366 0.800 0.350 CA 1.231 21 residues pruned to eliminate duplicates Z: 21 24.751 2.090 0.536 0.650 1.000 0.600 CA 1.499 21 residues pruned to eliminate duplicates Z: 19 14.184 1.791 0.612 0.497 0.944 0.444 CA 1.230 19 residues pruned to eliminate duplicates Z: 8 6.776 1.669 0.579 0.349 0.857 0.286 CA 1.335 8 residues pruned to eliminate duplicates Z: 7 6.710 1.610 0.763 0.413 0.833 0.333 N 1.268 Z: 7 3.964 1.667 0.629 0.447 0.667 0.333 CB 0.944 Z: 88 40.135 2.161 0.496 0.461 0.862 0.471 CA 1.607 88 residues pruned to eliminate duplicates Z: 8 4.714 1.876 -0.153 0.466 0.857 0.429 CB 1.353 8 residues pruned to eliminate duplicates Z: 7 3.337 1.451 0.131 0.449 0.833 0.667 O 1.050 Z: 13 3.313 1.367 0.471 0.161 0.750 0.250 N 0.959 Z: 6 2.330 1.349 0.376 0.512 0.800 0.600 N 0.693 Z: 7 5.202 1.451 0.519 0.389 0.833 0.500 O 1.300 Z: 11 16.395 1.780 0.777 0.830 1.000 0.800 CA 1.232 13 residues pruned to eliminate duplicates Z: 7 4.565 1.639 0.347 0.264 0.833 0.500 C 1.326 Z: 8 5.370 1.469 0.464 0.394 1.000 0.571 N 1.055 Z: 25 16.005 1.978 0.455 0.435 0.917 0.667 CB 1.325 25 residues pruned to eliminate duplicates Z: 8 4.138 1.415 0.013 0.692 1.000 0.429 CA 0.915 Z: 12 8.253 1.601 0.470 0.694 0.818 0.545 CB 1.083 12 residues pruned to eliminate duplicates Z: 17 7.368 1.877 0.295 0.347 0.812 0.562 CA 1.101 17 residues pruned to eliminate duplicates Z: 10 11.849 1.984 0.459 0.527 1.000 0.667 CB 1.329 13 residues pruned to eliminate duplicates Z: 23 12.814 1.914 0.475 0.464 0.864 0.591 CA 1.162 23 residues pruned to eliminate duplicates Z: 11 12.861 1.849 0.547 0.554 1.000 0.800 CA 1.349 10 residues pruned to eliminate duplicates Z: 17 6.911 1.818 0.031 0.340 0.812 0.562 CB 1.351 17 residues pruned to eliminate duplicates Z: 42 22.776 2.071 0.512 0.414 0.878 0.585 CA 1.415 42 residues pruned to eliminate duplicates Z: 7 2.298 1.549 0.618 0.245 0.833 0.333 CB 0.603 Z: 6 2.109 1.294 0.072 0.446 0.800 0.600 C 0.898 Z: 10 6.204 1.649 0.502 0.471 0.778 0.556 CB 1.106 10 residues pruned to eliminate duplicates Z: 29 19.735 2.032 0.475 0.412 0.857 0.464 CA 1.591 29 residues pruned to eliminate duplicates Z: 10 10.306 1.956 0.162 0.610 0.889 0.556 C 1.533 10 residues pruned to eliminate duplicates Z: 46 41.174 2.140 0.755 0.645 0.933 0.489 CA 1.529 46 residues pruned to eliminate duplicates Z: 6 2.806 1.462 0.005 0.418 1.000 0.400 CB 0.931 Z: 19 6.898 1.848 0.228 0.307 0.667 0.500 CB 1.331 15 residues pruned to eliminate duplicates Z: 35 34.575 2.177 0.686 0.650 0.941 0.706 CA 1.493 35 residues pruned to eliminate duplicates Z: 8 7.570 1.793 0.951 0.366 0.714 0.571 N 1.322 8 residues pruned to eliminate duplicates Z: 14 17.908 2.095 0.517 0.463 1.000 0.692 CB 1.623 14 residues pruned to eliminate duplicates Z: 8 4.029 1.423 0.397 0.502 0.714 0.286 CB 1.070 Z: 13 5.398 1.720 0.493 0.243 0.750 0.417 CA 1.089 13 residues pruned to eliminate duplicates Z: 6 4.062 1.146 0.811 0.778 1.000 0.800 CA 0.685 Using tripeptides from previous cycle as seeds Z: 6 5.447 1.802 0.762 0.323 1.000 0.400 CA 0.933 6 residues pruned to eliminate duplicates Z: 6 14.040 2.091 1.144 0.811 1.000 0.800 CB 1.069 9 residues pruned to eliminate duplicates 6 1.725 1.533 0.599 0.106 0.600 0.000 CA 0.866 ? Z: 7 5.803 1.734 0.369 0.391 0.833 0.500 CA 1.344 7 residues pruned to eliminate duplicates Z: 14 12.860 2.065 0.519 0.365 1.000 0.538 CA 1.315 14 residues pruned to eliminate duplicates Z: 18 16.393 2.119 0.575 0.390 0.941 0.529 CA 1.423 18 residues pruned to eliminate duplicates Z: 43 26.690 2.094 0.525 0.454 0.905 0.571 CA 1.495 43 residues pruned to eliminate duplicates Z: 36 20.083 1.953 0.420 0.402 0.914 0.429 CB 1.483 43 residues pruned to eliminate duplicates Z: 6 7.132 1.972 0.433 0.376 0.800 0.400 CA 1.610 6 residues pruned to eliminate duplicates Z: 25 22.117 2.131 0.536 0.468 0.958 0.708 CA 1.487 25 residues pruned to eliminate duplicates Z: 39 24.733 2.026 0.526 0.488 0.947 0.605 CA 1.388 39 residues pruned to eliminate duplicates Z: 38 26.328 2.119 0.435 0.484 0.919 0.486 CA 1.575 38 residues pruned to eliminate duplicates Z: 39 24.095 2.115 0.452 0.467 0.868 0.553 CA 1.516 39 residues pruned to eliminate duplicates Z: 29 22.725 2.065 0.506 0.462 0.964 0.679 CA 1.488 29 residues pruned to eliminate duplicates Z: 39 24.569 2.111 0.449 0.495 0.868 0.632 CA 1.508 39 residues pruned to eliminate duplicates Z: 43 20.069 2.035 0.354 0.402 0.833 0.595 CA 1.495 43 residues pruned to eliminate duplicates Z: 41 24.777 2.096 0.555 0.457 0.825 0.600 CA 1.523 41 residues pruned to eliminate duplicates Z: 39 23.465 2.076 0.473 0.451 0.895 0.579 CB 1.462 39 residues pruned to eliminate duplicates Z: 43 21.646 2.013 0.415 0.445 0.857 0.571 CA 1.447 43 residues pruned to eliminate duplicates Z: 26 17.661 1.972 0.511 0.482 0.880 0.440 CB 1.372 26 residues pruned to eliminate duplicates Z: 37 24.957 2.101 0.504 0.451 0.917 0.611 CA 1.510 37 residues pruned to eliminate duplicates Z: 22 12.224 2.033 0.544 0.413 0.762 0.571 CB 1.221 22 residues pruned to eliminate duplicates Z: 38 23.103 2.085 0.505 0.441 0.892 0.622 CA 1.442 38 residues pruned to eliminate duplicates Z: 25 14.780 2.028 0.519 0.408 0.833 0.500 CB 1.294 25 residues pruned to eliminate duplicates Z: 38 25.902 2.108 0.572 0.454 0.892 0.595 CA 1.511 38 residues pruned to eliminate duplicates Z: 18 10.094 2.044 0.423 0.414 0.706 0.471 CB 1.304 18 residues pruned to eliminate duplicates Z: 16 10.069 2.046 0.426 0.421 0.800 0.467 CB 1.209 16 residues pruned to eliminate duplicates Z: 14 12.596 2.060 0.565 0.549 0.923 0.538 CB 1.119 14 residues pruned to eliminate duplicates Z: 24 14.612 1.949 0.453 0.456 0.826 0.609 CA 1.362 24 residues pruned to eliminate duplicates Z: 18 11.770 2.030 0.533 0.460 0.824 0.529 CB 1.160 18 residues pruned to eliminate duplicates Z: 14 12.855 2.046 0.479 0.566 0.846 0.538 CB 1.307 14 residues pruned to eliminate duplicates Z: 38 26.084 2.133 0.460 0.492 0.892 0.595 CA 1.557 38 residues pruned to eliminate duplicates Z: 39 27.738 2.093 0.560 0.500 0.921 0.632 CA 1.497 39 residues pruned to eliminate duplicates Z: 45 24.102 1.996 0.462 0.417 0.909 0.432 CA 1.494 45 residues pruned to eliminate duplicates Z: 17 12.126 2.033 0.505 0.438 0.750 0.438 CA 1.409 17 residues pruned to eliminate duplicates Z: 6 3.296 1.762 0.620 0.139 0.600 0.000 CB 1.347 6 residues pruned to eliminate duplicates Z: 6 2.648 1.890 0.499 0.197 0.400 0.000 N 1.498 6 residues pruned to eliminate duplicates Z: 43 25.311 2.054 0.506 0.431 0.881 0.452 CA 1.541 43 residues pruned to eliminate duplicates Z: 8 2.418 1.899 0.123 0.161 0.429 0.000 N 1.514 8 residues pruned to eliminate duplicates Z: 13 11.583 1.797 0.365 0.585 1.000 0.583 CA 1.256 13 residues pruned to eliminate duplicates Z: 7 6.150 1.743 0.590 0.411 1.000 0.667 CB 0.994 7 residues pruned to eliminate duplicates Z: 11 13.291 1.987 0.359 0.572 1.000 0.600 CB 1.451 11 residues pruned to eliminate duplicates Z: 16 9.009 1.753 0.291 0.449 0.933 0.400 CB 1.161 12 residues pruned to eliminate duplicates Z: 7 3.375 1.751 0.164 0.394 0.667 0.667 CB 1.135 7 residues pruned to eliminate duplicates Z: 13 9.510 1.824 0.291 0.551 0.833 0.500 CB 1.332 13 residues pruned to eliminate duplicates Z: 11 9.283 1.934 0.131 0.591 1.000 0.800 CB 1.229 11 residues pruned to eliminate duplicates Z: 11 11.361 1.921 0.325 0.574 1.000 0.800 CA 1.314 11 residues pruned to eliminate duplicates Z: 16 10.508 1.959 0.241 0.304 0.867 0.400 CB 1.603 16 residues pruned to eliminate duplicates Z: 16 9.682 1.882 0.362 0.314 0.800 0.333 CB 1.498 14 residues pruned to eliminate duplicates Z: 14 12.071 2.029 0.299 0.337 0.923 0.538 CB 1.645 14 residues pruned to eliminate duplicates Z: 13 11.644 2.120 0.253 0.333 0.917 0.333 CB 1.657 13 residues pruned to eliminate duplicates Z: 17 9.000 1.890 0.233 0.249 0.812 0.312 CA 1.586 17 residues pruned to eliminate duplicates Z: 16 12.101 1.893 0.422 0.309 0.933 0.467 CB 1.536 18 residues pruned to eliminate duplicates Z: 15 11.433 2.053 0.347 0.285 0.857 0.429 CB 1.642 15 residues pruned to eliminate duplicates Z: 17 8.538 1.845 0.202 0.289 0.875 0.500 CB 1.393 17 residues pruned to eliminate duplicates Z: 14 9.764 2.090 0.132 0.321 0.846 0.538 CB 1.646 14 residues pruned to eliminate duplicates Z: 17 10.410 1.927 0.362 0.249 0.875 0.312 CA 1.513 17 residues pruned to eliminate duplicates Z: 21 8.611 1.819 0.258 0.266 0.800 0.450 CA 1.374 21 residues pruned to eliminate duplicates Z: 17 11.505 1.923 0.274 0.326 0.938 0.375 CA 1.515 17 residues pruned to eliminate duplicates Z: 16 11.104 1.923 0.340 0.294 0.933 0.467 CB 1.503 16 residues pruned to eliminate duplicates Z: 13 12.967 1.975 0.411 0.371 1.000 0.333 CA 1.543 12 residues pruned to eliminate duplicates Z: 14 13.651 1.978 0.345 0.404 1.000 0.231 CA 1.574 13 residues pruned to eliminate duplicates Z: 14 12.563 1.972 0.310 0.379 1.000 0.385 CA 1.534 14 residues pruned to eliminate duplicates Z: 13 11.749 1.983 0.183 0.499 0.917 0.500 CA 1.578 13 residues pruned to eliminate duplicates Z: 13 9.247 1.918 0.251 0.415 0.917 0.333 CA 1.326 13 residues pruned to eliminate duplicates Z: 17 11.913 1.819 0.310 0.444 0.875 0.500 CB 1.513 15 residues pruned to eliminate duplicates Z: 14 9.783 1.851 0.242 0.412 0.846 0.385 CA 1.529 14 residues pruned to eliminate duplicates Z: 13 12.300 1.949 0.281 0.492 1.000 0.500 CA 1.434 13 residues pruned to eliminate duplicates Z: 11 11.055 2.044 0.296 0.434 0.900 0.400 CA 1.569 11 residues pruned to eliminate duplicates Z: 13 12.526 1.989 0.305 0.446 0.917 0.417 CA 1.606 13 residues pruned to eliminate duplicates Z: 13 10.296 1.946 0.395 0.388 0.833 0.500 CA 1.480 13 residues pruned to eliminate duplicates Z: 9 8.945 1.827 0.424 0.490 0.875 0.500 CB 1.403 8 residues pruned to eliminate duplicates Z: 7 8.412 1.641 0.370 0.833 0.833 0.667 CA 1.376 9 residues pruned to eliminate duplicates Z: 6 6.484 1.836 0.052 0.771 1.000 0.800 CB 1.181 6 residues pruned to eliminate duplicates Z: 8 9.054 1.901 0.171 0.580 1.000 0.714 CB 1.423 7 residues pruned to eliminate duplicates Z: 8 7.947 1.857 0.269 0.523 1.000 0.714 CB 1.246 8 residues pruned to eliminate duplicates Z: 12 8.932 1.841 0.164 0.517 0.818 0.455 CB 1.511 9 residues pruned to eliminate duplicates 6 1.416 1.633 -0.007 0.305 0.400 0.200 CA 1.212 ? Z: 7 10.594 1.995 0.566 0.581 0.833 0.500 N 1.537 7 residues pruned to eliminate duplicates Z: 9 5.930 1.870 0.421 0.458 0.625 0.500 CA 1.317 9 residues pruned to eliminate duplicates Z: 8 8.223 1.604 0.651 0.462 1.000 0.429 CA 1.221 8 residues pruned to eliminate duplicates Z: 12 6.963 1.736 0.256 0.454 0.727 0.273 N 1.389 12 residues pruned to eliminate duplicates Z: 11 9.116 1.912 0.354 0.500 0.800 0.600 CA 1.392 11 residues pruned to eliminate duplicates Z: 29 16.119 1.948 0.390 0.469 0.893 0.536 CB 1.300 33 residues pruned to eliminate duplicates Z: 9 9.520 1.711 0.226 0.691 1.000 0.625 N 1.348 9 residues pruned to eliminate duplicates Z: 9 8.397 1.800 0.510 0.493 0.750 0.375 CA 1.467 9 residues pruned to eliminate duplicates Z: 14 9.489 1.753 0.615 0.407 0.846 0.615 CA 1.211 23 residues pruned to eliminate duplicates Z: 9 7.067 1.822 0.394 0.461 0.750 0.500 CA 1.364 Z: 14 7.164 1.538 0.363 0.420 0.846 0.538 CA 1.217 9 residues pruned to eliminate duplicates Z: 6 6.785 1.635 1.045 0.292 0.800 0.800 N 1.433 Z: 6 7.272 1.676 0.560 0.439 1.000 0.400 O 1.325 12 residues pruned to eliminate duplicates Z: 23 18.796 2.034 0.451 0.511 0.955 0.636 CB 1.407 22 residues pruned to eliminate duplicates Z: 6 6.930 1.586 0.426 0.560 1.000 0.600 N 1.293 6 residues pruned to eliminate duplicates Z: 27 14.898 2.009 0.391 0.421 0.846 0.462 CB 1.343 23 residues pruned to eliminate duplicates Z: 7 5.149 1.738 0.566 0.555 0.667 0.333 CA 1.098 7 residues pruned to eliminate duplicates Z: 10 8.770 1.800 0.889 0.435 0.778 0.333 CB 1.182 10 residues pruned to eliminate duplicates Z: 7 4.060 1.514 0.506 0.461 0.833 0.667 CB 0.908 7 residues pruned to eliminate duplicates Z: 12 6.663 1.603 0.704 0.349 0.818 0.182 CB 1.059 12 residues pruned to eliminate duplicates Z: 8 5.410 1.802 0.565 0.363 0.714 0.143 CB 1.177 8 residues pruned to eliminate duplicates Z: 11 5.861 1.662 0.565 0.273 0.800 0.200 CA 1.152 11 residues pruned to eliminate duplicates Z: 13 5.022 1.548 0.745 0.231 0.667 0.167 CB 1.102 13 residues pruned to eliminate duplicates Z: 11 8.096 1.643 0.793 0.312 1.000 0.200 CB 1.070 11 residues pruned to eliminate duplicates Z: 8 3.057 1.274 0.610 0.289 0.857 0.286 CA 0.833 Z: 9 4.014 1.551 0.273 0.446 0.750 0.500 N 1.013 8 residues pruned to eliminate duplicates Z: 9 5.079 1.641 0.260 0.578 0.875 0.500 CA 0.921 13 residues pruned to eliminate duplicates Z: 16 8.928 1.818 0.339 0.483 0.933 0.533 CB 1.032 18 residues pruned to eliminate duplicates Z: 6 6.856 1.800 0.466 0.683 1.000 0.600 CA 0.982 6 residues pruned to eliminate duplicates Z: 18 8.160 1.709 0.329 0.410 0.882 0.529 CA 1.086 17 residues pruned to eliminate duplicates Z: 7 9.449 1.857 0.491 0.740 1.000 0.667 CB 1.123 7 residues pruned to eliminate duplicates Z: 16 8.567 1.800 0.308 0.500 0.867 0.400 CB 1.084 16 residues pruned to eliminate duplicates Z: 7 4.889 1.893 0.454 0.422 0.833 0.333 CA 0.944 7 residues pruned to eliminate duplicates Z: 15 8.902 1.849 0.279 0.459 0.929 0.357 CB 1.130 15 residues pruned to eliminate duplicates Z: 9 5.894 1.880 0.095 0.436 0.875 0.500 CB 1.236 9 residues pruned to eliminate duplicates Z: 11 8.385 1.828 0.401 0.472 1.000 0.500 CB 1.066 11 residues pruned to eliminate duplicates Z: 6 2.983 1.707 0.734 0.138 0.800 0.400 CB 0.882 6 residues pruned to eliminate duplicates Z: 65 47.231 2.144 0.665 0.581 0.969 0.453 CA 1.579 66 residues pruned to eliminate duplicates Z: 6 4.833 1.457 0.649 0.323 1.000 0.800 C 1.093 6 residues pruned to eliminate duplicates Z: 15 9.671 1.988 0.455 0.275 0.786 0.286 CA 1.468 15 residues pruned to eliminate duplicates Z: 31 16.480 1.998 0.379 0.354 0.833 0.433 CB 1.535 34 residues pruned to eliminate duplicates Z: 6 3.551 1.784 0.214 0.304 0.800 0.200 CA 1.140 6 residues pruned to eliminate duplicates Z: 21 8.799 1.840 0.653 0.176 0.750 0.100 CA 1.275 21 residues pruned to eliminate duplicates Z: 6 6.905 2.160 0.475 0.283 0.800 0.400 CA 1.548 6 residues pruned to eliminate duplicates Z: 19 7.942 1.917 0.550 0.179 0.722 0.278 CA 1.284 19 residues pruned to eliminate duplicates Z: 26 17.568 2.058 0.448 0.336 0.880 0.480 CA 1.604 27 residues pruned to eliminate duplicates Z: 6 4.038 1.778 0.192 0.732 0.800 0.600 N 0.865 6 residues pruned to eliminate duplicates Z: 25 16.946 2.051 0.415 0.357 0.833 0.500 CA 1.669 25 residues pruned to eliminate duplicates Z: 24 16.897 2.098 0.389 0.367 0.870 0.478 CA 1.604 24 residues pruned to eliminate duplicates Z: 6 5.067 1.944 0.694 0.281 0.800 0.200 CA 1.101 6 residues pruned to eliminate duplicates Z: 29 16.681 1.992 0.447 0.338 0.821 0.464 CA 1.588 29 residues pruned to eliminate duplicates Z: 14 15.519 2.111 0.462 0.468 0.923 0.538 CB 1.560 14 residues pruned to eliminate duplicates Z: 23 15.562 1.960 0.308 0.416 0.909 0.545 CB 1.554 23 residues pruned to eliminate duplicates Z: 17 10.524 1.971 0.181 0.412 0.938 0.625 CB 1.322 17 residues pruned to eliminate duplicates Z: 21 15.070 1.981 0.288 0.430 0.900 0.650 CB 1.577 21 residues pruned to eliminate duplicates Z: 30 15.209 1.908 0.487 0.302 0.862 0.379 CA 1.439 30 residues pruned to eliminate duplicates Z: 30 16.040 1.997 0.351 0.301 0.862 0.483 CB 1.599 30 residues pruned to eliminate duplicates Z: 14 13.949 2.029 0.274 0.549 0.923 0.769 N 1.546 13 residues pruned to eliminate duplicates Z: 10 6.693 1.535 0.450 0.471 0.889 0.667 N 1.161 10 residues pruned to eliminate duplicates Z: 17 12.470 2.041 0.395 0.477 0.875 0.562 CB 1.282 17 residues pruned to eliminate duplicates Z: 14 14.040 2.195 0.152 0.540 1.000 0.538 CB 1.480 14 residues pruned to eliminate duplicates Z: 6 3.624 1.867 0.255 0.202 1.000 0.000 CA 0.986 6 residues pruned to eliminate duplicates Z: 77 38.977 2.100 0.415 0.558 0.934 0.658 CA 1.522 77 residues pruned to eliminate duplicates Z: 29 18.975 2.093 0.374 0.582 0.857 0.500 CA 1.344 29 residues pruned to eliminate duplicates Z: 21 19.212 2.160 0.442 0.477 0.950 0.550 CB 1.487 21 residues pruned to eliminate duplicates Z: 6 3.234 1.674 0.225 0.428 1.000 0.600 CA 0.760 6 residues pruned to eliminate duplicates Z: 25 19.161 2.111 0.298 0.495 1.000 0.583 CA 1.436 25 residues pruned to eliminate duplicates Z: 18 7.199 1.793 0.271 0.322 0.882 0.471 CA 1.056 18 residues pruned to eliminate duplicates Z: 23 14.918 2.130 0.290 0.408 0.864 0.500 CA 1.477 23 residues pruned to eliminate duplicates Z: 52 30.467 2.048 0.377 0.596 0.961 0.608 CA 1.437 52 residues pruned to eliminate duplicates Z: 28 18.713 2.041 0.360 0.494 0.963 0.519 CB 1.355 28 residues pruned to eliminate duplicates Z: 57 28.856 2.061 0.414 0.546 0.911 0.518 CA 1.390 57 residues pruned to eliminate duplicates Z: 9 10.945 2.075 0.437 0.560 1.000 0.375 CA 1.224 9 residues pruned to eliminate duplicates Z: 54 34.231 2.073 0.450 0.631 0.962 0.528 CB 1.438 54 residues pruned to eliminate duplicates Z: 22 23.150 1.989 0.764 0.681 0.952 0.476 CA 1.280 22 residues pruned to eliminate duplicates Z: 39 29.516 2.090 0.404 0.675 0.947 0.553 CB 1.467 39 residues pruned to eliminate duplicates Z: 26 23.813 1.940 0.553 0.727 0.960 0.520 CB 1.342 26 residues pruned to eliminate duplicates Z: 42 37.947 2.121 0.725 0.703 0.927 0.585 CA 1.453 42 residues pruned to eliminate duplicates Z: 65 39.239 2.080 0.592 0.580 0.906 0.547 CA 1.513 65 residues pruned to eliminate duplicates Z: 63 37.445 2.043 0.580 0.563 0.919 0.581 CA 1.507 63 residues pruned to eliminate duplicates Z: 26 22.328 1.995 0.617 0.733 0.840 0.440 CA 1.337 26 residues pruned to eliminate duplicates Z: 20 27.253 2.048 0.664 0.776 1.000 0.474 CB 1.438 20 residues pruned to eliminate duplicates Z: 83 42.563 2.096 0.519 0.554 0.915 0.561 CA 1.531 83 residues pruned to eliminate duplicates Z: 9 8.915 1.895 0.373 0.490 0.875 0.375 CA 1.398 9 residues pruned to eliminate duplicates Z: 37 29.598 2.077 0.611 0.603 0.944 0.611 CA 1.415 37 residues pruned to eliminate duplicates Z: 41 28.229 2.054 0.476 0.586 0.975 0.550 CA 1.391 41 residues pruned to eliminate duplicates Z: 69 41.944 2.079 0.583 0.560 0.956 0.529 CA 1.525 69 residues pruned to eliminate duplicates Z: 38 35.747 2.081 0.661 0.718 0.946 0.649 CA 1.475 38 residues pruned to eliminate duplicates Z: 19 13.068 1.880 0.639 0.544 0.833 0.500 CB 1.149 19 residues pruned to eliminate duplicates Z: 60 39.110 2.081 0.588 0.603 0.966 0.593 CA 1.445 60 residues pruned to eliminate duplicates Z: 67 42.709 2.106 0.631 0.583 0.955 0.606 CA 1.481 67 residues pruned to eliminate duplicates Z: 73 43.322 2.116 0.581 0.554 0.944 0.597 CA 1.533 73 residues pruned to eliminate duplicates Z: 50 36.098 2.048 0.704 0.642 0.918 0.612 CA 1.409 50 residues pruned to eliminate duplicates Z: 83 45.660 2.110 0.568 0.554 0.951 0.622 CA 1.520 83 residues pruned to eliminate duplicates Z: 19 27.370 2.126 0.721 0.696 1.000 0.611 CA 1.475 19 residues pruned to eliminate duplicates Z: 26 25.521 2.046 0.579 0.540 0.920 0.480 CA 1.651 26 residues pruned to eliminate duplicates Z: 29 27.898 2.009 0.691 0.736 0.964 0.679 CA 1.302 29 residues pruned to eliminate duplicates Z: 66 41.279 2.122 0.555 0.583 0.923 0.631 CA 1.551 66 residues pruned to eliminate duplicates Z: 26 23.842 2.091 0.738 0.477 0.880 0.400 CB 1.526 26 residues pruned to eliminate duplicates Z: 45 32.760 2.127 0.551 0.497 0.909 0.545 CB 1.652 45 residues pruned to eliminate duplicates Z: 48 34.548 2.042 0.546 0.676 0.936 0.681 CA 1.450 48 residues pruned to eliminate duplicates Z: 22 25.475 2.062 0.678 0.630 0.952 0.714 CA 1.493 22 residues pruned to eliminate duplicates Z: 14 24.177 2.179 0.507 0.764 1.000 0.615 CA 1.616 14 residues pruned to eliminate duplicates Z: 25 24.600 2.063 0.668 0.601 0.875 0.417 CB 1.515 25 residues pruned to eliminate duplicates Z: 20 26.830 2.052 0.702 0.638 1.000 0.526 CA 1.549 20 residues pruned to eliminate duplicates Z: 35 23.294 2.053 0.571 0.375 0.853 0.529 CB 1.661 35 residues pruned to eliminate duplicates Z: 12 7.489 1.807 0.497 0.395 0.818 0.455 CA 1.140 12 residues pruned to eliminate duplicates Z: 23 20.091 2.137 0.488 0.555 0.864 0.591 CA 1.478 23 residues pruned to eliminate duplicates Z: 31 18.948 2.082 0.445 0.401 0.800 0.533 CA 1.595 31 residues pruned to eliminate duplicates Z: 67 41.422 2.116 0.515 0.569 0.985 0.606 CA 1.511 67 residues pruned to eliminate duplicates Z: 65 44.599 2.128 0.584 0.600 0.953 0.516 CA 1.577 65 residues pruned to eliminate duplicates Z: 43 35.587 2.141 0.718 0.514 0.905 0.476 CB 1.628 43 residues pruned to eliminate duplicates Z: 25 19.790 2.097 0.534 0.426 0.833 0.542 CA 1.628 25 residues pruned to eliminate duplicates Z: 31 22.506 2.092 0.608 0.374 0.867 0.500 CA 1.612 31 residues pruned to eliminate duplicates Z: 67 43.428 2.106 0.633 0.583 0.955 0.561 CA 1.503 67 residues pruned to eliminate duplicates Z: 46 33.197 2.104 0.645 0.533 0.889 0.533 CB 1.558 46 residues pruned to eliminate duplicates Z: 68 42.539 2.086 0.582 0.598 0.925 0.507 CA 1.549 68 residues pruned to eliminate duplicates Z: 24 21.829 2.136 0.549 0.474 0.870 0.609 CA 1.623 24 residues pruned to eliminate duplicates Z: 33 23.110 2.073 0.626 0.392 0.844 0.531 CA 1.610 33 residues pruned to eliminate duplicates Z: 16 15.426 2.142 0.428 0.421 0.800 0.533 CA 1.767 16 residues pruned to eliminate duplicates Z: 32 23.860 2.115 0.540 0.402 0.903 0.548 CA 1.615 32 residues pruned to eliminate duplicates Z: 33 22.916 2.090 0.633 0.400 0.844 0.531 CA 1.563 33 residues pruned to eliminate duplicates Z: 60 40.962 2.101 0.603 0.616 0.949 0.678 CA 1.495 60 residues pruned to eliminate duplicates Z: 33 24.161 2.074 0.595 0.418 0.906 0.562 CA 1.551 33 residues pruned to eliminate duplicates Z: 15 14.942 2.080 0.472 0.559 0.857 0.643 CA 1.437 15 residues pruned to eliminate duplicates Z: 13 17.550 2.122 0.448 0.660 0.917 0.750 CA 1.550 13 residues pruned to eliminate duplicates Z: 23 18.730 2.072 0.529 0.416 0.864 0.545 CA 1.593 23 residues pruned to eliminate duplicates Z: 24 20.669 2.087 0.584 0.507 0.826 0.826 CB 1.568 22 residues pruned to eliminate duplicates Z: 10 18.748 1.956 0.889 0.808 1.000 0.778 CA 1.293 12 residues pruned to eliminate duplicates Z: 11 12.691 1.802 0.842 0.836 0.900 0.700 CA 1.005 11 residues pruned to eliminate duplicates Z: 9 4.540 1.819 0.554 0.244 0.625 0.250 CB 1.220 9 residues pruned to eliminate duplicates Z: 6 2.152 1.859 0.301 0.100 0.600 0.200 CB 1.106 Z: 7 2.993 1.739 0.704 0.083 0.500 0.500 CB 1.414 9 residues pruned to eliminate duplicates Z: 7 5.010 1.655 0.717 0.368 0.833 0.667 CA 0.996 7 residues pruned to eliminate duplicates Z: 12 10.426 2.043 0.492 0.317 0.818 0.636 CB 1.543 12 residues pruned to eliminate duplicates Z: 13 9.354 2.046 0.462 0.281 0.750 0.417 CB 1.540 12 residues pruned to eliminate duplicates Z: 6 6.494 1.602 0.588 0.778 1.000 1.000 CB 0.893 6 residues pruned to eliminate duplicates Z: 10 13.238 2.295 0.475 0.325 1.000 0.556 CB 1.580 10 residues pruned to eliminate duplicates Z: 12 11.041 2.132 0.454 0.250 0.818 0.545 CB 1.751 13 residues pruned to eliminate duplicates Z: 6 6.013 1.755 0.320 0.278 1.000 0.600 N 1.490 5 residues pruned to eliminate duplicates Z: 6 2.463 1.429 0.462 0.100 0.800 0.600 CB 1.099 6 residues pruned to eliminate duplicates Z: 15 7.634 1.917 0.492 0.275 0.857 0.429 CB 1.074 15 residues pruned to eliminate duplicates Z: 14 8.437 1.947 0.422 0.249 0.923 0.538 CB 1.223 14 residues pruned to eliminate duplicates Z: 14 8.076 1.928 0.301 0.293 1.000 0.462 CB 1.127 14 residues pruned to eliminate duplicates Z: 14 6.163 1.954 0.281 0.241 0.846 0.462 CB 1.089 14 residues pruned to eliminate duplicates Z: 14 8.313 1.935 0.476 0.261 0.846 0.615 CB 1.254 14 residues pruned to eliminate duplicates Z: 15 5.555 1.927 0.158 0.236 0.786 0.571 CB 1.151 15 residues pruned to eliminate duplicates Z: 14 5.997 1.953 0.158 0.214 0.923 0.538 CB 1.116 14 residues pruned to eliminate duplicates Z: 14 7.709 1.946 0.354 0.257 0.923 0.538 CB 1.161 14 residues pruned to eliminate duplicates Z: 22 7.935 1.906 0.285 0.249 0.857 0.429 CB 1.101 24 residues pruned to eliminate duplicates 6 1.917 1.608 -0.132 0.384 0.800 0.400 N 0.869 ? Z: 6 2.164 1.680 0.355 0.178 0.800 0.400 CA 0.784 4 residues pruned to eliminate duplicates Z: 7 2.971 1.490 0.620 0.329 0.667 0.500 CA 0.910 7 residues pruned to eliminate duplicates Z: 52 40.322 2.195 0.541 0.610 0.941 0.686 CA 1.597 52 residues pruned to eliminate duplicates Z: 50 45.577 2.232 0.650 0.655 0.959 0.653 CA 1.595 50 residues pruned to eliminate duplicates Z: 52 42.401 2.189 0.645 0.626 0.941 0.549 CA 1.556 52 residues pruned to eliminate duplicates Z: 22 39.672 2.247 0.763 0.858 1.000 0.667 CA 1.609 22 residues pruned to eliminate duplicates Z: 50 43.740 2.226 0.643 0.626 0.939 0.531 CA 1.617 50 residues pruned to eliminate duplicates Z: 39 37.320 2.144 0.821 0.616 0.921 0.579 CA 1.508 39 residues pruned to eliminate duplicates Z: 50 40.631 2.222 0.558 0.633 0.918 0.551 CA 1.612 50 residues pruned to eliminate duplicates Z: 39 33.500 2.244 0.564 0.630 0.921 0.579 CA 1.488 39 residues pruned to eliminate duplicates Z: 61 41.774 2.220 0.625 0.528 0.917 0.517 CA 1.586 61 residues pruned to eliminate duplicates Z: 54 40.275 2.178 0.504 0.619 0.925 0.585 CA 1.632 54 residues pruned to eliminate duplicates Z: 40 32.973 2.223 0.624 0.600 0.872 0.513 CA 1.526 40 residues pruned to eliminate duplicates Z: 34 35.751 2.178 0.767 0.580 0.970 0.545 CA 1.545 34 residues pruned to eliminate duplicates Z: 45 40.846 2.188 0.715 0.653 0.932 0.591 CA 1.527 45 residues pruned to eliminate duplicates Z: 73 43.394 2.222 0.521 0.522 0.917 0.528 CA 1.615 73 residues pruned to eliminate duplicates Z: 55 37.960 2.176 0.588 0.555 0.926 0.481 CA 1.530 55 residues pruned to eliminate duplicates Z: 40 39.993 2.217 0.780 0.620 0.949 0.487 CA 1.527 40 residues pruned to eliminate duplicates Z: 41 43.846 2.191 0.784 0.632 1.000 0.525 CA 1.567 41 residues pruned to eliminate duplicates Z: 61 45.777 2.232 0.647 0.582 0.933 0.600 CA 1.591 61 residues pruned to eliminate duplicates Z: 46 39.760 2.203 0.639 0.623 0.911 0.444 CA 1.604 47 residues pruned to eliminate duplicates Z: 22 41.301 2.257 0.856 0.918 0.952 0.571 CA 1.593 22 residues pruned to eliminate duplicates Z: 46 38.038 2.200 0.551 0.597 0.956 0.422 CA 1.586 46 residues pruned to eliminate duplicates Z: 50 43.517 2.198 0.753 0.619 0.959 0.490 CA 1.504 50 residues pruned to eliminate duplicates Z: 53 39.158 2.188 0.568 0.606 0.942 0.615 CA 1.519 53 residues pruned to eliminate duplicates Z: 45 41.049 2.238 0.659 0.639 0.932 0.523 CA 1.570 45 residues pruned to eliminate duplicates Z: 45 36.774 2.204 0.632 0.618 0.909 0.500 CA 1.516 45 residues pruned to eliminate duplicates Z: 38 38.855 2.193 0.771 0.589 0.946 0.541 CA 1.596 38 residues pruned to eliminate duplicates Z: 75 45.639 2.195 0.560 0.535 0.919 0.419 CA 1.629 75 residues pruned to eliminate duplicates Z: 46 35.822 2.196 0.681 0.621 0.867 0.533 CA 1.489 46 residues pruned to eliminate duplicates Z: 45 39.183 2.226 0.640 0.625 0.909 0.477 CA 1.582 45 residues pruned to eliminate duplicates Z: 64 42.521 2.155 0.668 0.558 0.905 0.571 CA 1.557 64 residues pruned to eliminate duplicates Z: 53 35.181 2.163 0.567 0.583 0.885 0.635 CA 1.504 53 residues pruned to eliminate duplicates Z: 51 39.995 2.214 0.649 0.610 0.900 0.480 CA 1.550 51 residues pruned to eliminate duplicates Z: 54 39.420 2.166 0.622 0.580 0.906 0.509 CA 1.576 54 residues pruned to eliminate duplicates Z: 53 33.903 2.183 0.495 0.570 0.865 0.423 CA 1.555 53 residues pruned to eliminate duplicates Z: 47 39.257 2.165 0.752 0.593 0.913 0.587 CA 1.530 47 residues pruned to eliminate duplicates Z: 54 43.662 2.194 0.699 0.592 0.943 0.491 CA 1.562 54 residues pruned to eliminate duplicates Z: 65 46.776 2.162 0.665 0.567 0.938 0.547 CA 1.624 65 residues pruned to eliminate duplicates Z: 53 43.501 2.177 0.740 0.615 0.923 0.442 CA 1.547 53 residues pruned to eliminate duplicates Z: 51 43.120 2.221 0.600 0.634 0.940 0.500 CA 1.610 51 residues pruned to eliminate duplicates Z: 61 43.947 2.234 0.695 0.541 0.917 0.467 CA 1.571 61 residues pruned to eliminate duplicates Z: 64 44.486 2.155 0.635 0.568 0.937 0.587 CA 1.590 64 residues pruned to eliminate duplicates Z: 60 41.393 2.163 0.716 0.516 0.881 0.373 CA 1.621 60 residues pruned to eliminate duplicates Z: 61 48.421 2.210 0.710 0.575 0.950 0.517 CA 1.620 61 residues pruned to eliminate duplicates Z: 35 23.397 2.105 0.515 0.402 0.882 0.441 CB 1.580 35 residues pruned to eliminate duplicates Z: 75 35.221 2.085 0.412 0.502 0.865 0.568 CA 1.604 75 residues pruned to eliminate duplicates Z: 105 51.466 2.165 0.521 0.553 0.885 0.567 CA 1.646 105 residues pruned to eliminate duplicates Z: 61 46.335 2.225 0.718 0.545 0.933 0.517 CA 1.605 61 residues pruned to eliminate duplicates Z: 70 50.069 2.247 0.645 0.536 0.928 0.493 CA 1.698 70 residues pruned to eliminate duplicates Z: 102 53.783 2.152 0.513 0.584 0.941 0.574 CB 1.611 102 residues pruned to eliminate duplicates Z: 19 16.987 2.120 0.610 0.334 0.889 0.389 CA 1.583 19 residues pruned to eliminate duplicates Z: 12 9.911 2.088 0.478 0.273 0.909 0.545 CA 1.378 12 residues pruned to eliminate duplicates Z: 58 37.898 2.169 0.677 0.519 0.877 0.439 CA 1.544 58 residues pruned to eliminate duplicates Z: 100 49.523 2.181 0.535 0.537 0.869 0.525 CA 1.651 100 residues pruned to eliminate duplicates Z: 45 18.980 2.031 0.402 0.314 0.841 0.477 CB 1.467 45 residues pruned to eliminate duplicates Z: 24 20.743 2.161 0.567 0.361 0.870 0.478 CA 1.706 24 residues pruned to eliminate duplicates Z: 79 43.791 2.198 0.578 0.514 0.872 0.538 CA 1.617 79 residues pruned to eliminate duplicates Z: 21 16.876 2.204 0.524 0.350 0.900 0.500 CA 1.469 21 residues pruned to eliminate duplicates Z: 71 44.718 2.227 0.648 0.502 0.900 0.443 CA 1.615 71 residues pruned to eliminate duplicates Z: 89 47.024 2.181 0.599 0.499 0.886 0.489 CA 1.623 89 residues pruned to eliminate duplicates Z: 74 47.975 2.214 0.690 0.528 0.918 0.479 CA 1.590 74 residues pruned to eliminate duplicates Z: 7 4.270 1.740 0.605 0.212 0.667 0.333 C 1.315 7 residues pruned to eliminate duplicates Z: 71 45.610 2.200 0.698 0.484 0.886 0.457 CA 1.674 71 residues pruned to eliminate duplicates Z: 73 46.203 2.200 0.699 0.516 0.917 0.458 CA 1.564 73 residues pruned to eliminate duplicates Z: 73 43.459 2.216 0.616 0.505 0.889 0.542 CA 1.600 73 residues pruned to eliminate duplicates Z: 108 48.326 2.164 0.456 0.537 0.897 0.477 CA 1.594 108 residues pruned to eliminate duplicates Z: 78 45.735 2.227 0.535 0.507 0.935 0.519 CA 1.619 78 residues pruned to eliminate duplicates Z: 109 48.665 2.163 0.500 0.532 0.880 0.574 CA 1.591 109 residues pruned to eliminate duplicates Z: 16 7.291 1.903 0.260 0.278 0.733 0.533 CA 1.377 16 residues pruned to eliminate duplicates Z: 16 7.677 1.993 0.105 0.344 0.667 0.400 C 1.598 16 residues pruned to eliminate duplicates Z: 34 28.126 2.023 0.348 0.656 0.970 0.636 CA 1.601 34 residues pruned to eliminate duplicates Z: 100 50.450 2.200 0.557 0.542 0.879 0.586 CA 1.616 100 residues pruned to eliminate duplicates Z: 98 51.059 2.219 0.504 0.529 0.928 0.536 CA 1.627 98 residues pruned to eliminate duplicates Z: 91 47.564 2.181 0.553 0.497 0.911 0.533 CA 1.629 91 residues pruned to eliminate duplicates Z: 35 26.017 2.072 0.280 0.641 0.912 0.529 CB 1.617 35 residues pruned to eliminate duplicates Z: 100 48.247 2.160 0.497 0.571 0.869 0.545 CA 1.612 100 residues pruned to eliminate duplicates Z: 99 53.642 2.193 0.559 0.553 0.918 0.500 CA 1.638 99 residues pruned to eliminate duplicates Z: 26 21.974 2.109 0.333 0.683 0.840 0.560 CB 1.573 26 residues pruned to eliminate duplicates Z: 30 24.511 2.094 0.375 0.673 0.862 0.621 CB 1.563 30 residues pruned to eliminate duplicates Z: 35 26.499 2.086 0.367 0.609 0.882 0.559 CB 1.629 35 residues pruned to eliminate duplicates Z: 50 30.475 2.191 0.387 0.474 0.857 0.551 CA 1.715 50 residues pruned to eliminate duplicates Z: 24 20.462 2.101 0.459 0.608 0.826 0.435 CB 1.521 24 residues pruned to eliminate duplicates Z: 21 26.998 2.212 0.437 0.648 0.950 0.600 CB 1.741 21 residues pruned to eliminate duplicates Z: 30 25.820 2.103 0.304 0.719 0.897 0.621 CB 1.599 30 residues pruned to eliminate duplicates Z: 25 29.319 2.197 0.603 0.728 0.833 0.667 CB 1.660 25 residues pruned to eliminate duplicates Z: 57 22.562 2.008 0.281 0.481 0.839 0.500 CB 1.423 49 residues pruned to eliminate duplicates Z: 18 24.373 2.129 0.446 0.851 1.000 0.647 CB 1.421 18 residues pruned to eliminate duplicates Z: 51 23.235 2.005 0.583 0.430 0.760 0.480 CA 1.465 51 residues pruned to eliminate duplicates Z: 29 29.104 2.086 0.464 0.677 0.964 0.643 CB 1.587 29 residues pruned to eliminate duplicates Z: 25 30.133 2.215 0.454 0.732 0.917 0.625 CB 1.691 25 residues pruned to eliminate duplicates Z: 26 23.523 2.117 0.511 0.683 0.840 0.600 CB 1.480 26 residues pruned to eliminate duplicates Z: 28 32.210 2.110 0.665 0.693 0.963 0.519 CB 1.537 28 residues pruned to eliminate duplicates Z: 28 28.132 2.079 0.553 0.684 0.926 0.556 CB 1.530 28 residues pruned to eliminate duplicates Z: 33 31.115 2.083 0.545 0.656 0.906 0.500 CB 1.632 33 residues pruned to eliminate duplicates Z: 112 49.633 2.155 0.517 0.514 0.874 0.450 CA 1.626 112 residues pruned to eliminate duplicates Z: 82 36.743 2.111 0.456 0.465 0.840 0.346 CB 1.640 82 residues pruned to eliminate duplicates Z: 104 51.610 2.178 0.583 0.567 0.874 0.505 CA 1.583 104 residues pruned to eliminate duplicates Z: 31 25.143 2.070 0.474 0.608 0.900 0.500 CB 1.509 31 residues pruned to eliminate duplicates Z: 13 5.146 1.734 -0.021 0.326 0.917 0.250 CA 1.155 13 residues pruned to eliminate duplicates Z: 21 8.927 1.744 0.340 0.456 0.800 0.250 CB 1.116 21 residues pruned to eliminate duplicates Z: 36 30.585 2.021 0.629 0.622 0.914 0.486 CB 1.531 36 residues pruned to eliminate duplicates Z: 10 5.554 1.790 0.153 0.306 0.889 0.333 CA 1.252 10 residues pruned to eliminate duplicates Z: 10 3.505 1.619 0.284 0.229 0.667 0.444 N 1.157 10 residues pruned to eliminate duplicates Z: 26 11.880 1.954 0.310 0.450 0.800 0.440 CB 1.221 26 residues pruned to eliminate duplicates Z: 30 14.040 2.009 0.326 0.350 0.793 0.414 CB 1.452 34 residues pruned to eliminate duplicates Z: 6 2.960 1.686 0.274 0.312 0.800 0.400 CB 0.949 6 residues pruned to eliminate duplicates Z: 22 10.497 1.959 0.383 0.403 0.857 0.476 CB 1.092 22 residues pruned to eliminate duplicates Z: 17 14.045 2.052 0.484 0.544 0.938 0.688 CB 1.179 17 residues pruned to eliminate duplicates Z: 29 11.674 2.031 0.260 0.326 0.786 0.393 CB 1.328 29 residues pruned to eliminate duplicates Z: 33 11.203 1.871 0.246 0.327 0.844 0.469 CB 1.218 32 residues pruned to eliminate duplicates Z: 6 6.996 1.725 0.409 0.476 1.000 0.600 CB 1.319 6 residues pruned to eliminate duplicates Z: 24 11.621 2.021 0.365 0.396 0.783 0.348 CB 1.253 24 residues pruned to eliminate duplicates Z: 34 12.881 1.911 0.307 0.321 0.848 0.424 CB 1.288 34 residues pruned to eliminate duplicates Z: 24 12.393 2.040 0.227 0.409 0.913 0.435 CB 1.243 24 residues pruned to eliminate duplicates Z: 73 29.819 2.024 0.474 0.406 0.903 0.528 CB 1.440 76 residues pruned to eliminate duplicates Z: 6 2.511 1.517 0.443 0.413 0.600 0.600 N 0.936 6 residues pruned to eliminate duplicates Z: 23 11.667 1.953 0.329 0.411 0.864 0.455 CB 1.218 23 residues pruned to eliminate duplicates Z: 34 12.395 1.944 0.269 0.353 0.788 0.455 CB 1.301 34 residues pruned to eliminate duplicates Z: 27 9.652 1.825 0.212 0.403 0.846 0.538 CB 1.119 27 residues pruned to eliminate duplicates Z: 32 18.364 2.003 0.360 0.486 0.903 0.613 CB 1.360 32 residues pruned to eliminate duplicates Z: 23 12.209 2.004 0.190 0.478 0.864 0.455 CB 1.292 23 residues pruned to eliminate duplicates Z: 22 11.630 2.020 0.149 0.460 0.905 0.524 CB 1.258 22 residues pruned to eliminate duplicates Z: 34 12.728 1.885 0.334 0.395 0.818 0.424 CB 1.204 34 residues pruned to eliminate duplicates Z: 24 9.643 1.851 0.318 0.320 0.783 0.435 CA 1.284 24 residues pruned to eliminate duplicates Z: 17 11.128 1.952 0.282 0.424 0.812 0.375 CA 1.481 17 residues pruned to eliminate duplicates Z: 15 9.444 2.001 0.364 0.385 0.786 0.357 CA 1.330 15 residues pruned to eliminate duplicates Z: 19 8.795 1.967 0.240 0.341 0.778 0.444 CB 1.299 19 residues pruned to eliminate duplicates Z: 62 31.921 2.017 0.501 0.515 0.885 0.590 CA 1.502 68 residues pruned to eliminate duplicates Z: 7 3.061 1.401 0.640 0.251 0.667 0.667 C 1.087 7 residues pruned to eliminate duplicates Z: 6 6.501 1.943 0.090 0.704 1.000 0.600 CA 1.140 6 residues pruned to eliminate duplicates Z: 9 5.192 1.845 0.214 0.499 0.750 0.375 N 1.094 9 residues pruned to eliminate duplicates Z: 19 12.038 1.972 0.493 0.321 0.833 0.556 CA 1.409 19 residues pruned to eliminate duplicates Z: 49 30.794 2.052 0.516 0.502 0.896 0.688 CA 1.592 49 residues pruned to eliminate duplicates Z: 14 6.198 1.828 0.218 0.238 0.769 0.462 CA 1.360 14 residues pruned to eliminate duplicates Z: 12 10.595 1.973 0.361 0.276 0.909 0.636 CA 1.686 12 residues pruned to eliminate duplicates Z: 22 15.571 2.026 0.576 0.351 0.810 0.429 CA 1.545 22 residues pruned to eliminate duplicates Z: 19 14.259 2.021 0.519 0.296 0.889 0.556 CA 1.547 19 residues pruned to eliminate duplicates Z: 34 18.340 2.052 0.479 0.361 0.818 0.576 CA 1.493 34 residues pruned to eliminate duplicates Z: 21 11.807 1.985 0.512 0.308 0.850 0.500 CA 1.280 21 residues pruned to eliminate duplicates Z: 47 34.833 2.093 0.605 0.543 0.957 0.609 CA 1.532 47 residues pruned to eliminate duplicates Z: 20 11.957 2.029 0.706 0.259 0.737 0.474 CA 1.417 20 residues pruned to eliminate duplicates Z: 47 28.315 2.048 0.501 0.487 0.870 0.609 CB 1.582 47 residues pruned to eliminate duplicates Z: 29 17.059 2.046 0.485 0.379 0.893 0.536 CA 1.353 29 residues pruned to eliminate duplicates Z: 34 19.874 2.065 0.487 0.377 0.848 0.606 CA 1.513 34 residues pruned to eliminate duplicates Z: 23 13.007 1.932 0.675 0.257 0.818 0.364 CA 1.383 23 residues pruned to eliminate duplicates Z: 30 18.689 2.060 0.646 0.346 0.793 0.517 CA 1.525 30 residues pruned to eliminate duplicates Z: 16 19.466 2.160 0.762 0.527 0.867 0.600 CA 1.484 16 residues pruned to eliminate duplicates Z: 31 27.364 2.123 0.520 0.613 0.933 0.700 CA 1.490 31 residues pruned to eliminate duplicates Z: 43 27.110 2.060 0.517 0.513 0.905 0.619 CA 1.462 43 residues pruned to eliminate duplicates Z: 39 29.252 2.003 0.519 0.624 0.895 0.684 CA 1.551 41 residues pruned to eliminate duplicates Z: 24 22.445 2.031 0.202 0.804 1.000 0.609 CB 1.470 24 residues pruned to eliminate duplicates Z: 59 33.504 2.020 0.533 0.531 0.879 0.569 CB 1.567 59 residues pruned to eliminate duplicates Z: 40 28.357 1.992 0.472 0.621 0.872 0.641 CA 1.584 40 residues pruned to eliminate duplicates Z: 54 35.725 2.057 0.593 0.573 0.906 0.585 CA 1.541 54 residues pruned to eliminate duplicates Z: 52 35.989 2.069 0.657 0.561 0.882 0.588 CA 1.570 52 residues pruned to eliminate duplicates Z: 48 36.968 2.116 0.615 0.554 0.936 0.660 CA 1.600 48 residues pruned to eliminate duplicates Z: 37 38.487 2.121 0.624 0.650 0.972 0.694 CA 1.665 37 residues pruned to eliminate duplicates Z: 50 40.750 2.073 0.785 0.562 0.918 0.612 CA 1.612 50 residues pruned to eliminate duplicates Z: 40 32.631 2.056 0.642 0.624 0.872 0.615 CB 1.579 40 residues pruned to eliminate duplicates Z: 56 34.492 2.011 0.673 0.526 0.909 0.527 CB 1.483 56 residues pruned to eliminate duplicates Z: 41 37.917 2.073 0.746 0.652 0.950 0.625 CB 1.514 41 residues pruned to eliminate duplicates Z: 41 35.897 2.042 0.666 0.660 0.950 0.650 CB 1.514 41 residues pruned to eliminate duplicates Z: 20 19.361 1.895 0.678 0.697 0.842 0.579 CB 1.385 20 residues pruned to eliminate duplicates Z: 41 32.219 1.996 0.602 0.626 0.900 0.575 CB 1.572 41 residues pruned to eliminate duplicates Z: 26 29.323 2.056 0.680 0.793 0.880 0.520 CB 1.492 26 residues pruned to eliminate duplicates Z: 19 32.971 2.131 0.749 0.843 1.000 0.556 CB 1.552 19 residues pruned to eliminate duplicates Z: 39 34.475 2.074 0.565 0.650 0.895 0.579 CB 1.675 38 residues pruned to eliminate duplicates Z: 22 28.273 2.041 0.756 0.853 0.762 0.381 CB 1.670 22 residues pruned to eliminate duplicates Z: 50 33.940 1.935 0.769 0.584 0.878 0.490 CB 1.489 41 residues pruned to eliminate duplicates Z: 22 42.060 2.154 0.819 0.926 1.000 0.381 CB 1.642 22 residues pruned to eliminate duplicates Z: 36 31.800 1.986 0.861 0.667 0.914 0.429 CB 1.362 36 residues pruned to eliminate duplicates Z: 36 31.457 2.059 0.793 0.684 0.857 0.400 CB 1.419 36 residues pruned to eliminate duplicates Z: 27 29.724 2.023 0.659 0.790 0.923 0.615 CB 1.459 27 residues pruned to eliminate duplicates Z: 25 38.183 2.119 0.798 0.828 0.958 0.500 CB 1.608 25 residues pruned to eliminate duplicates Z: 17 11.569 2.113 0.398 0.397 0.688 0.438 CB 1.587 17 residues pruned to eliminate duplicates Z: 23 15.534 1.973 0.407 0.490 0.818 0.545 CA 1.474 21 residues pruned to eliminate duplicates Z: 6 3.058 1.756 0.472 0.187 0.800 0.600 CA 0.963 6 residues pruned to eliminate duplicates Z: 17 12.932 2.087 0.189 0.441 0.812 0.625 CB 1.704 17 residues pruned to eliminate duplicates Z: 12 8.979 2.139 0.395 0.278 0.727 0.636 CB 1.603 12 residues pruned to eliminate duplicates Z: 17 12.394 2.054 0.191 0.424 0.812 0.500 CA 1.687 17 residues pruned to eliminate duplicates Z: 19 11.979 1.965 0.286 0.375 0.833 0.611 CA 1.532 19 residues pruned to eliminate duplicates Z: 15 12.581 2.037 0.292 0.478 0.857 0.571 CB 1.524 15 residues pruned to eliminate duplicates Z: 22 16.456 2.037 0.430 0.477 0.810 0.476 CA 1.559 25 residues pruned to eliminate duplicates Z: 6 7.196 1.682 0.302 0.786 1.000 0.600 CA 1.143 7 residues pruned to eliminate duplicates Z: 12 10.854 1.881 0.084 0.771 1.000 0.545 CA 1.262 12 residues pruned to eliminate duplicates Z: 10 17.448 2.137 0.343 0.791 1.000 0.333 CA 1.570 9 residues pruned to eliminate duplicates Z: 10 25.456 2.024 0.804 0.826 1.000 0.444 CA 1.752 13 residues pruned to eliminate duplicates Z: 9 22.675 2.053 0.728 0.891 1.000 0.625 CB 1.625 9 residues pruned to eliminate duplicates Z: 66 30.961 2.063 0.373 0.539 0.862 0.554 CA 1.515 66 residues pruned to eliminate duplicates Z: 30 22.152 2.046 0.552 0.531 0.828 0.552 CB 1.518 40 residues pruned to eliminate duplicates Z: 13 18.940 2.056 0.706 0.700 0.833 0.417 CB 1.559 Z: 14 15.897 1.915 0.731 0.583 0.923 0.462 CB 1.330 14 residues pruned to eliminate duplicates Z: 11 9.812 1.764 0.704 0.353 0.800 0.200 CB 1.513 9 residues pruned to eliminate duplicates 557 residues left after pruning, divided into chains as follows: A: 8 B: 7 C: 9 D: 7 E: 6 F: 13 G: 14 H: 16 I: 11 J: 7 K: 65 L: 9 M: 18 N: 27 O: 83 P: 13 Q: 11 R: 200 S: 21 T: 12 CC for partial structure against native data = 20.20 % ------------------------------------------------------------------------------ Global autotracing cycle 22 = 0.300, Contrast = 0.412, Connect. = 0.681 for dens.mod. cycle 1 = 0.300, Contrast = 0.475, Connect. = 0.703 for dens.mod. cycle 2 = 0.300, Contrast = 0.550, Connect. = 0.738 for dens.mod. cycle 3 = 0.300, Contrast = 0.556, Connect. = 0.743 for dens.mod. cycle 4 = 0.300, Contrast = 0.563, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.567, Connect. = 0.750 for dens.mod. cycle 6 = 0.300, Contrast = 0.571, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.573, Connect. = 0.755 for dens.mod. cycle 8 = 0.300, Contrast = 0.574, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.575, Connect. = 0.758 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6920 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1196 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 39 22.688 2.154 0.321 0.387 0.895 0.500 CA 1.631 B: 17 21.273 2.193 0.388 0.861 0.938 0.875 CB 1.369 7 residues pruned to eliminate duplicates C: 17 22.157 2.147 0.653 0.826 0.875 0.438 CB 1.344 17 residues pruned to eliminate duplicates D: 21 40.707 2.249 0.719 0.898 1.000 0.750 CB 1.684 E: 22 37.314 2.171 0.679 0.870 1.000 0.714 CA 1.630 22 residues pruned to eliminate duplicates F: 6 2.538 1.906 0.337 0.298 0.400 0.400 CA 1.395 G: 18 23.478 2.182 0.447 0.861 0.941 0.588 CB 1.408 18 residues pruned to eliminate duplicates H: 11 18.454 2.126 0.491 0.883 0.900 0.900 CA 1.479 I: 19 19.752 2.061 0.274 0.855 1.000 0.778 CB 1.308 19 residues pruned to eliminate duplicates J: 23 9.923 1.975 0.156 0.391 0.818 0.455 CB 1.271 K: 12 21.191 1.927 0.887 0.900 1.000 0.727 CA 1.255 12 residues pruned to eliminate duplicates L: 11 24.190 2.174 0.683 0.916 0.900 0.900 CA 1.640 11 residues pruned to eliminate duplicates M: 19 22.183 2.162 0.443 0.873 0.889 0.778 CB 1.373 17 residues pruned to eliminate duplicates N: 11 8.163 1.751 0.535 0.415 0.800 0.400 CA 1.311 O: 69 40.104 2.084 0.619 0.571 0.912 0.618 CA 1.475 11 residues pruned to eliminate duplicates P: 17 19.345 2.155 0.104 0.916 1.000 0.938 CB 1.437 17 residues pruned to eliminate duplicates Q: 20 14.812 2.236 0.432 0.371 0.895 0.474 CA 1.361 20 residues pruned to eliminate duplicates R: 8 8.168 1.991 0.011 0.572 0.857 0.571 C 1.670 7 residues pruned to eliminate duplicates S: 9 14.103 2.056 0.601 0.662 0.875 0.375 CA 1.490 T: 15 11.398 1.981 0.511 0.349 0.857 0.571 CB 1.398 U: 11 16.536 1.939 0.621 0.885 0.800 0.700 CA 1.502 9 residues pruned to eliminate duplicates V: 9 5.847 1.890 0.147 0.426 1.000 0.375 CB 1.030 9 residues pruned to eliminate duplicates W: 11 10.631 1.737 0.424 0.499 1.000 0.500 N 1.361 11 residues pruned to eliminate duplicates X: 20 27.405 2.073 0.706 0.901 1.000 0.579 CA 1.269 20 residues pruned to eliminate duplicates Y: 13 23.161 2.287 0.503 0.880 0.833 0.417 CA 1.692 13 residues pruned to eliminate duplicates Z: 22 40.096 2.201 0.797 0.939 1.000 0.714 CA 1.538 22 residues pruned to eliminate duplicates Z: 7 6.734 2.050 0.293 0.456 0.667 0.500 CA 1.628 Z: 22 38.750 2.127 0.638 0.917 1.000 0.905 CB 1.712 Z: 72 45.069 2.224 0.589 0.540 0.930 0.563 CA 1.566 42 residues pruned to eliminate duplicates Z: 22 33.205 2.147 0.600 0.857 1.000 0.714 CA 1.554 22 residues pruned to eliminate duplicates Z: 21 30.770 1.957 0.620 0.905 1.000 0.850 CA 1.544 21 residues pruned to eliminate duplicates Z: 54 44.320 2.183 0.619 0.618 0.981 0.623 CA 1.571 55 residues pruned to eliminate duplicates Z: 12 24.757 1.993 0.857 0.897 1.000 0.636 CA 1.444 12 residues pruned to eliminate duplicates Z: 21 27.558 2.096 0.280 0.888 1.000 0.800 CA 1.654 21 residues pruned to eliminate duplicates Z: 22 27.744 2.046 0.333 0.891 1.000 0.857 CB 1.596 22 residues pruned to eliminate duplicates Z: 10 16.341 1.873 0.949 0.796 0.889 0.778 CA 1.295 10 residues pruned to eliminate duplicates Z: 23 36.291 2.091 0.799 0.905 0.955 0.864 CB 1.534 23 residues pruned to eliminate duplicates Z: 11 27.183 2.157 0.820 0.895 1.000 0.700 CB 1.570 11 residues pruned to eliminate duplicates Z: 24 23.870 1.973 0.439 0.863 0.913 0.652 CA 1.408 24 residues pruned to eliminate duplicates Z: 22 35.502 2.207 0.585 0.926 1.000 0.857 CA 1.553 22 residues pruned to eliminate duplicates Z: 21 37.766 2.279 0.629 0.929 1.000 0.700 CA 1.592 21 residues pruned to eliminate duplicates Z: 8 13.194 2.052 0.401 0.828 0.857 0.714 CB 1.524 8 residues pruned to eliminate duplicates Z: 10 13.154 1.884 0.456 0.809 0.889 0.667 CB 1.373 10 residues pruned to eliminate duplicates Z: 12 10.962 2.125 0.330 0.388 0.909 0.545 CB 1.448 12 residues pruned to eliminate duplicates Z: 20 32.932 2.111 0.452 0.926 1.000 0.632 CB 1.728 21 residues pruned to eliminate duplicates Z: 21 47.481 2.314 0.929 0.926 0.950 0.650 CA 1.756 21 residues pruned to eliminate duplicates Z: 23 13.028 1.954 0.228 0.463 0.818 0.545 CA 1.469 Z: 6 3.441 1.649 0.044 0.415 0.800 0.800 CB 1.220 Z: 15 13.535 1.996 0.310 0.554 0.857 0.571 CB 1.531 15 residues pruned to eliminate duplicates Z: 11 16.700 1.942 0.811 0.837 1.000 0.800 CA 1.123 11 residues pruned to eliminate duplicates Z: 11 9.685 2.074 0.392 0.655 0.600 0.400 CB 1.530 11 residues pruned to eliminate duplicates Z: 11 22.173 1.976 0.682 0.894 1.000 0.800 CB 1.513 11 residues pruned to eliminate duplicates Z: 8 3.814 1.588 0.380 0.321 0.714 0.429 N 1.122 Z: 44 37.324 2.101 0.653 0.697 0.977 0.512 CA 1.402 44 residues pruned to eliminate duplicates Z: 15 20.293 2.170 0.328 0.878 1.000 0.929 CB 1.365 15 residues pruned to eliminate duplicates Z: 14 8.037 1.802 0.138 0.623 0.846 0.692 CB 1.143 Z: 21 36.860 2.260 0.789 0.905 0.900 0.500 CA 1.613 21 residues pruned to eliminate duplicates Z: 11 14.235 2.044 0.413 0.814 0.900 0.700 CB 1.319 11 residues pruned to eliminate duplicates Z: 30 13.069 1.937 0.469 0.303 0.724 0.448 CB 1.468 Z: 63 35.043 2.088 0.545 0.539 0.887 0.516 CA 1.497 63 residues pruned to eliminate duplicates Z: 16 10.845 2.089 0.185 0.410 0.867 0.467 CB 1.434 Z: 36 17.568 2.034 0.348 0.288 0.857 0.600 CB 1.604 36 residues pruned to eliminate duplicates Z: 11 21.955 2.212 0.731 0.875 0.900 0.500 CA 1.465 11 residues pruned to eliminate duplicates Z: 6 10.962 1.666 1.092 0.792 0.800 0.600 CA 1.360 6 residues pruned to eliminate duplicates Z: 36 23.198 2.097 0.404 0.470 0.886 0.486 CA 1.551 4 residues pruned to eliminate duplicates Z: 38 25.593 2.059 0.412 0.624 0.919 0.595 CA 1.402 38 residues pruned to eliminate duplicates Z: 22 11.377 1.867 0.327 0.354 0.905 0.476 CB 1.297 21 residues pruned to eliminate duplicates Z: 7 7.588 2.179 -0.173 0.850 1.000 1.000 CB 1.273 7 residues pruned to eliminate duplicates Z: 10 8.960 1.890 0.437 0.533 0.778 0.333 CA 1.368 7 residues pruned to eliminate duplicates Z: 19 23.405 2.124 0.527 0.827 0.889 0.611 CB 1.441 19 residues pruned to eliminate duplicates Z: 20 16.800 1.965 0.249 0.862 1.000 0.632 CA 1.153 20 residues pruned to eliminate duplicates Z: 13 10.805 1.981 0.393 0.698 0.750 0.417 CB 1.258 13 residues pruned to eliminate duplicates Z: 20 28.583 2.112 0.335 0.900 1.000 0.895 CA 1.662 20 residues pruned to eliminate duplicates Z: 21 41.415 2.264 0.741 0.917 1.000 0.800 CA 1.659 21 residues pruned to eliminate duplicates Z: 11 9.390 1.943 0.003 0.558 0.900 0.600 CA 1.600 Z: 22 30.751 2.034 0.478 0.925 1.000 0.905 CA 1.566 22 residues pruned to eliminate duplicates Z: 22 44.061 2.208 0.957 0.940 1.000 0.667 CA 1.545 22 residues pruned to eliminate duplicates Z: 9 15.905 2.125 0.281 0.906 1.000 1.000 CA 1.470 9 residues pruned to eliminate duplicates Z: 39 19.909 2.005 0.522 0.486 0.816 0.658 CA 1.317 39 residues pruned to eliminate duplicates Z: 22 34.222 2.130 0.568 0.871 0.952 0.762 CB 1.712 22 residues pruned to eliminate duplicates Z: 22 40.574 2.201 0.761 0.925 1.000 0.667 CA 1.603 22 residues pruned to eliminate duplicates Z: 31 16.565 1.993 0.356 0.391 0.867 0.567 CB 1.449 31 residues pruned to eliminate duplicates Z: 21 40.307 2.206 0.868 0.922 1.000 0.750 CA 1.537 21 residues pruned to eliminate duplicates Z: 21 36.363 2.115 0.636 0.933 1.000 0.950 CB 1.640 21 residues pruned to eliminate duplicates Z: 19 14.273 1.898 0.730 0.421 0.778 0.556 CB 1.430 19 residues pruned to eliminate duplicates Z: 15 9.178 2.042 0.511 0.396 0.857 0.500 CB 1.035 15 residues pruned to eliminate duplicates Z: 10 19.428 1.988 0.907 0.777 0.889 0.667 CA 1.505 14 residues pruned to eliminate duplicates Z: 14 12.150 2.081 0.288 0.520 0.923 0.615 CB 1.336 15 residues pruned to eliminate duplicates Z: 16 29.597 2.117 0.891 0.861 0.933 0.400 CA 1.502 16 residues pruned to eliminate duplicates Z: 20 11.283 1.768 0.568 0.325 0.947 0.526 CA 1.195 20 residues pruned to eliminate duplicates Z: 24 21.018 2.003 0.625 0.467 0.913 0.609 CB 1.525 26 residues pruned to eliminate duplicates Z: 12 20.813 2.091 0.776 0.911 0.909 0.727 CA 1.317 12 residues pruned to eliminate duplicates Z: 12 7.079 1.949 0.225 0.440 0.818 0.727 CB 1.162 14 residues pruned to eliminate duplicates Z: 11 14.917 1.927 0.656 0.847 0.800 0.600 CA 1.372 11 residues pruned to eliminate duplicates Z: 14 8.677 1.871 0.277 0.412 0.769 0.615 CB 1.436 14 residues pruned to eliminate duplicates Z: 22 18.035 2.058 0.444 0.443 0.952 0.476 CB 1.474 22 residues pruned to eliminate duplicates Z: 12 10.004 1.935 0.069 0.601 0.818 0.727 CA 1.620 12 residues pruned to eliminate duplicates Z: 10 6.809 1.976 0.245 0.326 0.778 0.333 CA 1.436 Z: 18 7.536 1.870 0.244 0.216 0.765 0.235 CA 1.434 18 residues pruned to eliminate duplicates Z: 12 13.899 2.148 0.384 0.465 0.909 0.727 CB 1.607 12 residues pruned to eliminate duplicates Z: 23 21.625 2.092 0.404 0.545 0.955 0.636 CA 1.574 10 residues pruned to eliminate duplicates Z: 18 14.738 2.005 0.559 0.374 0.882 0.529 CA 1.483 18 residues pruned to eliminate duplicates Z: 73 45.672 2.166 0.611 0.516 0.931 0.417 CA 1.631 73 residues pruned to eliminate duplicates Z: 13 8.120 1.827 0.512 0.454 0.833 0.500 CA 1.067 11 residues pruned to eliminate duplicates Z: 12 7.139 1.723 0.203 0.532 0.909 0.636 CB 1.108 Z: 15 10.356 1.898 0.674 0.354 0.857 0.500 CA 1.190 15 residues pruned to eliminate duplicates Z: 20 32.666 2.151 0.739 0.898 1.000 0.789 CA 1.433 20 residues pruned to eliminate duplicates Z: 51 37.454 2.170 0.548 0.605 0.900 0.480 CA 1.586 51 residues pruned to eliminate duplicates Z: 8 6.501 1.678 0.092 0.554 1.000 0.571 CB 1.273 Z: 10 10.282 1.743 0.683 0.701 0.889 0.556 CB 1.095 10 residues pruned to eliminate duplicates Z: 10 8.928 1.977 0.124 0.459 1.000 0.556 CA 1.396 12 residues pruned to eliminate duplicates Z: 22 32.106 2.163 0.514 0.896 1.000 0.810 CA 1.533 22 residues pruned to eliminate duplicates Z: 6 6.258 1.655 0.408 0.682 1.000 0.600 CA 1.016 6 residues pruned to eliminate duplicates Z: 7 7.688 1.835 0.231 0.758 0.833 0.833 CB 1.325 Z: 10 10.773 1.875 0.302 0.579 0.889 0.444 CA 1.535 Z: 10 4.114 1.675 0.632 0.200 0.667 0.333 CB 1.075 11 residues pruned to eliminate duplicates Z: 27 13.999 1.923 0.469 0.509 0.769 0.462 CB 1.253 27 residues pruned to eliminate duplicates Z: 21 45.433 2.251 0.859 0.908 1.000 0.600 CA 1.724 21 residues pruned to eliminate duplicates Z: 23 10.452 1.935 0.349 0.347 0.909 0.591 CA 1.108 23 residues pruned to eliminate duplicates Z: 22 34.081 2.206 0.592 0.923 0.952 0.810 CA 1.562 22 residues pruned to eliminate duplicates Z: 8 9.296 1.945 1.103 0.690 0.857 0.714 CB 0.843 Z: 18 20.248 1.969 0.607 0.822 0.941 0.706 CA 1.247 18 residues pruned to eliminate duplicates Z: 21 21.323 1.944 0.625 0.898 0.900 0.700 CA 1.199 21 residues pruned to eliminate duplicates Z: 53 39.309 2.193 0.397 0.632 0.962 0.538 CA 1.634 53 residues pruned to eliminate duplicates Z: 12 3.519 1.517 0.485 0.246 0.727 0.273 CA 0.868 12 residues pruned to eliminate duplicates Z: 68 47.890 2.220 0.633 0.557 0.940 0.478 CA 1.624 70 residues pruned to eliminate duplicates Z: 30 17.780 2.152 0.399 0.306 0.862 0.483 CA 1.579 30 residues pruned to eliminate duplicates Z: 39 22.149 2.072 0.287 0.491 0.921 0.579 CA 1.476 37 residues pruned to eliminate duplicates Z: 9 19.724 2.121 0.630 0.876 1.000 0.875 CA 1.467 9 residues pruned to eliminate duplicates Z: 6 8.872 1.893 0.347 0.869 1.000 0.800 CB 1.137 6 residues pruned to eliminate duplicates Z: 20 31.842 2.080 0.621 0.922 0.947 0.474 CB 1.609 20 residues pruned to eliminate duplicates Z: 39 22.523 2.033 0.373 0.515 0.921 0.684 CA 1.400 39 residues pruned to eliminate duplicates Z: 60 35.875 2.024 0.674 0.601 0.932 0.542 CA 1.343 60 residues pruned to eliminate duplicates Z: 37 20.965 2.035 0.500 0.392 0.833 0.528 CB 1.540 37 residues pruned to eliminate duplicates Z: 13 16.544 1.977 0.765 0.647 0.917 0.750 CA 1.302 13 residues pruned to eliminate duplicates Z: 7 3.538 1.809 -0.163 0.468 0.833 0.667 N 1.182 6 residues pruned to eliminate duplicates Z: 17 11.542 1.963 0.479 0.535 0.750 0.500 CB 1.280 19 residues pruned to eliminate duplicates Z: 36 19.798 2.025 0.442 0.432 0.857 0.514 CA 1.434 36 residues pruned to eliminate duplicates Z: 11 7.595 1.786 0.187 0.693 0.800 0.500 CB 1.188 Z: 27 13.766 1.931 0.328 0.335 0.808 0.385 CA 1.561 27 residues pruned to eliminate duplicates Z: 53 34.539 2.095 0.481 0.582 0.904 0.692 CA 1.578 52 residues pruned to eliminate duplicates Z: 7 8.261 1.964 0.860 0.778 1.000 0.667 CB 0.722 7 residues pruned to eliminate duplicates Z: 14 10.673 1.850 0.545 0.473 0.923 0.615 CA 1.152 14 residues pruned to eliminate duplicates Z: 9 10.468 1.852 0.602 0.756 0.875 0.500 CA 1.135 9 residues pruned to eliminate duplicates Z: 25 27.719 1.940 0.367 0.884 0.958 0.917 CA 1.608 25 residues pruned to eliminate duplicates Z: 22 10.764 1.995 0.271 0.389 0.857 0.429 CB 1.216 22 residues pruned to eliminate duplicates Z: 9 13.397 1.823 0.423 0.873 1.000 0.625 CA 1.331 9 residues pruned to eliminate duplicates Z: 20 29.930 2.069 0.533 0.892 1.000 0.684 CA 1.555 20 residues pruned to eliminate duplicates Z: 29 16.579 1.999 0.435 0.351 0.821 0.321 CB 1.562 29 residues pruned to eliminate duplicates Z: 19 12.274 1.994 0.559 0.368 0.778 0.611 CA 1.378 19 residues pruned to eliminate duplicates Z: 15 23.608 2.047 0.893 0.916 1.000 0.643 CB 1.150 15 residues pruned to eliminate duplicates Z: 6 5.687 1.652 -0.153 0.748 1.000 0.800 CB 1.455 Z: 21 39.106 2.227 0.802 0.902 1.000 0.850 CA 1.555 21 residues pruned to eliminate duplicates Z: 63 34.806 2.065 0.512 0.578 0.935 0.484 CA 1.403 63 residues pruned to eliminate duplicates Z: 9 15.072 2.149 0.567 0.560 0.875 0.750 CB 1.705 9 residues pruned to eliminate duplicates Z: 12 12.882 2.175 0.378 0.440 0.909 0.636 CB 1.516 12 residues pruned to eliminate duplicates Z: 22 45.742 2.207 0.923 0.906 1.000 0.476 CB 1.673 22 residues pruned to eliminate duplicates Z: 38 23.821 2.107 0.382 0.478 0.892 0.595 CA 1.542 41 residues pruned to eliminate duplicates Z: 10 2.566 1.408 0.023 0.323 0.667 0.444 O 1.081 10 residues pruned to eliminate duplicates Z: 23 9.911 1.841 0.275 0.398 0.682 0.455 N 1.469 Z: 11 5.355 1.649 0.229 0.502 0.800 0.500 CB 1.042 10 residues pruned to eliminate duplicates Z: 9 5.953 1.940 0.033 0.513 0.875 0.500 CB 1.185 9 residues pruned to eliminate duplicates Z: 53 28.964 2.042 0.584 0.567 0.865 0.481 CA 1.344 53 residues pruned to eliminate duplicates Z: 39 21.373 2.013 0.397 0.479 0.895 0.553 CA 1.408 39 residues pruned to eliminate duplicates Z: 40 26.556 2.067 0.496 0.489 0.897 0.487 CB 1.549 40 residues pruned to eliminate duplicates Z: 38 26.161 2.081 0.479 0.501 0.919 0.568 CB 1.520 37 residues pruned to eliminate duplicates Z: 8 3.551 1.836 0.193 0.425 0.857 0.429 CB 0.772 8 residues pruned to eliminate duplicates Z: 17 30.276 2.082 0.839 0.917 1.000 0.625 CA 1.395 17 residues pruned to eliminate duplicates Z: 21 12.627 2.044 0.273 0.463 0.800 0.400 CB 1.409 22 residues pruned to eliminate duplicates Z: 19 14.367 2.058 0.519 0.407 0.833 0.444 CA 1.433 19 residues pruned to eliminate duplicates Z: 17 16.437 1.966 0.698 0.479 0.812 0.688 CB 1.548 17 residues pruned to eliminate duplicates Z: 15 23.996 2.139 0.640 0.857 0.929 0.500 CB 1.451 15 residues pruned to eliminate duplicates Z: 37 23.213 2.006 0.560 0.417 0.889 0.472 CA 1.517 37 residues pruned to eliminate duplicates Z: 14 4.936 1.817 0.043 0.231 0.846 0.615 CB 1.168 14 residues pruned to eliminate duplicates Z: 10 6.043 1.931 -0.148 0.794 0.778 0.444 CB 1.218 10 residues pruned to eliminate duplicates Z: 17 13.257 2.045 0.267 0.431 0.812 0.562 CB 1.690 17 residues pruned to eliminate duplicates Z: 14 22.573 2.035 0.553 0.923 0.923 0.538 CB 1.508 14 residues pruned to eliminate duplicates Z: 23 18.094 1.915 0.153 0.822 0.955 0.727 CA 1.385 23 residues pruned to eliminate duplicates Z: 53 42.774 2.185 0.671 0.602 0.885 0.404 CA 1.666 53 residues pruned to eliminate duplicates Z: 12 9.107 1.848 0.130 0.566 0.818 0.545 CA 1.507 12 residues pruned to eliminate duplicates Z: 7 5.422 1.643 0.508 0.630 0.833 0.667 CB 0.949 Z: 17 24.440 2.106 0.691 0.874 0.938 0.562 CB 1.332 17 residues pruned to eliminate duplicates Z: 48 27.364 2.109 0.330 0.497 0.894 0.617 CA 1.596 48 residues pruned to eliminate duplicates Z: 49 38.917 2.161 0.661 0.624 0.875 0.417 CA 1.592 49 residues pruned to eliminate duplicates Z: 18 11.693 1.981 0.379 0.294 0.941 0.471 CB 1.390 18 residues pruned to eliminate duplicates Z: 8 6.929 1.735 0.281 0.505 0.857 0.571 CA 1.368 8 residues pruned to eliminate duplicates Z: 7 10.551 1.693 0.451 0.785 1.000 0.667 CB 1.365 7 residues pruned to eliminate duplicates Z: 35 37.973 2.211 0.776 0.621 0.971 0.529 CA 1.524 32 residues pruned to eliminate duplicates Z: 22 13.728 1.972 0.704 0.363 0.762 0.571 CA 1.356 22 residues pruned to eliminate duplicates Z: 6 6.132 1.909 0.183 0.704 0.800 0.600 CB 1.260 6 residues pruned to eliminate duplicates Z: 15 20.214 2.036 0.647 0.830 0.929 0.643 CB 1.304 15 residues pruned to eliminate duplicates Z: 21 16.625 2.157 0.465 0.340 0.850 0.600 CA 1.648 21 residues pruned to eliminate duplicates Z: 7 7.187 2.089 0.383 0.430 0.833 0.333 CA 1.311 7 residues pruned to eliminate duplicates Z: 14 6.206 1.765 0.241 0.496 0.846 0.538 CB 0.932 11 residues pruned to eliminate duplicates Z: 18 25.554 2.082 0.653 0.850 0.941 0.824 CB 1.417 18 residues pruned to eliminate duplicates Z: 8 6.752 1.703 0.079 0.700 0.857 0.857 CB 1.350 5 residues pruned to eliminate duplicates Z: 12 6.988 1.836 0.644 0.275 0.818 0.455 CB 1.101 12 residues pruned to eliminate duplicates Z: 19 9.882 1.952 0.293 0.398 0.722 0.611 CA 1.423 19 residues pruned to eliminate duplicates Z: 12 7.229 1.856 0.265 0.516 0.818 0.545 CB 1.117 12 residues pruned to eliminate duplicates Z: 14 17.032 1.723 0.638 0.785 1.000 0.692 CB 1.303 10 residues pruned to eliminate duplicates 6 1.988 1.594 0.401 0.345 0.600 0.600 CB 0.785 ? Z: 17 24.479 2.167 0.579 0.847 0.938 0.812 CB 1.416 17 residues pruned to eliminate duplicates Z: 11 13.169 1.923 0.074 0.873 1.000 0.600 CB 1.468 11 residues pruned to eliminate duplicates Z: 8 6.862 1.944 0.086 0.584 0.857 0.714 CB 1.322 8 residues pruned to eliminate duplicates Z: 23 25.437 2.032 0.278 0.850 0.955 0.636 CA 1.621 23 residues pruned to eliminate duplicates Z: 44 35.944 2.150 0.705 0.534 0.907 0.535 CA 1.595 44 residues pruned to eliminate duplicates Z: 31 15.680 2.024 0.281 0.522 0.767 0.567 CA 1.409 31 residues pruned to eliminate duplicates Z: 17 28.801 2.123 0.464 0.900 1.000 0.688 CB 1.654 17 residues pruned to eliminate duplicates Z: 16 11.816 1.876 0.294 0.368 0.933 0.533 CA 1.551 Z: 26 11.968 1.952 0.296 0.373 0.840 0.520 CB 1.291 16 residues pruned to eliminate duplicates Z: 18 21.085 2.037 0.366 0.854 0.882 0.765 CA 1.537 18 residues pruned to eliminate duplicates Z: 7 3.189 1.451 0.186 0.374 0.833 0.833 O 1.039 7 residues pruned to eliminate duplicates Z: 11 9.659 1.993 0.277 0.697 0.800 0.600 CB 1.253 11 residues pruned to eliminate duplicates Z: 20 22.408 2.036 0.610 0.755 0.947 0.579 CB 1.319 20 residues pruned to eliminate duplicates Z: 15 12.855 1.924 0.368 0.435 0.929 0.714 CA 1.504 16 residues pruned to eliminate duplicates Z: 16 11.941 2.157 0.300 0.446 0.733 0.467 CA 1.584 16 residues pruned to eliminate duplicates Z: 10 2.791 1.604 0.223 0.455 0.667 0.556 CB 0.745 10 residues pruned to eliminate duplicates Z: 28 19.296 2.056 0.435 0.438 0.926 0.407 CA 1.450 25 residues pruned to eliminate duplicates Z: 18 9.683 1.790 0.287 0.451 0.765 0.529 CB 1.401 18 residues pruned to eliminate duplicates Z: 31 20.751 1.979 0.500 0.428 0.900 0.533 CB 1.529 31 residues pruned to eliminate duplicates 11 1.852 1.240 0.164 0.141 0.600 0.500 N 1.055 ? Z: 13 16.115 2.082 0.652 0.570 0.833 0.667 CA 1.517 12 residues pruned to eliminate duplicates Z: 6 3.546 1.770 0.310 0.342 0.800 0.200 CA 1.016 Z: 42 26.557 2.002 0.675 0.644 0.805 0.537 CA 1.343 42 residues pruned to eliminate duplicates Z: 22 25.356 1.918 0.812 0.886 0.952 0.571 CA 1.206 22 residues pruned to eliminate duplicates Z: 19 12.225 1.987 0.419 0.244 0.944 0.556 CA 1.454 19 residues pruned to eliminate duplicates Z: 12 6.577 1.659 0.380 0.346 0.818 0.455 C 1.251 8 residues pruned to eliminate duplicates Z: 9 7.343 1.562 0.436 0.508 0.875 0.250 C 1.312 Z: 21 16.223 2.097 0.315 0.393 0.950 0.550 CA 1.551 21 residues pruned to eliminate duplicates Z: 7 6.282 1.944 -0.329 0.725 1.000 0.833 CB 1.605 7 residues pruned to eliminate duplicates Z: 21 34.169 2.200 0.850 0.912 0.950 0.700 CA 1.400 21 residues pruned to eliminate duplicates Z: 17 10.642 1.900 0.356 0.323 0.875 0.562 CA 1.433 17 residues pruned to eliminate duplicates Z: 29 15.638 1.974 0.397 0.331 0.857 0.393 CB 1.506 29 residues pruned to eliminate duplicates Z: 6 2.613 1.333 0.294 0.319 0.800 0.200 CA 1.034 Z: 25 14.396 1.980 0.379 0.395 0.833 0.417 CB 1.443 25 residues pruned to eliminate duplicates Z: 20 20.027 2.093 0.544 0.471 1.000 0.684 CA 1.464 20 residues pruned to eliminate duplicates Z: 7 5.322 1.481 0.530 0.536 0.833 0.500 CB 1.110 7 residues pruned to eliminate duplicates Z: 6 3.986 1.540 0.199 0.712 0.800 0.800 CB 0.996 Z: 9 17.065 2.095 0.421 0.853 1.000 0.875 CA 1.499 9 residues pruned to eliminate duplicates Z: 58 33.269 2.134 0.504 0.445 0.895 0.386 CA 1.623 58 residues pruned to eliminate duplicates Z: 19 7.941 1.684 0.226 0.308 0.833 0.556 CA 1.347 19 residues pruned to eliminate duplicates Z: 12 9.076 1.953 0.472 0.367 0.909 0.727 CB 1.208 12 residues pruned to eliminate duplicates Z: 6 6.949 1.689 0.837 0.768 0.800 0.400 CB 0.988 6 residues pruned to eliminate duplicates Z: 11 3.040 1.553 -0.049 0.285 0.900 0.500 CB 0.922 2 residues pruned to eliminate duplicates Z: 10 12.616 2.146 0.469 0.574 0.889 0.667 CA 1.397 10 residues pruned to eliminate duplicates Z: 72 44.820 2.232 0.538 0.521 0.915 0.535 CA 1.659 72 residues pruned to eliminate duplicates Z: 16 13.393 2.102 0.409 0.463 0.867 0.600 CB 1.399 16 residues pruned to eliminate duplicates Z: 18 6.631 1.935 0.384 0.336 0.941 0.588 CA 0.763 18 residues pruned to eliminate duplicates Z: 12 7.168 1.916 0.239 0.418 0.818 0.545 CB 1.212 12 residues pruned to eliminate duplicates Z: 19 10.590 1.719 0.463 0.481 0.833 0.556 CB 1.214 17 residues pruned to eliminate duplicates Z: 18 17.423 2.016 0.306 0.851 1.000 0.647 CB 1.187 18 residues pruned to eliminate duplicates Z: 13 3.968 1.568 0.167 0.305 0.750 0.417 CB 1.036 Z: 12 18.431 1.983 0.722 0.785 0.818 0.636 CA 1.547 12 residues pruned to eliminate duplicates Z: 9 5.096 1.354 0.888 0.623 0.750 0.750 CB 0.838 9 residues pruned to eliminate duplicates Z: 11 28.658 2.246 0.783 0.892 1.000 0.700 CB 1.625 11 residues pruned to eliminate duplicates Z: 9 2.957 1.624 0.185 0.326 0.750 0.375 CB 0.877 Z: 12 15.357 2.099 0.599 0.798 0.909 0.364 CB 1.169 12 residues pruned to eliminate duplicates Z: 38 21.270 2.060 0.384 0.468 0.892 0.514 CB 1.420 38 residues pruned to eliminate duplicates Z: 6 2.426 1.531 0.307 0.272 0.600 0.400 C 1.171 Z: 11 7.682 1.934 -0.069 0.403 1.000 0.600 CB 1.495 11 residues pruned to eliminate duplicates Z: 9 3.807 1.587 0.304 0.369 0.750 0.250 CB 0.998 10 residues pruned to eliminate duplicates Z: 19 24.707 2.106 0.745 0.896 0.889 0.611 CA 1.277 19 residues pruned to eliminate duplicates Z: 16 10.156 1.951 0.038 0.410 0.933 0.600 CA 1.525 16 residues pruned to eliminate duplicates Z: 17 6.054 1.461 0.495 0.236 0.938 0.375 CB 1.004 Z: 14 14.234 2.037 0.491 0.383 0.923 0.615 CA 1.595 14 residues pruned to eliminate duplicates Z: 16 5.424 1.772 0.131 0.243 0.800 0.467 CB 1.176 16 residues pruned to eliminate duplicates Z: 22 37.828 2.132 0.807 0.869 1.000 0.667 CA 1.565 22 residues pruned to eliminate duplicates Z: 9 18.332 2.204 0.394 0.877 1.000 0.625 CA 1.531 9 residues pruned to eliminate duplicates Z: 37 23.725 2.102 0.356 0.505 0.917 0.556 CA 1.507 37 residues pruned to eliminate duplicates Z: 6 5.761 1.772 0.647 0.800 0.800 0.600 CA 0.849 6 residues pruned to eliminate duplicates Z: 9 12.552 1.679 0.822 0.763 1.000 0.750 CA 1.149 7 residues pruned to eliminate duplicates Z: 79 40.698 2.087 0.498 0.578 0.923 0.577 CA 1.481 79 residues pruned to eliminate duplicates Z: 20 13.440 2.066 0.388 0.447 0.895 0.579 CB 1.268 20 residues pruned to eliminate duplicates Z: 56 27.759 2.010 0.456 0.509 0.964 0.545 CB 1.316 56 residues pruned to eliminate duplicates Z: 22 37.934 2.084 0.662 0.895 1.000 0.619 CB 1.714 22 residues pruned to eliminate duplicates Z: 21 40.324 2.244 0.783 0.914 0.950 0.700 CA 1.678 21 residues pruned to eliminate duplicates Z: 11 8.135 1.954 0.330 0.420 0.900 0.600 CB 1.195 11 residues pruned to eliminate duplicates Z: 14 18.234 1.835 0.966 0.840 1.000 0.462 CA 1.046 14 residues pruned to eliminate duplicates Z: 28 29.923 2.191 0.677 0.609 0.963 0.556 CA 1.468 28 residues pruned to eliminate duplicates Z: 7 6.254 1.569 1.119 0.375 0.833 0.667 N 1.053 Z: 18 7.535 1.806 0.268 0.483 0.882 0.529 CB 0.920 18 residues pruned to eliminate duplicates Z: 40 26.103 2.014 0.404 0.603 0.897 0.667 CB 1.493 40 residues pruned to eliminate duplicates Z: 25 8.645 1.914 0.194 0.354 0.792 0.333 CB 1.143 25 residues pruned to eliminate duplicates Z: 13 12.926 1.854 0.524 0.783 0.750 0.417 CA 1.372 13 residues pruned to eliminate duplicates Z: 17 11.208 1.958 0.253 0.449 0.812 0.500 CA 1.480 17 residues pruned to eliminate duplicates Z: 19 37.935 2.308 0.981 0.911 0.833 0.389 CB 1.664 19 residues pruned to eliminate duplicates Z: 10 3.048 1.471 0.410 0.166 0.778 0.444 N 0.946 Z: 11 10.266 1.975 0.661 0.400 0.900 0.500 CB 1.222 11 residues pruned to eliminate duplicates Z: 8 3.975 1.645 0.187 0.345 0.857 0.286 CB 1.063 Z: 9 10.828 1.833 0.554 0.819 0.875 0.500 CA 1.165 9 residues pruned to eliminate duplicates Z: 18 22.867 2.121 0.579 0.872 0.882 0.529 CB 1.368 18 residues pruned to eliminate duplicates Z: 9 4.393 1.757 -0.039 0.504 0.625 0.625 CA 1.467 7 residues pruned to eliminate duplicates Z: 6 3.883 1.563 0.124 0.463 1.000 0.600 CA 1.027 Z: 8 7.796 1.951 0.980 0.678 0.857 0.857 CB 0.755 8 residues pruned to eliminate duplicates Z: 23 16.193 1.986 0.410 0.470 0.864 0.636 CB 1.471 23 residues pruned to eliminate duplicates Z: 20 26.747 2.033 0.622 0.918 0.947 0.947 CA 1.385 20 residues pruned to eliminate duplicates Z: 14 12.115 1.689 0.579 0.490 0.923 0.615 CA 1.378 14 residues pruned to eliminate duplicates Z: 19 9.376 1.868 0.441 0.346 0.667 0.444 CA 1.455 19 residues pruned to eliminate duplicates Z: 6 3.520 1.631 0.217 0.623 1.000 0.800 CB 0.706 Z: 9 5.339 1.665 0.009 0.687 0.750 0.750 C 1.261 9 residues pruned to eliminate duplicates Z: 10 4.159 1.606 0.415 0.408 0.778 0.444 CB 0.863 10 residues pruned to eliminate duplicates Z: 19 10.644 1.969 0.322 0.344 1.000 0.611 CA 1.142 19 residues pruned to eliminate duplicates Z: 6 3.536 1.822 0.198 0.320 0.600 0.400 O 1.473 6 residues pruned to eliminate duplicates Z: 23 12.237 1.884 0.404 0.412 0.909 0.545 CB 1.190 27 residues pruned to eliminate duplicates Z: 16 5.966 1.541 0.841 0.172 0.667 0.200 CA 1.212 Z: 9 3.522 1.693 0.312 0.395 0.750 0.500 CB 0.835 Z: 72 43.316 2.184 0.650 0.518 0.901 0.521 CA 1.554 72 residues pruned to eliminate duplicates Z: 8 4.144 1.417 0.096 0.602 1.000 0.571 CB 0.916 Z: 8 5.915 1.757 0.143 0.551 0.857 0.429 CA 1.235 8 residues pruned to eliminate duplicates Z: 20 12.503 1.964 0.419 0.455 0.842 0.474 CB 1.280 20 residues pruned to eliminate duplicates Z: 6 2.175 1.372 0.459 0.288 0.800 0.800 N 0.771 Z: 6 10.680 1.771 0.665 0.828 1.000 0.800 CB 1.220 6 residues pruned to eliminate duplicates Z: 6 8.611 1.737 0.143 0.872 1.000 0.600 CB 1.414 6 residues pruned to eliminate duplicates Z: 12 7.466 1.915 0.142 0.422 1.000 0.636 CA 1.116 12 residues pruned to eliminate duplicates Z: 6 2.763 1.560 -0.187 0.455 1.000 0.800 CB 1.020 Z: 11 11.934 1.914 0.351 0.600 1.000 0.700 CB 1.327 10 residues pruned to eliminate duplicates Z: 14 8.839 1.893 0.272 0.413 0.769 0.538 N 1.450 14 residues pruned to eliminate duplicates Z: 7 5.916 2.135 0.148 0.583 0.833 0.833 CB 1.092 7 residues pruned to eliminate duplicates Z: 33 23.075 2.103 0.487 0.495 0.875 0.594 CA 1.498 36 residues pruned to eliminate duplicates Z: 8 12.302 1.950 1.067 0.660 0.857 0.857 CB 1.160 Z: 15 11.907 1.904 0.512 0.392 0.786 0.571 CA 1.577 15 residues pruned to eliminate duplicates Z: 21 5.660 1.785 0.169 0.253 0.600 0.350 CB 1.342 21 residues pruned to eliminate duplicates Z: 24 16.307 1.931 0.395 0.443 0.826 0.478 N 1.622 24 residues pruned to eliminate duplicates Z: 26 16.480 2.011 0.427 0.345 0.840 0.440 CB 1.619 26 residues pruned to eliminate duplicates Z: 7 3.813 2.001 0.020 0.366 0.833 0.333 CA 1.056 7 residues pruned to eliminate duplicates Z: 8 9.606 1.924 0.053 0.681 1.000 0.857 CB 1.517 9 residues pruned to eliminate duplicates Z: 38 23.684 2.035 0.446 0.461 0.919 0.568 CB 1.497 38 residues pruned to eliminate duplicates Z: 40 28.535 1.982 0.475 0.667 0.974 0.615 CA 1.375 40 residues pruned to eliminate duplicates Z: 7 4.365 1.671 0.134 0.565 0.833 0.833 CB 1.060 3 residues pruned to eliminate duplicates Z: 18 24.365 2.049 0.742 0.878 0.941 0.588 CA 1.277 18 residues pruned to eliminate duplicates Z: 11 12.800 1.857 0.284 0.584 1.000 0.600 C 1.567 13 residues pruned to eliminate duplicates Z: 6 5.602 1.767 0.593 0.588 1.000 0.600 CA 0.818 6 residues pruned to eliminate duplicates Z: 22 24.056 1.897 0.827 0.893 0.952 0.429 CA 1.142 22 residues pruned to eliminate duplicates Z: 11 9.692 1.838 0.308 0.588 1.000 0.700 CA 1.172 11 residues pruned to eliminate duplicates Z: 98 45.901 2.160 0.515 0.523 0.876 0.577 CA 1.589 98 residues pruned to eliminate duplicates Z: 13 8.748 2.026 0.352 0.457 0.833 0.667 CB 1.157 13 residues pruned to eliminate duplicates Z: 6 2.562 1.266 0.057 0.452 1.000 0.600 CB 0.900 Z: 7 3.445 1.635 0.046 0.238 0.833 0.167 O 1.337 Z: 10 7.555 1.665 0.724 0.384 0.778 0.667 CB 1.275 Z: 10 10.441 1.680 1.077 0.634 0.778 0.667 CB 1.131 10 residues pruned to eliminate duplicates Z: 6 3.762 1.691 0.542 0.299 0.800 0.400 CB 1.009 Z: 10 17.785 1.834 0.871 0.827 1.000 0.778 CA 1.302 10 residues pruned to eliminate duplicates Z: 38 32.029 2.170 0.663 0.612 0.919 0.541 CA 1.428 39 residues pruned to eliminate duplicates Z: 6 2.964 1.625 -0.074 0.582 0.800 0.800 CB 1.017 Z: 6 2.259 1.265 0.163 0.370 0.800 0.400 CB 0.987 Z: 7 5.308 1.803 0.357 0.456 0.833 0.500 CB 1.112 7 residues pruned to eliminate duplicates Z: 36 29.686 2.043 0.672 0.666 0.914 0.514 CA 1.378 36 residues pruned to eliminate duplicates Z: 10 5.129 1.721 0.368 0.471 0.889 0.556 N 0.841 Z: 12 16.864 1.954 0.568 0.630 0.909 0.727 CB 1.615 12 residues pruned to eliminate duplicates Z: 24 19.114 1.948 0.392 0.710 0.826 0.609 CA 1.470 24 residues pruned to eliminate duplicates Z: 38 26.008 2.089 0.565 0.491 0.919 0.568 CA 1.435 38 residues pruned to eliminate duplicates Z: 7 4.330 1.740 0.229 0.631 1.000 0.833 N 0.731 5 residues pruned to eliminate duplicates Z: 6 7.116 1.701 0.375 0.780 1.000 0.800 CA 1.062 Z: 8 6.369 1.532 0.401 0.359 1.000 0.429 CB 1.305 8 residues pruned to eliminate duplicates Z: 12 7.571 2.115 0.186 0.312 0.727 0.455 CA 1.540 12 residues pruned to eliminate duplicates Z: 6 4.071 1.625 0.016 0.429 0.800 0.400 O 1.484 Z: 9 3.145 1.543 0.683 0.158 0.500 0.250 CB 1.302 Z: 8 6.204 1.645 0.667 0.433 0.714 0.714 N 1.283 9 residues pruned to eliminate duplicates Z: 23 11.878 1.790 0.569 0.442 0.818 0.545 CB 1.170 23 residues pruned to eliminate duplicates Z: 6 6.762 1.523 0.684 0.846 1.000 0.800 CB 0.876 6 residues pruned to eliminate duplicates Z: 70 38.442 2.095 0.607 0.555 0.899 0.551 CA 1.451 70 residues pruned to eliminate duplicates Z: 21 13.337 1.939 0.319 0.518 0.850 0.600 CB 1.348 21 residues pruned to eliminate duplicates Z: 17 5.906 1.855 0.285 0.293 0.688 0.375 CB 1.136 10 residues pruned to eliminate duplicates Z: 14 5.246 1.706 0.378 0.336 0.692 0.308 N 1.070 14 residues pruned to eliminate duplicates Z: 7 3.305 1.342 0.019 0.737 1.000 0.667 CB 0.798 Z: 11 6.669 1.376 0.624 0.398 1.000 0.500 O 1.051 Z: 82 43.146 2.130 0.545 0.484 0.901 0.469 CB 1.643 82 residues pruned to eliminate duplicates Z: 35 19.550 2.107 0.429 0.385 0.824 0.529 CA 1.527 35 residues pruned to eliminate duplicates 9 1.862 1.313 0.449 0.179 0.625 0.375 CB 0.816 ? Z: 19 6.614 1.699 0.294 0.271 0.778 0.556 CA 1.182 18 residues pruned to eliminate duplicates Z: 9 3.190 1.547 0.573 0.454 0.500 0.375 CA 0.971 9 residues pruned to eliminate duplicates Z: 27 17.132 2.024 0.391 0.327 0.923 0.462 CB 1.563 27 residues pruned to eliminate duplicates Z: 12 10.499 2.003 0.393 0.360 0.909 0.455 CA 1.452 12 residues pruned to eliminate duplicates Z: 10 5.001 1.532 0.097 0.535 0.889 0.889 CB 1.078 10 residues pruned to eliminate duplicates Z: 6 2.258 1.381 0.702 0.299 0.800 0.400 CB 0.672 Z: 8 4.102 1.637 -0.010 0.550 0.857 0.286 N 1.063 8 residues pruned to eliminate duplicates 7 0.677 1.102 0.847 0.250 0.500 0.500 CB 0.362 ? Z: 22 24.417 1.931 0.694 0.904 0.905 0.714 CA 1.282 22 residues pruned to eliminate duplicates Z: 22 20.672 2.030 0.213 0.642 1.000 0.810 CA 1.604 22 residues pruned to eliminate duplicates Z: 6 5.274 1.602 0.345 0.457 1.000 0.600 CB 1.144 Z: 13 12.921 1.901 0.777 0.354 0.917 0.500 CA 1.411 13 residues pruned to eliminate duplicates Z: 24 13.050 1.891 0.542 0.434 0.913 0.522 CB 1.095 24 residues pruned to eliminate duplicates Z: 9 2.245 1.273 0.376 0.186 0.625 0.375 CA 1.058 Z: 12 8.378 1.749 0.338 0.559 0.909 0.545 CB 1.121 Z: 16 11.148 1.886 0.202 0.442 0.867 0.667 CA 1.555 16 residues pruned to eliminate duplicates Z: 11 14.677 2.094 0.388 0.805 0.900 0.600 CA 1.361 11 residues pruned to eliminate duplicates Z: 9 4.121 1.505 0.675 0.245 0.750 0.500 N 1.035 Z: 9 3.103 1.344 0.037 0.315 1.000 0.625 CB 0.966 Z: 15 15.143 2.016 0.516 0.508 0.857 0.429 CB 1.533 15 residues pruned to eliminate duplicates Z: 7 13.315 1.925 0.723 0.584 1.000 0.833 CA 1.512 7 residues pruned to eliminate duplicates Z: 11 5.861 1.898 0.187 0.318 0.700 0.400 CA 1.437 11 residues pruned to eliminate duplicates Z: 7 7.849 1.721 0.205 0.735 1.000 0.833 CB 1.252 9 residues pruned to eliminate duplicates Z: 7 4.431 1.462 0.656 0.778 0.667 0.667 CA 0.877 5 residues pruned to eliminate duplicates Z: 7 2.308 1.485 0.349 0.237 0.667 0.500 CB 0.957 Z: 21 6.796 1.580 0.285 0.377 0.850 0.500 CB 1.003 21 residues pruned to eliminate duplicates Z: 6 2.572 1.305 0.324 0.401 1.000 0.400 CB 0.739 6 1.757 1.611 0.101 0.330 0.600 0.400 CB 0.889 ? Z: 7 2.681 1.337 0.892 0.438 0.500 0.333 N 0.923 Z: 12 15.997 2.031 0.717 0.784 0.818 0.545 CB 1.317 12 residues pruned to eliminate duplicates Z: 9 6.510 1.753 0.191 0.407 0.875 0.500 CB 1.389 9 residues pruned to eliminate duplicates Z: 17 6.627 1.819 0.279 0.349 0.750 0.438 CB 1.119 17 residues pruned to eliminate duplicates Z: 30 16.773 1.934 0.427 0.417 0.862 0.414 CA 1.426 30 residues pruned to eliminate duplicates Z: 9 14.450 1.935 0.805 0.783 0.750 0.375 N 1.521 9 residues pruned to eliminate duplicates Z: 13 9.565 1.864 0.368 0.411 0.917 0.667 CB 1.296 13 residues pruned to eliminate duplicates Z: 12 5.021 1.579 0.522 0.319 0.727 0.545 CB 1.057 12 residues pruned to eliminate duplicates Z: 7 7.209 2.002 0.255 0.464 0.833 0.500 CA 1.458 7 residues pruned to eliminate duplicates Z: 7 2.723 1.485 0.141 0.332 0.833 0.500 CB 0.946 5 residues pruned to eliminate duplicates Z: 30 14.901 1.974 0.354 0.321 0.897 0.414 CB 1.406 30 residues pruned to eliminate duplicates Z: 10 8.623 1.634 0.627 0.534 0.889 0.556 CB 1.176 Z: 35 26.015 2.005 0.528 0.507 0.882 0.529 N 1.638 35 residues pruned to eliminate duplicates Z: 9 5.688 1.683 0.482 0.616 0.750 0.375 CB 0.963 Z: 12 2.659 1.421 0.210 0.327 0.727 0.364 CB 0.775 4 residues pruned to eliminate duplicates Z: 15 6.972 1.669 0.414 0.363 0.786 0.429 CB 1.165 16 residues pruned to eliminate duplicates Z: 10 3.324 1.435 0.504 0.251 0.667 0.444 CA 1.025 Z: 8 6.490 1.474 0.256 0.642 1.000 0.714 CB 1.160 8 residues pruned to eliminate duplicates Z: 37 32.505 2.064 0.606 0.623 0.944 0.694 CA 1.540 37 residues pruned to eliminate duplicates Z: 36 20.427 2.042 0.357 0.470 0.914 0.600 CB 1.404 36 residues pruned to eliminate duplicates Z: 15 6.826 1.652 0.394 0.428 0.857 0.571 CB 0.995 11 residues pruned to eliminate duplicates Z: 6 2.674 1.701 -0.054 0.587 1.000 0.600 N 0.684 7 residues pruned to eliminate duplicates Z: 7 3.150 1.524 0.136 0.334 0.667 0.500 N 1.337 Z: 8 3.115 1.376 0.271 0.334 1.000 0.857 CB 0.807 Z: 27 19.964 1.916 0.751 0.462 0.885 0.615 CA 1.372 27 residues pruned to eliminate duplicates Z: 13 12.232 2.016 0.487 0.415 0.917 0.667 N 1.404 13 residues pruned to eliminate duplicates Z: 25 16.805 1.984 0.461 0.496 0.875 0.583 CA 1.358 25 residues pruned to eliminate duplicates Z: 10 13.739 1.958 0.269 0.879 1.000 1.000 CA 1.337 10 residues pruned to eliminate duplicates Z: 17 13.213 2.080 0.409 0.435 0.812 0.438 CA 1.484 17 residues pruned to eliminate duplicates Z: 10 5.384 1.520 0.283 0.498 1.000 0.556 CB 0.923 10 residues pruned to eliminate duplicates Z: 6 2.510 1.564 0.020 0.365 0.800 0.600 N 1.017 Z: 17 12.504 1.956 0.569 0.367 0.875 0.375 CA 1.343 17 residues pruned to eliminate duplicates Z: 39 22.901 2.076 0.504 0.493 0.895 0.579 CA 1.339 39 residues pruned to eliminate duplicates Z: 28 13.802 1.934 0.180 0.381 0.889 0.593 CA 1.486 28 residues pruned to eliminate duplicates Z: 9 4.272 1.620 0.264 0.236 0.875 0.625 CA 1.145 9 residues pruned to eliminate duplicates Z: 9 3.483 1.728 0.339 0.303 0.750 0.625 CA 0.883 9 residues pruned to eliminate duplicates Z: 6 3.319 1.571 -0.012 0.467 0.800 0.600 CA 1.237 Z: 6 3.986 1.589 0.195 0.645 1.000 0.600 CB 0.820 Z: 19 29.327 2.189 0.783 0.839 0.889 0.333 CA 1.488 19 residues pruned to eliminate duplicates Z: 11 6.076 1.641 0.132 0.383 0.900 0.300 CB 1.302 11 residues pruned to eliminate duplicates Z: 9 10.415 1.868 0.511 0.549 0.875 0.625 CB 1.421 9 residues pruned to eliminate duplicates Z: 67 44.721 2.200 0.608 0.501 0.939 0.515 CA 1.654 69 residues pruned to eliminate duplicates Z: 7 2.180 1.746 0.312 0.320 0.833 0.667 CB 0.568 7 residues pruned to eliminate duplicates Z: 8 2.121 1.398 0.266 0.212 0.714 0.429 N 0.890 8 residues pruned to eliminate duplicates Z: 9 2.148 1.304 0.151 0.244 0.750 0.375 CB 0.907 6 1.666 1.452 -0.301 0.682 0.800 0.600 CB 0.777 ? Z: 16 8.425 1.891 0.587 0.255 0.667 0.200 N 1.440 16 residues pruned to eliminate duplicates Z: 7 2.739 1.452 0.406 0.394 0.833 0.333 CA 0.735 Z: 14 4.745 1.665 0.263 0.357 0.769 0.538 CB 0.950 14 residues pruned to eliminate duplicates Z: 7 2.018 1.332 0.741 0.246 0.667 0.500 C 0.714 Z: 11 11.929 1.994 0.513 0.628 0.900 0.700 CA 1.231 11 residues pruned to eliminate duplicates Z: 6 2.155 1.126 0.635 0.297 0.800 0.400 CB 0.821 Z: 8 4.088 1.487 0.357 0.370 0.714 0.571 CA 1.233 Z: 50 28.866 1.940 0.553 0.543 0.878 0.531 CA 1.495 53 residues pruned to eliminate duplicates Z: 14 7.975 1.721 0.318 0.398 0.923 0.692 CA 1.176 14 residues pruned to eliminate duplicates 7 1.830 1.560 0.211 0.272 0.667 0.500 CB 0.768 ? Z: 59 39.990 2.090 0.692 0.600 0.914 0.517 CA 1.477 59 residues pruned to eliminate duplicates Z: 12 7.663 1.872 0.317 0.337 0.909 0.545 CA 1.231 11 residues pruned to eliminate duplicates Z: 6 2.999 1.509 0.099 0.411 1.000 0.800 N 0.887 Z: 11 4.937 1.722 0.284 0.370 0.800 0.200 CB 1.014 11 residues pruned to eliminate duplicates Z: 6 3.107 1.218 0.151 0.450 1.000 0.400 CA 1.044 Z: 7 9.404 1.792 0.430 0.809 1.000 0.667 CB 1.145 7 residues pruned to eliminate duplicates Z: 9 4.163 1.569 0.804 0.265 0.750 0.500 CA 0.906 10 residues pruned to eliminate duplicates Z: 12 12.991 1.987 0.096 0.627 1.000 0.818 CB 1.596 12 residues pruned to eliminate duplicates Z: 9 2.512 1.447 0.378 0.321 0.750 0.500 CB 0.723 Z: 6 2.709 1.847 -0.200 0.752 0.800 0.800 CB 0.818 Z: 8 2.124 1.416 0.071 0.418 1.000 0.571 CB 0.577 Z: 9 4.185 1.483 0.332 0.424 0.750 0.750 N 1.080 6 residues pruned to eliminate duplicates Z: 8 4.423 1.850 -0.229 0.545 0.857 0.714 N 1.309 7 residues pruned to eliminate duplicates Z: 8 9.769 1.832 0.596 0.690 1.000 0.714 CA 1.062 8 residues pruned to eliminate duplicates Z: 8 2.638 1.097 0.423 0.286 0.857 0.286 O 0.949 6 1.776 1.273 0.147 0.376 0.800 0.200 CA 0.776 ? Z: 7 2.701 1.313 0.591 0.212 1.000 0.667 CB 0.741 Z: 14 16.941 2.086 0.533 0.604 0.923 0.615 CA 1.441 14 residues pruned to eliminate duplicates Z: 26 11.532 1.931 0.287 0.404 0.880 0.520 CB 1.167 26 residues pruned to eliminate duplicates Z: 21 12.497 1.961 0.276 0.483 0.800 0.550 CA 1.419 21 residues pruned to eliminate duplicates Z: 7 5.691 1.700 0.411 0.455 1.000 0.667 CB 1.014 7 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 9 7.222 1.477 0.521 0.490 1.000 0.500 N 1.147 9 residues pruned to eliminate duplicates Z: 8 8.526 1.692 0.339 0.566 1.000 0.571 N 1.335 8 residues pruned to eliminate duplicates Z: 7 7.053 1.684 0.425 0.536 1.000 0.333 CB 1.158 7 residues pruned to eliminate duplicates Z: 8 5.002 1.729 0.079 0.401 0.857 0.429 CB 1.312 8 residues pruned to eliminate duplicates Z: 6 6.560 1.871 0.135 0.551 1.000 0.600 CB 1.315 6 residues pruned to eliminate duplicates Z: 6 6.966 1.791 0.543 0.564 0.800 0.600 CB 1.325 6 residues pruned to eliminate duplicates Z: 8 8.461 1.965 0.229 0.482 1.000 0.429 CB 1.348 8 residues pruned to eliminate duplicates Z: 6 4.245 1.723 0.051 0.462 1.000 0.600 CA 1.091 6 residues pruned to eliminate duplicates Z: 7 7.201 1.753 0.130 0.677 1.000 0.667 N 1.261 7 residues pruned to eliminate duplicates Z: 8 5.030 1.655 0.228 0.571 0.714 0.429 CB 1.222 8 residues pruned to eliminate duplicates Z: 9 11.994 1.824 0.400 0.757 1.000 0.250 CA 1.321 12 residues pruned to eliminate duplicates 6 1.773 1.189 0.446 0.315 0.800 0.200 CA 0.708 ? Z: 6 2.403 1.561 -0.143 0.399 1.000 0.400 CA 0.893 6 residues pruned to eliminate duplicates Z: 6 4.050 1.788 0.817 0.474 1.000 0.600 CB 0.572 6 residues pruned to eliminate duplicates Z: 8 9.502 1.973 0.860 0.676 0.857 0.571 CB 0.971 8 residues pruned to eliminate duplicates Z: 6 7.201 1.865 0.410 0.536 1.000 0.800 CA 1.182 6 residues pruned to eliminate duplicates Z: 13 6.861 1.821 0.525 0.303 0.833 0.417 CB 1.066 12 residues pruned to eliminate duplicates Z: 6 6.474 1.857 0.547 0.387 1.000 0.600 CB 1.136 6 residues pruned to eliminate duplicates Z: 10 10.377 1.938 0.213 0.647 1.000 0.556 CB 1.283 13 residues pruned to eliminate duplicates Z: 6 4.924 1.652 0.176 0.476 1.000 1.000 CA 1.162 6 residues pruned to eliminate duplicates Z: 10 10.648 2.028 0.389 0.547 1.000 0.778 CB 1.204 9 residues pruned to eliminate duplicates Z: 6 3.717 1.446 0.695 0.337 0.800 0.400 CA 1.013 6 residues pruned to eliminate duplicates Z: 18 11.339 1.810 0.446 0.323 0.882 0.353 CA 1.447 16 residues pruned to eliminate duplicates Z: 7 5.890 1.727 0.256 0.465 0.833 0.833 CA 1.379 7 residues pruned to eliminate duplicates Z: 16 10.331 1.972 0.285 0.332 0.867 0.533 CB 1.460 16 residues pruned to eliminate duplicates Z: 17 11.705 1.877 0.404 0.339 0.875 0.438 CA 1.512 17 residues pruned to eliminate duplicates Z: 16 11.892 1.936 0.395 0.318 0.933 0.600 CB 1.490 16 residues pruned to eliminate duplicates Z: 16 14.216 1.958 0.525 0.361 0.933 0.333 CA 1.529 12 residues pruned to eliminate duplicates Z: 6 7.878 1.556 0.987 0.577 1.000 0.200 CA 1.058 6 residues pruned to eliminate duplicates Z: 14 13.213 1.868 0.403 0.468 0.923 0.615 CA 1.565 14 residues pruned to eliminate duplicates Z: 8 8.266 1.667 0.858 0.342 0.857 0.286 CB 1.398 8 residues pruned to eliminate duplicates Z: 18 10.380 1.808 0.347 0.349 0.824 0.412 CA 1.479 18 residues pruned to eliminate duplicates Z: 25 13.028 1.893 0.410 0.268 0.875 0.417 CB 1.482 43 residues pruned to eliminate duplicates Z: 6 4.682 1.709 0.307 0.321 1.000 0.800 CA 1.141 6 residues pruned to eliminate duplicates Z: 15 13.612 1.861 0.476 0.412 1.000 0.571 CA 1.451 15 residues pruned to eliminate duplicates Z: 11 9.996 2.017 0.072 0.505 0.900 0.400 CA 1.617 11 residues pruned to eliminate duplicates Z: 7 10.049 1.925 0.423 0.714 1.000 0.667 CB 1.234 7 residues pruned to eliminate duplicates Z: 10 6.971 1.736 0.237 0.413 0.889 0.667 CB 1.333 10 residues pruned to eliminate duplicates Z: 8 9.989 1.997 0.198 0.571 1.000 0.857 CB 1.474 10 residues pruned to eliminate duplicates Z: 7 12.135 1.709 0.566 0.830 1.000 0.500 CB 1.392 7 residues pruned to eliminate duplicates Z: 12 7.899 1.873 0.066 0.494 0.818 0.455 CB 1.468 12 residues pruned to eliminate duplicates Z: 10 6.246 1.836 0.028 0.459 0.778 0.444 N 1.478 10 residues pruned to eliminate duplicates Z: 9 6.731 1.977 -0.108 0.497 0.750 0.375 O 1.806 8 residues pruned to eliminate duplicates Z: 11 7.790 1.982 0.024 0.496 0.800 0.600 CB 1.522 11 residues pruned to eliminate duplicates Z: 11 9.671 1.863 0.084 0.512 1.000 0.500 CB 1.496 12 residues pruned to eliminate duplicates Z: 8 11.176 1.820 0.457 0.638 1.000 0.714 CA 1.400 9 residues pruned to eliminate duplicates Z: 9 11.430 1.740 0.414 0.674 1.000 0.625 CA 1.399 8 residues pruned to eliminate duplicates Z: 8 8.909 1.772 0.239 0.622 1.000 0.857 CA 1.367 8 residues pruned to eliminate duplicates Z: 15 5.485 1.702 0.107 0.272 0.786 0.500 CA 1.282 15 residues pruned to eliminate duplicates Z: 15 7.671 1.579 0.513 0.341 0.929 0.357 CB 1.098 15 residues pruned to eliminate duplicates Z: 38 25.416 2.129 0.430 0.490 0.919 0.595 CA 1.507 38 residues pruned to eliminate duplicates Z: 39 23.250 2.090 0.361 0.477 0.895 0.579 CB 1.516 39 residues pruned to eliminate duplicates Z: 37 21.582 2.131 0.438 0.425 0.861 0.472 CA 1.474 39 residues pruned to eliminate duplicates Z: 8 5.982 1.530 0.654 0.442 0.857 0.714 CA 1.107 8 residues pruned to eliminate duplicates Z: 29 18.278 2.021 0.386 0.382 0.929 0.393 CA 1.506 29 residues pruned to eliminate duplicates Z: 40 22.275 2.063 0.384 0.457 0.872 0.615 CB 1.497 40 residues pruned to eliminate duplicates Z: 44 19.966 2.047 0.407 0.368 0.814 0.442 CA 1.497 44 residues pruned to eliminate duplicates Z: 38 24.027 2.150 0.386 0.461 0.865 0.649 CA 1.594 38 residues pruned to eliminate duplicates Z: 38 21.856 2.120 0.431 0.444 0.811 0.514 CA 1.547 38 residues pruned to eliminate duplicates Z: 27 17.313 2.082 0.401 0.409 0.846 0.385 CA 1.513 27 residues pruned to eliminate duplicates Z: 37 23.989 2.096 0.391 0.491 0.917 0.556 CA 1.508 37 residues pruned to eliminate duplicates Z: 38 24.103 2.116 0.444 0.462 0.865 0.541 CA 1.558 38 residues pruned to eliminate duplicates Z: 39 20.747 2.085 0.237 0.459 0.895 0.526 CB 1.520 39 residues pruned to eliminate duplicates Z: 37 27.002 2.154 0.386 0.499 0.944 0.583 CA 1.597 36 residues pruned to eliminate duplicates Z: 7 4.724 1.705 0.388 0.455 0.667 0.333 CA 1.280 7 residues pruned to eliminate duplicates Z: 41 24.811 2.109 0.469 0.417 0.875 0.475 CB 1.578 41 residues pruned to eliminate duplicates Z: 39 27.939 2.094 0.566 0.496 0.921 0.579 CB 1.506 38 residues pruned to eliminate duplicates Z: 6 3.726 1.760 0.158 0.411 0.800 0.600 CB 1.122 6 residues pruned to eliminate duplicates Z: 42 23.948 2.096 0.513 0.454 0.829 0.537 CB 1.491 37 residues pruned to eliminate duplicates Z: 6 4.457 1.706 0.412 0.357 0.800 0.200 CB 1.207 6 residues pruned to eliminate duplicates Z: 39 24.981 2.091 0.383 0.509 0.947 0.553 CA 1.467 39 residues pruned to eliminate duplicates Z: 17 11.131 1.986 0.379 0.531 0.812 0.562 CB 1.213 17 residues pruned to eliminate duplicates Z: 14 9.775 1.949 0.117 0.596 0.923 0.692 CB 1.231 14 residues pruned to eliminate duplicates Z: 42 22.301 2.055 0.438 0.461 0.805 0.537 CA 1.524 42 residues pruned to eliminate duplicates Z: 39 25.801 2.076 0.487 0.490 0.895 0.553 CA 1.531 40 residues pruned to eliminate duplicates Z: 10 5.118 1.416 0.604 0.618 0.667 0.000 C 1.008 5 residues pruned to eliminate duplicates Z: 6 2.907 1.455 0.344 0.586 0.600 0.000 CB 1.020 6 residues pruned to eliminate duplicates Z: 18 6.988 1.932 0.174 0.319 0.647 0.235 CB 1.410 18 residues pruned to eliminate duplicates Z: 6 5.024 1.921 -0.168 0.642 0.800 0.600 CB 1.539 6 residues pruned to eliminate duplicates Z: 31 11.210 1.896 0.226 0.405 0.867 0.500 CB 1.122 46 residues pruned to eliminate duplicates Z: 6 3.125 1.757 -0.023 0.456 0.800 0.200 CB 1.064 Z: 6 3.842 1.745 -0.234 0.570 1.000 0.400 CB 1.200 6 residues pruned to eliminate duplicates Z: 7 2.807 1.572 0.763 0.146 0.667 0.333 CB 0.961 3 residues pruned to eliminate duplicates Z: 6 5.419 1.572 0.444 0.425 1.000 0.000 N 1.153 Z: 12 10.193 1.926 0.440 0.460 0.909 0.545 CB 1.269 12 residues pruned to eliminate duplicates Z: 18 14.525 1.972 0.280 0.546 0.941 0.765 CA 1.417 18 residues pruned to eliminate duplicates Z: 21 15.745 1.964 0.472 0.526 0.950 0.550 CA 1.249 21 residues pruned to eliminate duplicates Z: 21 14.507 1.961 0.303 0.554 1.000 0.700 CB 1.205 21 residues pruned to eliminate duplicates Z: 23 13.617 1.946 0.256 0.485 0.955 0.636 CA 1.263 23 residues pruned to eliminate duplicates Z: 28 13.313 1.903 0.365 0.423 0.889 0.444 CB 1.202 28 residues pruned to eliminate duplicates Z: 12 8.571 1.837 0.572 0.515 0.818 0.636 CA 1.077 12 residues pruned to eliminate duplicates Z: 23 13.832 1.959 0.460 0.432 0.909 0.500 CB 1.218 23 residues pruned to eliminate duplicates Z: 28 12.367 1.929 0.436 0.363 0.852 0.407 CB 1.170 28 residues pruned to eliminate duplicates Z: 23 14.252 1.927 0.527 0.480 0.955 0.636 CB 1.104 23 residues pruned to eliminate duplicates Z: 9 2.938 1.802 0.042 0.199 0.750 0.250 CB 1.055 9 residues pruned to eliminate duplicates Z: 7 3.692 1.771 0.215 0.218 0.667 0.167 C 1.463 7 residues pruned to eliminate duplicates Z: 6 2.594 1.809 0.018 0.307 0.600 0.200 CB 1.301 6 residues pruned to eliminate duplicates Z: 11 4.490 1.860 0.103 0.346 0.800 0.200 CA 1.022 11 residues pruned to eliminate duplicates Z: 17 8.155 1.800 0.195 0.429 0.875 0.438 CB 1.167 12 residues pruned to eliminate duplicates Z: 6 4.291 1.635 0.446 0.441 1.000 0.400 CA 0.863 6 residues pruned to eliminate duplicates Z: 6 6.748 1.866 0.480 0.662 1.000 0.400 CA 0.940 6 residues pruned to eliminate duplicates Z: 13 8.022 1.771 0.255 0.449 0.917 0.583 CA 1.198 13 residues pruned to eliminate duplicates Z: 11 4.756 1.799 0.239 0.381 0.800 0.400 CB 0.957 11 residues pruned to eliminate duplicates Z: 16 8.752 1.799 0.295 0.494 0.867 0.467 CB 1.126 16 residues pruned to eliminate duplicates Z: 7 6.915 1.782 0.478 0.754 1.000 0.667 CA 0.855 7 residues pruned to eliminate duplicates Z: 11 9.482 1.812 0.330 0.483 1.000 0.400 CB 1.265 11 residues pruned to eliminate duplicates Z: 7 6.521 1.761 0.292 0.582 1.000 0.667 CB 1.082 7 residues pruned to eliminate duplicates Z: 11 8.025 1.777 0.337 0.407 0.900 0.400 CA 1.308 11 residues pruned to eliminate duplicates Z: 6 4.217 1.750 0.043 0.457 1.000 0.600 CB 1.080 6 residues pruned to eliminate duplicates Z: 10 8.415 1.899 0.426 0.428 0.889 0.444 CB 1.256 10 residues pruned to eliminate duplicates Z: 15 9.574 1.717 0.330 0.445 0.929 0.357 CA 1.277 12 residues pruned to eliminate duplicates Z: 6 2.377 1.618 0.319 0.525 0.400 0.000 CA 1.215 6 residues pruned to eliminate duplicates Z: 24 18.060 2.067 0.445 0.364 0.870 0.522 CA 1.679 24 residues pruned to eliminate duplicates Z: 28 14.925 1.976 0.430 0.304 0.889 0.333 CB 1.423 28 residues pruned to eliminate duplicates Z: 12 8.839 2.061 0.340 0.316 0.818 0.273 CA 1.446 12 residues pruned to eliminate duplicates Z: 10 7.622 1.845 0.525 0.312 0.778 0.111 CA 1.430 10 residues pruned to eliminate duplicates Z: 14 8.632 2.090 0.365 0.218 0.692 0.231 CB 1.689 14 residues pruned to eliminate duplicates Z: 24 16.106 2.025 0.452 0.348 0.826 0.522 CB 1.630 24 residues pruned to eliminate duplicates Z: 27 18.170 2.076 0.481 0.312 0.846 0.346 CB 1.687 27 residues pruned to eliminate duplicates Z: 6 4.537 1.474 1.059 0.256 0.800 0.200 N 1.105 6 residues pruned to eliminate duplicates Z: 29 17.600 1.985 0.502 0.309 0.857 0.286 CA 1.608 29 residues pruned to eliminate duplicates Z: 26 16.194 1.942 0.323 0.378 0.960 0.360 CB 1.495 26 residues pruned to eliminate duplicates Z: 28 14.724 2.016 0.311 0.323 0.815 0.444 CB 1.599 28 residues pruned to eliminate duplicates Z: 25 18.441 2.076 0.383 0.408 0.875 0.375 CA 1.650 25 residues pruned to eliminate duplicates Z: 22 16.277 1.973 0.414 0.453 0.810 0.524 CA 1.652 22 residues pruned to eliminate duplicates Z: 25 16.695 2.069 0.398 0.349 0.833 0.500 CB 1.665 25 residues pruned to eliminate duplicates Z: 34 14.784 1.898 0.323 0.307 0.848 0.455 CB 1.496 34 residues pruned to eliminate duplicates Z: 24 16.560 2.094 0.341 0.401 0.826 0.652 CA 1.651 25 residues pruned to eliminate duplicates 6 1.768 1.539 0.235 0.125 0.800 0.400 CB 0.832 ? Z: 7 6.995 1.791 0.706 0.413 0.833 0.667 CB 1.228 7 residues pruned to eliminate duplicates Z: 12 6.615 2.008 0.681 0.311 0.727 0.273 CB 1.001 12 residues pruned to eliminate duplicates Z: 20 11.559 2.007 0.305 0.356 0.789 0.368 CA 1.497 19 residues pruned to eliminate duplicates 6 1.958 1.758 -0.064 0.240 0.600 0.200 CB 1.199 ? Z: 6 7.573 1.794 0.534 0.416 1.000 0.600 CB 1.345 6 residues pruned to eliminate duplicates Z: 21 16.753 2.105 0.382 0.495 0.950 0.650 CB 1.362 21 residues pruned to eliminate duplicates Z: 6 4.769 1.719 0.085 0.469 1.000 0.800 CA 1.180 6 residues pruned to eliminate duplicates Z: 65 39.929 2.108 0.553 0.612 0.938 0.641 CA 1.463 65 residues pruned to eliminate duplicates Z: 23 16.971 2.104 0.326 0.395 1.000 0.545 CB 1.448 24 residues pruned to eliminate duplicates Z: 15 17.023 1.983 0.635 0.798 0.786 0.643 CA 1.376 15 residues pruned to eliminate duplicates Z: 35 32.974 2.115 0.549 0.755 0.971 0.706 CA 1.417 35 residues pruned to eliminate duplicates Z: 80 37.752 2.080 0.387 0.528 0.949 0.532 CA 1.509 80 residues pruned to eliminate duplicates Z: 83 40.812 2.108 0.521 0.537 0.890 0.512 CB 1.523 83 residues pruned to eliminate duplicates Z: 41 28.597 2.057 0.508 0.629 0.975 0.525 CA 1.324 41 residues pruned to eliminate duplicates Z: 80 39.172 2.041 0.567 0.494 0.899 0.468 CB 1.543 80 residues pruned to eliminate duplicates Z: 14 18.782 1.993 0.678 0.764 1.000 0.462 CA 1.232 14 residues pruned to eliminate duplicates Z: 12 9.011 1.902 0.935 0.496 0.636 0.455 CA 1.165 12 residues pruned to eliminate duplicates Z: 16 15.989 1.991 0.591 0.785 0.867 0.200 CA 1.170 16 residues pruned to eliminate duplicates Z: 19 16.394 1.909 0.427 0.689 0.944 0.611 CA 1.263 19 residues pruned to eliminate duplicates Z: 22 13.227 1.888 0.627 0.560 0.810 0.238 CA 1.095 22 residues pruned to eliminate duplicates Z: 19 17.750 1.899 0.607 0.756 0.944 0.722 CA 1.156 19 residues pruned to eliminate duplicates Z: 60 38.121 2.115 0.568 0.580 0.898 0.610 CA 1.543 60 residues pruned to eliminate duplicates Z: 21 27.583 2.039 0.852 0.782 0.950 0.650 CA 1.340 21 residues pruned to eliminate duplicates Z: 29 18.800 1.999 0.448 0.647 0.821 0.607 CA 1.303 29 residues pruned to eliminate duplicates Z: 62 39.008 2.082 0.608 0.557 0.967 0.574 CA 1.459 62 residues pruned to eliminate duplicates Z: 58 42.748 2.133 0.733 0.607 0.947 0.579 CA 1.461 58 residues pruned to eliminate duplicates Z: 44 35.089 2.071 0.688 0.681 0.930 0.605 CA 1.393 44 residues pruned to eliminate duplicates Z: 82 39.028 2.057 0.560 0.509 0.889 0.568 CA 1.507 82 residues pruned to eliminate duplicates Z: 24 22.297 2.065 0.615 0.725 0.913 0.565 CA 1.246 24 residues pruned to eliminate duplicates Z: 79 42.400 2.079 0.642 0.540 0.897 0.564 CA 1.508 77 residues pruned to eliminate duplicates Z: 6 3.665 1.605 0.308 0.629 0.600 0.200 CA 1.152 6 residues pruned to eliminate duplicates Z: 48 33.886 2.080 0.707 0.647 0.957 0.553 CA 1.268 48 residues pruned to eliminate duplicates Z: 62 38.720 2.079 0.604 0.607 0.934 0.393 CA 1.438 62 residues pruned to eliminate duplicates Z: 20 18.648 2.010 0.610 0.565 0.895 0.579 CB 1.387 20 residues pruned to eliminate duplicates Z: 37 27.492 2.070 0.683 0.497 0.889 0.500 CB 1.483 37 residues pruned to eliminate duplicates Z: 46 30.627 2.058 0.579 0.511 0.933 0.622 CB 1.489 46 residues pruned to eliminate duplicates Z: 62 38.006 2.058 0.601 0.565 0.934 0.508 CA 1.484 62 residues pruned to eliminate duplicates Z: 42 35.748 2.054 0.696 0.670 0.951 0.415 CA 1.441 42 residues pruned to eliminate duplicates Z: 40 34.461 2.080 0.834 0.697 0.897 0.385 CA 1.347 40 residues pruned to eliminate duplicates Z: 47 29.698 2.111 0.500 0.474 0.913 0.478 CB 1.555 47 residues pruned to eliminate duplicates Z: 50 31.013 2.096 0.532 0.491 0.878 0.531 CB 1.585 50 residues pruned to eliminate duplicates Z: 61 41.966 2.100 0.649 0.581 0.967 0.533 CA 1.497 61 residues pruned to eliminate duplicates Z: 67 42.587 2.107 0.625 0.612 0.924 0.606 CA 1.490 67 residues pruned to eliminate duplicates Z: 48 37.893 2.101 0.729 0.621 0.957 0.511 CA 1.418 48 residues pruned to eliminate duplicates Z: 32 20.437 2.079 0.568 0.405 0.806 0.613 CB 1.543 32 residues pruned to eliminate duplicates Z: 67 43.991 2.106 0.641 0.589 0.939 0.576 CA 1.531 67 residues pruned to eliminate duplicates Z: 11 9.230 1.974 0.426 0.309 0.900 0.500 CA 1.425 11 residues pruned to eliminate duplicates Z: 25 22.127 2.114 0.493 0.414 0.917 0.542 CA 1.708 25 residues pruned to eliminate duplicates Z: 69 38.746 2.100 0.519 0.604 0.912 0.662 CA 1.463 69 residues pruned to eliminate duplicates Z: 62 41.765 2.091 0.663 0.563 0.902 0.475 CB 1.603 62 residues pruned to eliminate duplicates Z: 67 43.617 2.118 0.553 0.609 0.970 0.591 CA 1.518 67 residues pruned to eliminate duplicates Z: 53 33.217 2.118 0.579 0.530 0.865 0.577 CA 1.545 53 residues pruned to eliminate duplicates Z: 25 20.897 2.086 0.560 0.439 0.875 0.417 CB 1.595 26 residues pruned to eliminate duplicates Z: 6 5.882 1.820 0.624 0.302 0.800 0.200 CA 1.387 6 residues pruned to eliminate duplicates Z: 25 17.895 2.109 0.427 0.425 0.833 0.583 CA 1.574 25 residues pruned to eliminate duplicates Z: 6 2.503 1.397 0.561 0.360 0.800 0.800 O 0.746 6 residues pruned to eliminate duplicates Z: 79 42.441 2.105 0.631 0.521 0.923 0.526 CA 1.484 79 residues pruned to eliminate duplicates Z: 62 42.162 2.077 0.616 0.637 0.967 0.623 CA 1.462 62 residues pruned to eliminate duplicates Z: 85 42.400 2.075 0.633 0.556 0.869 0.524 CA 1.488 85 residues pruned to eliminate duplicates Z: 25 22.041 2.066 0.647 0.449 0.875 0.667 CB 1.592 25 residues pruned to eliminate duplicates Z: 83 48.854 2.135 0.640 0.577 0.939 0.561 CA 1.523 83 residues pruned to eliminate duplicates Z: 61 34.474 2.040 0.670 0.553 0.867 0.600 CA 1.431 61 residues pruned to eliminate duplicates Z: 42 37.019 2.135 0.711 0.547 0.927 0.585 CA 1.631 42 residues pruned to eliminate duplicates Z: 62 38.917 2.117 0.634 0.561 0.918 0.508 CA 1.479 62 residues pruned to eliminate duplicates Z: 67 44.460 2.110 0.625 0.611 0.939 0.530 CA 1.529 67 residues pruned to eliminate duplicates Z: 8 4.569 1.817 1.059 0.198 0.571 0.429 CB 1.157 8 residues pruned to eliminate duplicates Z: 8 2.162 1.778 0.370 0.071 0.571 0.429 CB 1.027 8 residues pruned to eliminate duplicates Z: 9 4.902 1.770 0.552 0.175 0.750 0.375 CB 1.246 2 residues pruned to eliminate duplicates Z: 6 2.792 1.794 0.329 0.100 0.600 0.400 CA 1.455 6 residues pruned to eliminate duplicates Z: 14 12.575 1.983 0.440 0.407 0.923 0.462 CB 1.459 14 residues pruned to eliminate duplicates Z: 14 13.842 2.040 0.632 0.370 0.923 0.538 CB 1.436 14 residues pruned to eliminate duplicates Z: 15 11.494 1.946 0.776 0.231 0.786 0.500 CB 1.549 15 residues pruned to eliminate duplicates Z: 13 17.325 2.128 0.753 0.394 0.917 0.583 CB 1.637 13 residues pruned to eliminate duplicates Z: 14 12.104 2.008 0.453 0.386 0.846 0.462 CB 1.536 14 residues pruned to eliminate duplicates Z: 13 16.980 2.153 0.549 0.361 1.000 0.667 CB 1.706 13 residues pruned to eliminate duplicates Z: 12 14.601 2.177 0.570 0.338 1.000 0.545 CB 1.537 12 residues pruned to eliminate duplicates Z: 13 11.310 2.035 0.502 0.266 0.833 0.500 CB 1.674 13 residues pruned to eliminate duplicates Z: 13 13.313 2.140 0.682 0.305 0.833 0.667 CB 1.593 13 residues pruned to eliminate duplicates Z: 12 14.419 2.175 0.400 0.398 1.000 0.727 CB 1.589 12 residues pruned to eliminate duplicates Z: 15 12.352 1.905 0.525 0.347 0.929 0.571 CA 1.445 15 residues pruned to eliminate duplicates Z: 15 5.447 1.881 0.183 0.262 0.714 0.571 CB 1.202 15 residues pruned to eliminate duplicates Z: 9 5.658 1.981 0.174 0.186 0.875 0.625 N 1.433 9 residues pruned to eliminate duplicates Z: 11 6.735 1.989 0.242 0.236 0.900 0.500 CB 1.302 11 residues pruned to eliminate duplicates Z: 15 7.180 1.852 0.283 0.258 0.857 0.500 CB 1.242 15 residues pruned to eliminate duplicates Z: 6 2.546 1.363 0.554 0.333 1.000 0.800 CA 0.645 Z: 7 6.186 1.612 0.640 0.378 0.833 0.667 CB 1.305 13 residues pruned to eliminate duplicates Z: 13 5.828 1.961 0.195 0.307 0.750 0.667 CB 1.187 13 residues pruned to eliminate duplicates Z: 9 3.335 1.992 -0.045 0.319 0.750 0.625 CB 1.009 9 residues pruned to eliminate duplicates Z: 45 24.938 2.025 0.490 0.485 0.955 0.432 CA 1.325 45 residues pruned to eliminate duplicates Z: 16 8.091 2.061 0.410 0.275 0.800 0.467 CA 1.159 16 residues pruned to eliminate duplicates Z: 54 36.268 2.116 0.578 0.516 0.943 0.528 CA 1.557 54 residues pruned to eliminate duplicates Z: 52 29.386 2.073 0.512 0.458 0.941 0.588 CB 1.456 53 residues pruned to eliminate duplicates Z: 39 41.005 2.237 0.652 0.647 0.974 0.789 CA 1.611 39 residues pruned to eliminate duplicates Z: 19 12.623 1.998 0.525 0.328 0.944 0.500 CA 1.249 19 residues pruned to eliminate duplicates Z: 24 25.268 2.159 0.585 0.575 0.957 0.609 CA 1.497 24 residues pruned to eliminate duplicates Z: 54 41.980 2.195 0.552 0.622 0.962 0.623 CA 1.567 54 residues pruned to eliminate duplicates Z: 54 38.674 2.197 0.473 0.585 0.925 0.472 CB 1.636 54 residues pruned to eliminate duplicates Z: 54 40.537 2.176 0.482 0.617 0.962 0.509 CA 1.606 54 residues pruned to eliminate duplicates Z: 61 48.701 2.219 0.639 0.579 0.967 0.583 CA 1.659 61 residues pruned to eliminate duplicates Z: 88 44.669 2.166 0.456 0.502 0.908 0.494 CA 1.670 88 residues pruned to eliminate duplicates Z: 44 38.577 2.198 0.483 0.649 0.953 0.628 CA 1.648 44 residues pruned to eliminate duplicates Z: 54 39.362 2.189 0.401 0.627 0.962 0.585 CA 1.625 54 residues pruned to eliminate duplicates Z: 61 43.559 2.226 0.488 0.578 0.950 0.617 CA 1.659 61 residues pruned to eliminate duplicates Z: 52 41.939 2.215 0.528 0.619 0.961 0.569 CA 1.614 52 residues pruned to eliminate duplicates Z: 39 41.889 2.252 0.676 0.618 0.974 0.526 CA 1.654 39 residues pruned to eliminate duplicates Z: 45 44.427 2.202 0.708 0.627 0.955 0.568 CA 1.656 45 residues pruned to eliminate duplicates Z: 65 49.113 2.202 0.684 0.542 0.969 0.578 CA 1.640 65 residues pruned to eliminate duplicates Z: 53 44.791 2.195 0.605 0.624 0.981 0.596 CA 1.600 53 residues pruned to eliminate duplicates Z: 37 42.495 2.250 0.786 0.653 0.972 0.556 CA 1.572 37 residues pruned to eliminate duplicates Z: 71 47.205 2.217 0.621 0.535 0.943 0.514 CA 1.609 71 residues pruned to eliminate duplicates Z: 52 46.200 2.216 0.625 0.606 0.980 0.529 CA 1.657 52 residues pruned to eliminate duplicates Z: 77 43.607 2.197 0.554 0.514 0.895 0.526 CA 1.614 77 residues pruned to eliminate duplicates Z: 52 33.286 2.159 0.561 0.570 0.824 0.471 CA 1.569 52 residues pruned to eliminate duplicates Z: 43 44.625 2.262 0.609 0.668 0.976 0.667 CA 1.659 43 residues pruned to eliminate duplicates Z: 50 48.533 2.246 0.671 0.640 0.980 0.531 CA 1.654 50 residues pruned to eliminate duplicates Z: 71 40.240 2.198 0.519 0.516 0.871 0.471 CA 1.628 71 residues pruned to eliminate duplicates Z: 66 38.963 2.198 0.488 0.534 0.862 0.462 CA 1.658 66 residues pruned to eliminate duplicates Z: 51 38.909 2.187 0.621 0.606 0.860 0.420 CB 1.632 51 residues pruned to eliminate duplicates Z: 41 32.091 2.184 0.529 0.592 0.900 0.525 CA 1.546 41 residues pruned to eliminate duplicates Z: 39 39.539 2.237 0.647 0.625 1.000 0.474 CA 1.547 39 residues pruned to eliminate duplicates Z: 44 39.467 2.223 0.565 0.647 0.953 0.558 CA 1.582 44 residues pruned to eliminate duplicates Z: 52 42.482 2.194 0.631 0.585 0.961 0.510 CA 1.595 52 residues pruned to eliminate duplicates Z: 74 44.304 2.224 0.580 0.519 0.904 0.534 CA 1.602 74 residues pruned to eliminate duplicates Z: 53 41.969 2.202 0.614 0.616 0.923 0.462 CA 1.590 53 residues pruned to eliminate duplicates Z: 71 45.843 2.230 0.602 0.528 0.943 0.543 CA 1.582 71 residues pruned to eliminate duplicates Z: 54 42.285 2.191 0.603 0.598 0.962 0.528 CA 1.566 54 residues pruned to eliminate duplicates Z: 54 41.836 2.188 0.588 0.613 0.962 0.528 CA 1.544 54 residues pruned to eliminate duplicates Z: 53 40.879 2.189 0.536 0.604 0.981 0.558 CA 1.556 53 residues pruned to eliminate duplicates Z: 73 41.432 2.169 0.608 0.495 0.917 0.500 CA 1.536 73 residues pruned to eliminate duplicates Z: 54 41.134 2.188 0.664 0.587 0.925 0.547 CA 1.545 54 residues pruned to eliminate duplicates Z: 15 11.172 2.025 0.348 0.497 0.929 0.500 CB 1.182 15 residues pruned to eliminate duplicates Z: 72 48.849 2.243 0.664 0.531 0.915 0.507 CA 1.646 72 residues pruned to eliminate duplicates Z: 63 46.736 2.206 0.666 0.550 0.935 0.500 CA 1.643 63 residues pruned to eliminate duplicates Z: 63 40.670 2.225 0.584 0.524 0.903 0.452 CA 1.585 63 residues pruned to eliminate duplicates Z: 74 48.332 2.208 0.625 0.509 0.945 0.438 CA 1.653 74 residues pruned to eliminate duplicates Z: 73 37.863 2.115 0.421 0.516 0.875 0.569 CB 1.670 73 residues pruned to eliminate duplicates Z: 71 49.371 2.216 0.637 0.529 0.957 0.514 CA 1.653 71 residues pruned to eliminate duplicates Z: 71 51.389 2.238 0.654 0.543 0.957 0.571 CA 1.662 71 residues pruned to eliminate duplicates Z: 87 44.974 2.175 0.585 0.499 0.837 0.465 CA 1.682 87 residues pruned to eliminate duplicates Z: 71 45.667 2.223 0.542 0.549 0.929 0.543 CA 1.634 71 residues pruned to eliminate duplicates Z: 79 48.001 2.203 0.585 0.514 0.936 0.397 CA 1.639 79 residues pruned to eliminate duplicates Z: 73 39.987 2.219 0.511 0.500 0.875 0.486 CA 1.606 73 residues pruned to eliminate duplicates Z: 25 17.326 2.090 0.557 0.310 0.917 0.458 CA 1.465 25 residues pruned to eliminate duplicates Z: 97 48.490 2.200 0.424 0.545 0.917 0.490 CA 1.649 97 residues pruned to eliminate duplicates Z: 87 49.318 2.195 0.569 0.506 0.907 0.488 CA 1.693 87 residues pruned to eliminate duplicates Z: 60 45.880 2.224 0.682 0.562 0.949 0.508 CA 1.584 60 residues pruned to eliminate duplicates Z: 21 20.508 2.204 0.597 0.393 0.950 0.650 CA 1.536 21 residues pruned to eliminate duplicates Z: 89 47.239 2.164 0.556 0.492 0.920 0.477 CA 1.638 89 residues pruned to eliminate duplicates Z: 71 40.718 2.197 0.647 0.490 0.857 0.514 CA 1.584 71 residues pruned to eliminate duplicates Z: 72 47.650 2.204 0.610 0.523 0.930 0.437 CA 1.676 72 residues pruned to eliminate duplicates Z: 59 29.513 2.082 0.399 0.512 0.828 0.483 CB 1.588 59 residues pruned to eliminate duplicates Z: 88 49.192 2.192 0.547 0.496 0.920 0.517 CA 1.698 88 residues pruned to eliminate duplicates Z: 86 45.841 2.219 0.501 0.503 0.929 0.471 CA 1.601 86 residues pruned to eliminate duplicates Z: 72 46.695 2.239 0.631 0.501 0.915 0.451 CA 1.656 72 residues pruned to eliminate duplicates Z: 87 46.036 2.176 0.629 0.493 0.895 0.453 CA 1.576 87 residues pruned to eliminate duplicates Z: 101 52.105 2.183 0.557 0.545 0.910 0.520 CA 1.613 101 residues pruned to eliminate duplicates Z: 87 48.458 2.196 0.611 0.512 0.919 0.500 CA 1.589 87 residues pruned to eliminate duplicates Z: 72 43.135 2.247 0.483 0.515 0.930 0.479 CA 1.628 72 residues pruned to eliminate duplicates Z: 37 20.475 2.156 0.348 0.339 0.889 0.528 CA 1.575 37 residues pruned to eliminate duplicates Z: 87 43.738 2.135 0.506 0.483 0.907 0.419 CA 1.646 87 residues pruned to eliminate duplicates Z: 37 19.088 2.155 0.252 0.362 0.833 0.528 CA 1.641 37 residues pruned to eliminate duplicates Z: 103 52.027 2.163 0.520 0.550 0.922 0.510 CA 1.619 103 residues pruned to eliminate duplicates Z: 16 14.533 2.019 0.145 0.588 0.933 0.667 N 1.599 16 residues pruned to eliminate duplicates Z: 17 14.371 1.924 0.398 0.488 0.938 0.625 N 1.441 17 residues pruned to eliminate duplicates Z: 41 27.940 2.144 0.340 0.552 0.875 0.600 CA 1.670 41 residues pruned to eliminate duplicates Z: 36 20.837 2.029 0.280 0.609 0.829 0.629 CB 1.477 36 residues pruned to eliminate duplicates Z: 89 45.472 2.144 0.569 0.512 0.886 0.489 CA 1.607 89 residues pruned to eliminate duplicates Z: 16 15.435 2.093 0.314 0.550 0.867 0.800 N 1.593 16 residues pruned to eliminate duplicates Z: 30 17.159 1.975 0.191 0.608 0.828 0.586 CB 1.477 30 residues pruned to eliminate duplicates Z: 88 48.577 2.193 0.554 0.515 0.897 0.517 CA 1.680 88 residues pruned to eliminate duplicates Z: 36 24.561 2.072 0.321 0.612 0.857 0.600 CB 1.592 36 residues pruned to eliminate duplicates Z: 32 17.765 2.062 0.138 0.590 0.871 0.613 CB 1.433 32 residues pruned to eliminate duplicates Z: 29 24.326 2.097 0.213 0.719 0.929 0.750 CB 1.596 29 residues pruned to eliminate duplicates Z: 27 27.100 2.121 0.320 0.668 0.962 0.615 CB 1.691 27 residues pruned to eliminate duplicates Z: 27 28.946 2.115 0.476 0.704 0.885 0.692 CB 1.707 27 residues pruned to eliminate duplicates Z: 27 16.730 1.981 0.261 0.709 0.808 0.731 CB 1.346 27 residues pruned to eliminate duplicates Z: 133 49.783 2.126 0.437 0.520 0.871 0.500 CA 1.596 133 residues pruned to eliminate duplicates Z: 113 50.162 2.129 0.562 0.526 0.929 0.527 CB 1.496 113 residues pruned to eliminate duplicates Z: 99 55.311 2.207 0.558 0.566 0.908 0.541 CA 1.678 99 residues pruned to eliminate duplicates Z: 32 21.867 2.054 0.404 0.575 0.871 0.645 CA 1.454 32 residues pruned to eliminate duplicates Z: 22 25.814 2.199 0.543 0.669 0.905 0.762 CA 1.570 22 residues pruned to eliminate duplicates Z: 22 21.430 2.081 0.545 0.695 0.810 0.524 CB 1.503 22 residues pruned to eliminate duplicates Z: 36 29.506 2.051 0.498 0.627 0.943 0.514 CB 1.527 36 residues pruned to eliminate duplicates Z: 29 25.676 2.070 0.504 0.644 0.929 0.500 CB 1.467 29 residues pruned to eliminate duplicates Z: 35 30.062 2.125 0.450 0.629 0.882 0.647 CB 1.680 35 residues pruned to eliminate duplicates Z: 55 23.932 2.013 0.399 0.535 0.815 0.500 CB 1.372 55 residues pruned to eliminate duplicates Z: 28 24.904 2.068 0.486 0.670 0.926 0.593 CB 1.440 28 residues pruned to eliminate duplicates Z: 32 31.606 2.034 0.640 0.687 0.968 0.645 CB 1.481 32 residues pruned to eliminate duplicates Z: 39 30.817 2.045 0.562 0.611 0.895 0.421 CB 1.574 39 residues pruned to eliminate duplicates Z: 40 21.166 2.080 0.428 0.567 0.795 0.513 CB 1.345 40 residues pruned to eliminate duplicates Z: 12 7.227 1.932 0.085 0.473 0.818 0.364 CB 1.306 12 residues pruned to eliminate duplicates Z: 58 23.014 2.010 0.387 0.476 0.825 0.421 CB 1.359 57 residues pruned to eliminate duplicates Z: 6 2.990 1.863 0.015 0.289 0.600 0.400 CB 1.495 6 residues pruned to eliminate duplicates Z: 20 11.129 1.948 0.366 0.446 0.789 0.211 CB 1.284 20 residues pruned to eliminate duplicates Z: 24 10.882 2.024 0.201 0.386 0.783 0.391 CB 1.346 24 residues pruned to eliminate duplicates Z: 26 13.169 1.912 0.347 0.394 0.840 0.440 CB 1.362 26 residues pruned to eliminate duplicates Z: 27 10.472 2.002 0.236 0.353 0.769 0.385 CB 1.265 27 residues pruned to eliminate duplicates Z: 24 10.212 1.940 0.361 0.356 0.826 0.565 CB 1.140 24 residues pruned to eliminate duplicates Z: 15 10.537 2.065 0.285 0.460 0.929 0.643 CB 1.190 15 residues pruned to eliminate duplicates Z: 16 10.469 2.051 0.235 0.466 0.867 0.533 CB 1.273 16 residues pruned to eliminate duplicates Z: 20 10.462 2.047 0.046 0.476 0.947 0.579 CB 1.213 20 residues pruned to eliminate duplicates Z: 33 13.118 2.006 0.146 0.375 0.844 0.500 CB 1.365 33 residues pruned to eliminate duplicates Z: 24 11.125 2.044 0.335 0.388 0.783 0.435 CB 1.223 24 residues pruned to eliminate duplicates Z: 15 12.452 2.080 0.302 0.470 1.000 0.571 CB 1.268 15 residues pruned to eliminate duplicates Z: 33 12.304 1.944 0.249 0.414 0.781 0.406 CB 1.254 33 residues pruned to eliminate duplicates Z: 17 12.202 2.055 0.420 0.475 0.875 0.562 CB 1.225 17 residues pruned to eliminate duplicates Z: 8 8.534 2.021 0.241 0.517 1.000 0.714 CB 1.265 8 residues pruned to eliminate duplicates Z: 9 7.348 1.942 0.309 0.533 1.000 0.625 CB 0.989 9 residues pruned to eliminate duplicates Z: 8 7.068 2.023 0.127 0.411 1.000 0.429 CB 1.286 8 residues pruned to eliminate duplicates Z: 12 6.062 1.814 0.187 0.401 0.727 0.455 CB 1.296 12 residues pruned to eliminate duplicates Z: 17 13.337 2.048 0.313 0.512 0.938 0.562 CB 1.308 17 residues pruned to eliminate duplicates Z: 22 13.041 2.003 0.329 0.480 0.905 0.524 CB 1.205 22 residues pruned to eliminate duplicates Z: 25 10.935 1.923 0.089 0.367 0.875 0.250 CA 1.405 28 residues pruned to eliminate duplicates Z: 6 5.234 1.475 0.538 0.481 1.000 0.400 O 1.052 6 residues pruned to eliminate duplicates Z: 6 2.275 1.995 -0.175 0.254 0.600 0.000 CA 1.367 6 residues pruned to eliminate duplicates Z: 6 2.887 1.922 -0.082 0.200 0.800 0.000 CA 1.307 6 residues pruned to eliminate duplicates Z: 11 3.943 1.863 0.031 0.155 0.700 0.500 CA 1.415 11 residues pruned to eliminate duplicates Z: 13 8.029 1.934 0.415 0.401 0.833 0.417 CA 1.128 13 residues pruned to eliminate duplicates Z: 29 15.168 2.070 0.433 0.338 0.786 0.464 CA 1.468 29 residues pruned to eliminate duplicates Z: 20 9.849 1.952 0.344 0.249 0.842 0.421 CA 1.366 20 residues pruned to eliminate duplicates Z: 8 3.546 1.858 -0.124 0.396 0.714 0.286 CA 1.287 8 residues pruned to eliminate duplicates Z: 44 26.832 2.103 0.336 0.466 0.907 0.535 CA 1.663 44 residues pruned to eliminate duplicates Z: 22 8.737 1.728 0.292 0.256 0.810 0.333 CB 1.395 22 residues pruned to eliminate duplicates Z: 9 6.722 1.916 -0.007 0.458 0.875 0.250 CA 1.491 9 residues pruned to eliminate duplicates Z: 19 7.512 1.822 0.430 0.183 0.722 0.333 CA 1.378 19 residues pruned to eliminate duplicates Z: 42 23.357 1.951 0.575 0.367 0.902 0.341 CA 1.517 42 residues pruned to eliminate duplicates Z: 32 13.140 1.926 0.475 0.276 0.839 0.419 CA 1.276 32 residues pruned to eliminate duplicates Z: 59 30.540 1.975 0.547 0.465 0.897 0.500 CA 1.518 59 residues pruned to eliminate duplicates Z: 56 32.857 2.055 0.421 0.529 0.927 0.618 CA 1.590 56 residues pruned to eliminate duplicates Z: 40 29.426 2.066 0.647 0.418 0.949 0.615 CA 1.590 40 residues pruned to eliminate duplicates Z: 54 32.763 2.069 0.391 0.551 0.906 0.623 CA 1.643 54 residues pruned to eliminate duplicates Z: 28 18.444 2.024 0.617 0.340 0.852 0.519 CA 1.517 28 residues pruned to eliminate duplicates Z: 18 18.704 2.132 0.611 0.348 1.000 0.529 CA 1.557 18 residues pruned to eliminate duplicates Z: 22 16.908 2.066 0.582 0.357 0.857 0.524 CA 1.537 22 residues pruned to eliminate duplicates Z: 34 20.415 2.068 0.552 0.355 0.879 0.576 CA 1.474 34 residues pruned to eliminate duplicates Z: 19 11.861 1.967 0.459 0.354 0.833 0.556 CA 1.370 19 residues pruned to eliminate duplicates Z: 18 15.687 1.978 0.774 0.464 0.824 0.647 CA 1.366 18 residues pruned to eliminate duplicates Z: 27 15.182 2.074 0.412 0.428 0.769 0.538 CA 1.425 27 residues pruned to eliminate duplicates Z: 18 16.714 1.995 0.735 0.458 0.824 0.588 CA 1.485 18 residues pruned to eliminate duplicates Z: 35 27.186 2.107 0.389 0.534 0.941 0.735 CA 1.637 35 residues pruned to eliminate duplicates Z: 25 13.580 1.956 0.407 0.356 0.875 0.333 CA 1.346 25 residues pruned to eliminate duplicates Z: 16 10.149 1.776 0.428 0.324 1.000 0.467 CA 1.253 16 residues pruned to eliminate duplicates Z: 28 23.410 2.069 0.360 0.647 0.889 0.667 CA 1.571 28 residues pruned to eliminate duplicates Z: 64 32.124 1.980 0.570 0.506 0.905 0.651 CA 1.430 64 residues pruned to eliminate duplicates Z: 8 5.679 1.481 0.162 0.603 1.000 0.571 CA 1.131 8 residues pruned to eliminate duplicates Z: 12 14.025 2.004 0.512 0.578 0.818 0.636 N 1.583 12 residues pruned to eliminate duplicates Z: 19 13.313 1.982 0.454 0.472 0.833 0.611 CB 1.345 19 residues pruned to eliminate duplicates Z: 37 22.405 2.008 0.264 0.633 0.917 0.639 CA 1.417 37 residues pruned to eliminate duplicates Z: 30 17.633 1.992 0.492 0.422 0.862 0.621 CA 1.386 30 residues pruned to eliminate duplicates Z: 37 31.906 2.053 0.420 0.677 0.944 0.722 CB 1.641 37 residues pruned to eliminate duplicates Z: 30 25.699 2.075 0.412 0.632 0.897 0.724 CA 1.604 30 residues pruned to eliminate duplicates Z: 49 28.921 1.951 0.493 0.543 0.938 0.604 CA 1.466 49 residues pruned to eliminate duplicates Z: 36 28.268 2.028 0.490 0.660 0.943 0.657 CA 1.446 36 residues pruned to eliminate duplicates Z: 27 18.002 2.058 0.440 0.468 0.808 0.615 CA 1.524 27 residues pruned to eliminate duplicates Z: 49 35.998 2.057 0.457 0.601 0.979 0.688 CA 1.608 49 residues pruned to eliminate duplicates Z: 55 34.779 2.021 0.588 0.522 0.907 0.593 CA 1.590 55 residues pruned to eliminate duplicates Z: 31 25.585 2.018 0.563 0.582 0.933 0.633 CB 1.467 31 residues pruned to eliminate duplicates Z: 56 33.858 2.041 0.572 0.545 0.891 0.655 CA 1.528 56 residues pruned to eliminate duplicates Z: 23 23.873 1.993 0.282 0.827 0.955 0.773 CB 1.572 23 residues pruned to eliminate duplicates Z: 34 30.905 2.079 0.637 0.579 0.909 0.606 CA 1.613 34 residues pruned to eliminate duplicates Z: 41 33.546 2.042 0.592 0.633 0.900 0.625 CA 1.600 41 residues pruned to eliminate duplicates Z: 19 24.338 2.068 0.555 0.756 0.889 0.500 CB 1.598 19 residues pruned to eliminate duplicates Z: 40 30.298 2.024 0.539 0.635 0.872 0.615 CB 1.574 40 residues pruned to eliminate duplicates Z: 40 33.436 2.025 0.675 0.653 0.923 0.615 CB 1.483 40 residues pruned to eliminate duplicates Z: 30 34.106 2.095 0.810 0.647 0.897 0.586 CB 1.623 30 residues pruned to eliminate duplicates Z: 36 32.654 2.014 0.695 0.670 0.914 0.486 CB 1.511 43 residues pruned to eliminate duplicates Z: 23 34.750 2.009 0.843 0.844 0.909 0.500 CB 1.638 23 residues pruned to eliminate duplicates Z: 20 32.562 2.036 0.843 0.835 0.895 0.579 CB 1.666 22 residues pruned to eliminate duplicates Z: 22 38.009 2.130 0.855 0.920 0.905 0.524 CB 1.634 22 residues pruned to eliminate duplicates Z: 36 30.684 2.009 0.694 0.686 0.857 0.486 CB 1.499 36 residues pruned to eliminate duplicates Z: 26 31.059 2.068 0.673 0.784 0.920 0.440 CB 1.520 26 residues pruned to eliminate duplicates Z: 16 21.503 1.971 0.879 0.741 0.867 0.400 CA 1.393 16 residues pruned to eliminate duplicates Z: 40 23.068 1.969 0.561 0.582 0.744 0.410 CB 1.494 40 residues pruned to eliminate duplicates Z: 30 21.608 1.861 0.935 0.566 0.759 0.241 CB 1.378 21 residues pruned to eliminate duplicates Z: 6 3.663 1.380 0.807 0.396 0.800 0.200 C 0.916 6 residues pruned to eliminate duplicates Z: 7 3.358 1.639 0.725 0.327 0.667 0.333 CB 0.879 7 residues pruned to eliminate duplicates Z: 7 6.845 1.685 0.878 0.339 1.000 0.333 CB 1.053 7 residues pruned to eliminate duplicates Z: 14 7.315 1.756 0.623 0.335 0.615 0.231 CB 1.385 14 residues pruned to eliminate duplicates Z: 9 10.988 1.744 1.120 0.439 0.875 0.375 CA 1.279 9 residues pruned to eliminate duplicates Z: 9 7.721 1.798 0.816 0.444 0.750 0.125 CA 1.180 9 residues pruned to eliminate duplicates Z: 9 8.077 1.806 1.000 0.432 0.750 0.125 CB 1.131 9 residues pruned to eliminate duplicates Z: 20 13.626 2.042 0.338 0.462 0.737 0.474 CB 1.614 20 residues pruned to eliminate duplicates Z: 6 6.275 1.365 0.822 0.569 1.000 0.200 CB 1.055 6 residues pruned to eliminate duplicates Z: 6 7.501 1.941 0.372 0.586 0.800 0.600 CB 1.451 6 residues pruned to eliminate duplicates Z: 17 8.948 2.060 0.338 0.270 0.750 0.250 CB 1.406 17 residues pruned to eliminate duplicates Z: 8 11.491 1.877 0.506 0.658 1.000 0.714 CB 1.326 8 residues pruned to eliminate duplicates Z: 30 14.979 1.899 0.329 0.406 0.793 0.448 CA 1.533 37 residues pruned to eliminate duplicates Z: 6 2.274 1.588 0.293 0.184 0.800 0.200 CB 0.905 6 residues pruned to eliminate duplicates Z: 19 13.804 2.092 0.314 0.452 0.778 0.500 CA 1.598 19 residues pruned to eliminate duplicates Z: 20 15.468 2.015 0.428 0.472 0.789 0.526 CB 1.607 20 residues pruned to eliminate duplicates Z: 15 9.777 2.053 0.261 0.287 0.786 0.357 CB 1.632 15 residues pruned to eliminate duplicates Z: 23 17.668 1.978 0.453 0.501 0.864 0.545 CA 1.517 23 residues pruned to eliminate duplicates Z: 8 7.397 1.571 0.716 0.576 0.857 0.429 CA 1.123 8 residues pruned to eliminate duplicates Z: 15 9.434 1.993 0.402 0.348 0.714 0.286 CA 1.489 15 residues pruned to eliminate duplicates Z: 20 10.651 2.003 0.295 0.430 0.684 0.526 CA 1.480 20 residues pruned to eliminate duplicates Z: 22 14.541 2.059 0.247 0.511 0.810 0.571 CA 1.510 22 residues pruned to eliminate duplicates Z: 18 12.146 2.038 0.366 0.436 0.765 0.471 CA 1.479 18 residues pruned to eliminate duplicates Z: 18 16.189 2.103 0.362 0.489 0.882 0.647 CA 1.571 18 residues pruned to eliminate duplicates Z: 19 10.512 2.037 0.270 0.392 0.722 0.556 CA 1.488 19 residues pruned to eliminate duplicates Z: 17 16.543 2.117 0.412 0.455 0.875 0.625 CA 1.655 17 residues pruned to eliminate duplicates Z: 13 19.506 1.960 0.481 0.839 1.000 0.500 CA 1.449 14 residues pruned to eliminate duplicates Z: 13 19.422 1.893 0.674 0.741 0.917 0.500 CB 1.555 13 residues pruned to eliminate duplicates Z: 9 23.037 2.139 0.433 0.914 1.000 0.750 CB 1.880 9 residues pruned to eliminate duplicates Z: 10 14.908 2.126 0.512 0.778 0.889 0.444 CA 1.360 10 residues pruned to eliminate duplicates Z: 19 15.953 2.005 0.476 0.519 0.833 0.389 CA 1.497 19 residues pruned to eliminate duplicates Z: 11 23.410 2.047 0.759 0.878 1.000 0.600 CB 1.492 11 residues pruned to eliminate duplicates Z: 11 23.149 2.036 0.851 0.863 1.000 0.600 CB 1.426 11 residues pruned to eliminate duplicates Z: 11 19.578 2.200 0.614 0.718 0.800 0.500 CB 1.789 11 residues pruned to eliminate duplicates Z: 13 16.022 2.109 0.471 0.666 0.833 0.667 CA 1.535 13 residues pruned to eliminate duplicates Z: 13 22.672 2.120 0.796 0.652 0.917 0.417 CA 1.629 13 residues pruned to eliminate duplicates 566 residues left after pruning, divided into chains as follows: A: 17 B: 7 C: 8 D: 9 E: 8 F: 11 G: 17 H: 10 I: 47 J: 26 K: 86 L: 13 M: 16 N: 200 O: 36 P: 20 Q: 35 CC for partial structure against native data = 21.01 % ------------------------------------------------------------------------------ Global autotracing cycle 23 = 0.300, Contrast = 0.413, Connect. = 0.682 for dens.mod. cycle 1 = 0.300, Contrast = 0.475, Connect. = 0.704 for dens.mod. cycle 2 = 0.300, Contrast = 0.551, Connect. = 0.739 for dens.mod. cycle 3 = 0.300, Contrast = 0.556, Connect. = 0.743 for dens.mod. cycle 4 = 0.300, Contrast = 0.563, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.567, Connect. = 0.750 for dens.mod. cycle 6 = 0.300, Contrast = 0.571, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.573, Connect. = 0.755 for dens.mod. cycle 8 = 0.300, Contrast = 0.575, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.575, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6908 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1187 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 108 48.318 2.158 0.451 0.547 0.897 0.542 CA 1.588 B: 62 45.918 2.247 0.566 0.569 0.934 0.508 CA 1.672 74 residues pruned to eliminate duplicates C: 7 13.365 2.258 0.303 0.798 0.833 0.667 CA 1.715 D: 17 26.620 2.203 0.529 0.901 1.000 0.812 CB 1.410 17 residues pruned to eliminate duplicates E: 18 20.072 2.142 0.442 0.854 0.941 0.647 CB 1.238 18 residues pruned to eliminate duplicates F: 18 22.171 2.171 0.381 0.842 1.000 0.765 CB 1.337 18 residues pruned to eliminate duplicates G: 12 31.675 2.127 1.073 0.911 1.000 0.727 CB 1.535 H: 23 32.074 2.111 0.577 0.867 0.955 0.727 CB 1.575 23 residues pruned to eliminate duplicates I: 22 30.690 2.207 0.487 0.916 1.000 0.905 CA 1.441 22 residues pruned to eliminate duplicates J: 11 12.172 1.959 0.216 0.878 0.800 0.600 CB 1.465 8 residues pruned to eliminate duplicates K: 25 9.188 1.920 0.195 0.420 0.708 0.292 CB 1.254 L: 11 16.182 1.991 0.350 0.888 0.900 0.900 CB 1.525 10 residues pruned to eliminate duplicates M: 19 30.326 2.056 0.495 0.912 1.000 0.833 CA 1.647 N: 11 20.616 2.160 0.744 0.862 0.900 0.700 CB 1.411 11 residues pruned to eliminate duplicates O: 10 8.627 1.972 0.048 0.535 0.778 0.444 N 1.728 P: 6 4.117 1.806 0.144 0.459 0.800 0.800 CA 1.161 Q: 35 21.850 2.101 0.469 0.469 0.882 0.471 CA 1.420 R: 20 16.684 2.071 0.202 0.904 1.000 0.947 CA 1.095 S: 12 9.537 2.120 0.357 0.429 0.727 0.545 CB 1.480 T: 18 19.485 1.997 0.586 0.868 0.941 0.706 CA 1.159 17 residues pruned to eliminate duplicates U: 21 33.636 2.063 0.581 0.922 1.000 0.800 CB 1.621 19 residues pruned to eliminate duplicates V: 11 7.517 1.979 0.112 0.453 0.700 0.500 N 1.619 10 residues pruned to eliminate duplicates W: 21 39.455 2.230 0.802 0.916 0.950 0.300 CA 1.632 21 residues pruned to eliminate duplicates X: 17 18.055 2.152 0.449 0.830 0.875 0.688 CB 1.243 17 residues pruned to eliminate duplicates Y: 9 9.927 1.968 0.215 0.524 0.875 0.625 CA 1.639 11 residues pruned to eliminate duplicates Z: 11 18.936 1.966 0.623 0.870 0.900 0.600 CB 1.523 11 residues pruned to eliminate duplicates Z: 8 5.564 1.842 0.062 0.553 0.714 0.571 CA 1.429 Z: 21 34.240 2.217 0.792 0.861 0.900 0.600 CA 1.573 21 residues pruned to eliminate duplicates Z: 51 45.023 2.238 0.637 0.655 0.920 0.480 CA 1.635 41 residues pruned to eliminate duplicates Z: 15 6.403 1.987 0.029 0.387 0.714 0.500 CB 1.320 Z: 15 23.225 2.205 0.585 0.901 0.929 0.643 CB 1.365 15 residues pruned to eliminate duplicates Z: 11 20.548 2.076 0.638 0.898 1.000 0.700 CB 1.367 11 residues pruned to eliminate duplicates Z: 22 31.045 2.161 0.470 0.887 1.000 0.857 CA 1.538 22 residues pruned to eliminate duplicates Z: 18 9.977 1.982 0.468 0.360 0.706 0.471 CB 1.370 15 residues pruned to eliminate duplicates Z: 11 14.814 1.834 0.522 0.868 1.000 0.800 CA 1.227 Z: 11 9.530 2.086 0.269 0.728 0.700 0.500 CB 1.324 11 residues pruned to eliminate duplicates Z: 17 18.318 2.077 0.331 0.886 1.000 0.938 CA 1.195 17 residues pruned to eliminate duplicates Z: 10 21.545 2.176 0.799 0.868 0.889 0.556 CB 1.509 10 residues pruned to eliminate duplicates Z: 41 28.022 2.200 0.326 0.513 0.875 0.625 CA 1.713 41 residues pruned to eliminate duplicates Z: 18 32.597 2.206 0.730 0.873 1.000 0.706 CB 1.508 25 residues pruned to eliminate duplicates Z: 13 22.621 1.958 0.942 0.881 0.917 0.833 CB 1.357 13 residues pruned to eliminate duplicates Z: 11 26.238 2.180 0.778 0.913 1.000 0.800 CA 1.515 11 residues pruned to eliminate duplicates Z: 17 23.313 2.187 0.456 0.865 0.875 0.250 CA 1.533 17 residues pruned to eliminate duplicates Z: 18 21.049 2.135 0.275 0.895 1.000 0.824 CB 1.344 18 residues pruned to eliminate duplicates Z: 19 16.529 2.025 0.208 0.828 0.944 0.889 CB 1.271 19 residues pruned to eliminate duplicates Z: 75 43.126 2.206 0.620 0.500 0.892 0.486 CA 1.572 75 residues pruned to eliminate duplicates Z: 22 33.853 2.155 0.956 0.888 0.810 0.286 CB 1.561 22 residues pruned to eliminate duplicates Z: 21 23.562 2.060 0.347 0.899 1.000 0.700 CA 1.358 21 residues pruned to eliminate duplicates Z: 10 12.980 1.933 0.638 0.561 0.889 0.556 N 1.449 Z: 10 16.920 2.062 0.416 0.902 0.889 0.667 CA 1.551 10 residues pruned to eliminate duplicates Z: 63 42.561 2.209 0.676 0.568 0.887 0.484 CA 1.541 63 residues pruned to eliminate duplicates Z: 29 17.889 1.968 0.394 0.380 0.929 0.464 CA 1.507 24 residues pruned to eliminate duplicates Z: 43 26.331 2.091 0.442 0.478 0.857 0.548 CA 1.608 25 residues pruned to eliminate duplicates Z: 17 21.900 2.190 0.316 0.861 1.000 0.688 CB 1.396 17 residues pruned to eliminate duplicates Z: 23 28.267 1.982 0.545 0.897 1.000 0.818 CA 1.409 22 residues pruned to eliminate duplicates Z: 8 10.893 1.828 0.686 0.563 1.000 0.571 N 1.256 Z: 13 17.710 2.038 0.784 0.868 0.750 0.417 N 1.371 13 residues pruned to eliminate duplicates Z: 23 32.887 2.091 0.491 0.884 1.000 0.545 CA 1.625 22 residues pruned to eliminate duplicates Z: 28 19.890 2.223 0.369 0.354 0.889 0.481 CA 1.658 28 residues pruned to eliminate duplicates Z: 21 36.198 2.178 0.812 0.894 1.000 0.750 CA 1.472 21 residues pruned to eliminate duplicates Z: 22 43.711 2.213 0.854 0.933 1.000 0.571 CA 1.622 22 residues pruned to eliminate duplicates Z: 23 29.167 2.066 0.534 0.833 0.909 0.636 CA 1.619 23 residues pruned to eliminate duplicates Z: 21 31.901 2.154 0.593 0.877 0.950 0.600 CA 1.590 21 residues pruned to eliminate duplicates Z: 12 14.914 1.821 0.601 0.827 0.909 0.455 CB 1.279 12 residues pruned to eliminate duplicates Z: 18 16.214 1.979 0.828 0.447 0.824 0.588 CA 1.393 Z: 22 36.256 2.087 0.614 0.893 1.000 0.714 CA 1.686 23 residues pruned to eliminate duplicates Z: 13 10.236 2.176 0.008 0.847 0.750 0.500 CB 1.333 13 residues pruned to eliminate duplicates Z: 19 15.222 1.928 0.654 0.491 0.833 0.667 CA 1.362 17 residues pruned to eliminate duplicates Z: 19 11.088 1.992 0.417 0.408 0.722 0.556 CA 1.411 19 residues pruned to eliminate duplicates Z: 39 27.147 2.034 0.572 0.562 0.947 0.526 CA 1.369 20 residues pruned to eliminate duplicates Z: 11 30.252 2.237 0.874 0.913 1.000 0.800 CB 1.614 11 residues pruned to eliminate duplicates Z: 22 33.562 2.072 0.553 0.933 1.000 0.952 CB 1.588 23 residues pruned to eliminate duplicates Z: 10 19.353 1.921 0.850 0.817 1.000 0.667 CA 1.378 10 residues pruned to eliminate duplicates Z: 8 19.386 2.187 0.508 0.873 1.000 0.714 CB 1.618 8 residues pruned to eliminate duplicates Z: 43 21.603 2.052 0.423 0.454 0.810 0.548 CB 1.479 35 residues pruned to eliminate duplicates Z: 69 44.685 2.208 0.637 0.530 0.926 0.559 CA 1.571 69 residues pruned to eliminate duplicates Z: 17 21.534 2.132 0.459 0.852 0.938 0.562 CA 1.366 17 residues pruned to eliminate duplicates Z: 21 11.650 1.890 0.448 0.449 0.850 0.550 CB 1.180 25 residues pruned to eliminate duplicates Z: 24 17.359 2.125 0.052 0.698 0.870 0.739 CB 1.554 24 residues pruned to eliminate duplicates Z: 12 13.619 1.905 0.403 0.836 0.818 0.455 CB 1.407 12 residues pruned to eliminate duplicates Z: 21 39.300 2.247 0.845 0.914 0.950 0.600 CA 1.577 21 residues pruned to eliminate duplicates Z: 20 10.568 1.804 0.404 0.392 0.789 0.579 CB 1.359 14 residues pruned to eliminate duplicates Z: 30 13.155 1.915 0.272 0.309 0.793 0.448 CB 1.562 Z: 7 7.807 1.839 0.388 0.511 0.833 0.667 CA 1.483 Z: 16 27.189 2.114 0.876 0.846 0.867 0.600 CA 1.517 16 residues pruned to eliminate duplicates Z: 12 14.744 1.747 0.697 0.673 1.000 0.455 CA 1.279 12 residues pruned to eliminate duplicates Z: 10 9.129 1.934 0.186 0.618 0.889 0.556 CB 1.334 Z: 39 19.734 2.117 0.365 0.453 0.816 0.579 CB 1.425 39 residues pruned to eliminate duplicates Z: 20 35.926 2.238 0.647 0.918 1.000 0.789 CA 1.577 20 residues pruned to eliminate duplicates Z: 20 31.321 2.241 0.561 0.883 0.947 0.632 CA 1.568 20 residues pruned to eliminate duplicates Z: 12 10.337 2.024 0.316 0.393 0.909 0.727 CB 1.441 10 residues pruned to eliminate duplicates Z: 21 41.346 2.079 0.921 0.904 0.900 0.500 CB 1.832 21 residues pruned to eliminate duplicates Z: 22 44.054 2.249 0.871 0.932 1.000 0.524 CA 1.596 22 residues pruned to eliminate duplicates Z: 25 24.594 1.915 0.321 0.871 1.000 0.833 CA 1.447 25 residues pruned to eliminate duplicates Z: 21 14.592 1.987 0.377 0.435 0.950 0.600 CA 1.343 7 residues pruned to eliminate duplicates Z: 9 9.605 2.043 0.356 0.613 1.000 0.750 CB 1.101 10 residues pruned to eliminate duplicates Z: 15 10.102 1.806 0.475 0.431 0.857 0.571 CA 1.270 20 residues pruned to eliminate duplicates Z: 15 14.833 2.009 0.597 0.495 0.786 0.643 CB 1.581 15 residues pruned to eliminate duplicates Z: 7 5.411 1.704 0.249 0.620 0.667 0.500 N 1.389 6 residues pruned to eliminate duplicates Z: 24 19.532 2.041 0.540 0.518 0.826 0.565 CA 1.541 22 residues pruned to eliminate duplicates Z: 13 7.507 1.871 0.405 0.367 0.667 0.333 CA 1.427 7 residues pruned to eliminate duplicates Z: 6 3.825 1.531 0.487 0.401 0.800 0.400 CA 1.042 Z: 86 48.775 2.211 0.543 0.524 0.918 0.576 CA 1.651 86 residues pruned to eliminate duplicates Z: 15 11.010 2.064 0.311 0.454 0.714 0.429 CA 1.595 13 residues pruned to eliminate duplicates Z: 11 3.018 1.651 0.354 0.300 0.700 0.300 N 0.763 11 residues pruned to eliminate duplicates Z: 20 24.705 2.026 0.718 0.900 0.947 0.421 CA 1.228 20 residues pruned to eliminate duplicates Z: 30 12.788 1.961 0.462 0.262 0.724 0.448 CA 1.501 31 residues pruned to eliminate duplicates Z: 22 33.681 2.078 0.766 0.911 1.000 0.619 CA 1.419 22 residues pruned to eliminate duplicates Z: 14 8.508 1.910 0.351 0.397 0.769 0.462 CB 1.326 14 residues pruned to eliminate duplicates Z: 21 36.557 2.247 0.620 0.906 0.950 0.500 CA 1.681 21 residues pruned to eliminate duplicates Z: 17 25.590 2.083 0.652 0.893 0.812 0.500 CA 1.643 17 residues pruned to eliminate duplicates Z: 22 8.662 1.929 0.403 0.243 0.667 0.381 CB 1.409 22 residues pruned to eliminate duplicates Z: 16 12.191 1.905 0.306 0.447 0.933 0.667 CA 1.432 7 residues pruned to eliminate duplicates Z: 73 44.506 2.212 0.528 0.525 0.944 0.486 CA 1.603 73 residues pruned to eliminate duplicates Z: 8 4.035 1.636 0.187 0.490 1.000 0.571 CA 0.793 8 residues pruned to eliminate duplicates Z: 11 8.575 1.952 0.583 0.549 0.900 0.700 CB 0.930 Z: 11 6.978 1.794 -0.018 0.423 1.000 0.500 CA 1.357 11 residues pruned to eliminate duplicates Z: 9 16.023 1.958 0.797 0.676 0.875 0.875 CB 1.565 10 residues pruned to eliminate duplicates Z: 22 29.234 2.126 0.464 0.930 1.000 0.905 CA 1.434 22 residues pruned to eliminate duplicates Z: 7 2.930 1.833 0.284 0.717 0.833 0.500 CB 0.501 Z: 29 12.518 1.973 0.289 0.345 0.786 0.500 CB 1.401 49 residues pruned to eliminate duplicates Z: 71 44.143 2.199 0.668 0.518 0.886 0.457 CA 1.595 71 residues pruned to eliminate duplicates Z: 42 22.657 2.110 0.393 0.434 0.878 0.512 CB 1.468 42 residues pruned to eliminate duplicates Z: 53 42.245 2.209 0.628 0.616 0.885 0.558 CA 1.649 53 residues pruned to eliminate duplicates Z: 6 2.576 1.861 0.119 0.483 0.600 0.400 CA 0.939 Z: 36 16.913 2.075 0.236 0.392 0.857 0.457 CA 1.458 36 residues pruned to eliminate duplicates Z: 15 5.989 1.728 0.239 0.469 0.786 0.500 CB 0.982 11 residues pruned to eliminate duplicates Z: 6 7.687 2.100 -0.110 0.802 0.800 0.800 CB 1.765 Z: 21 39.003 2.268 0.761 0.907 0.900 0.500 CA 1.724 21 residues pruned to eliminate duplicates Z: 6 3.526 1.417 0.411 0.790 0.800 0.600 CA 0.764 Z: 21 35.796 2.228 0.744 0.910 0.900 0.650 CA 1.623 21 residues pruned to eliminate duplicates Z: 6 10.884 1.857 1.585 0.539 0.800 0.800 CA 1.220 6 residues pruned to eliminate duplicates Z: 10 11.775 2.073 0.567 0.779 1.000 0.667 CB 0.945 10 residues pruned to eliminate duplicates Z: 57 39.558 2.172 0.495 0.594 0.929 0.536 CA 1.603 57 residues pruned to eliminate duplicates Z: 38 27.350 2.122 0.468 0.492 0.973 0.622 CA 1.496 43 residues pruned to eliminate duplicates Z: 9 2.774 1.615 0.561 0.186 0.750 0.500 CB 0.756 9 residues pruned to eliminate duplicates Z: 43 29.494 2.002 0.482 0.566 0.929 0.571 CA 1.550 40 residues pruned to eliminate duplicates Z: 6 7.467 2.041 0.020 0.487 1.000 0.400 CB 1.626 6 residues pruned to eliminate duplicates Z: 22 37.568 2.203 0.770 0.888 0.905 0.476 CA 1.674 22 residues pruned to eliminate duplicates Z: 21 41.259 2.274 0.884 0.910 0.950 0.600 CA 1.607 21 residues pruned to eliminate duplicates Z: 8 6.563 1.676 0.468 0.460 0.857 0.286 CA 1.225 5 residues pruned to eliminate duplicates Z: 7 4.825 1.848 0.571 0.707 0.667 0.667 CB 0.842 7 residues pruned to eliminate duplicates Z: 8 2.700 1.645 0.159 0.334 0.571 0.429 CB 1.123 Z: 35 15.980 2.061 0.251 0.446 0.765 0.471 CA 1.469 35 residues pruned to eliminate duplicates Z: 18 25.711 2.097 0.600 0.884 1.000 0.706 CA 1.342 18 residues pruned to eliminate duplicates Z: 14 10.236 1.945 0.312 0.371 0.923 0.538 CB 1.384 14 residues pruned to eliminate duplicates Z: 6 3.323 1.628 0.577 0.295 0.800 0.400 N 0.910 6 residues pruned to eliminate duplicates Z: 38 29.406 2.089 0.500 0.597 0.946 0.676 CA 1.487 36 residues pruned to eliminate duplicates Z: 37 27.901 2.171 0.451 0.514 0.944 0.639 CA 1.541 43 residues pruned to eliminate duplicates Z: 24 15.847 2.091 0.298 0.531 0.826 0.522 CA 1.429 24 residues pruned to eliminate duplicates Z: 24 12.527 1.906 0.264 0.490 0.913 0.652 CB 1.199 26 residues pruned to eliminate duplicates Z: 53 39.015 2.199 0.481 0.607 0.962 0.635 CA 1.560 53 residues pruned to eliminate duplicates Z: 31 19.214 1.990 0.464 0.433 0.900 0.600 CB 1.434 24 residues pruned to eliminate duplicates Z: 11 15.757 2.009 0.328 0.860 1.000 0.800 CB 1.373 11 residues pruned to eliminate duplicates Z: 16 10.423 1.852 0.304 0.316 1.000 0.333 CA 1.365 16 residues pruned to eliminate duplicates Z: 41 26.164 2.028 0.553 0.469 0.900 0.575 CA 1.507 41 residues pruned to eliminate duplicates Z: 28 16.001 1.915 0.512 0.453 0.889 0.407 CA 1.256 28 residues pruned to eliminate duplicates Z: 24 18.765 2.034 0.463 0.372 0.913 0.565 CA 1.652 30 residues pruned to eliminate duplicates Z: 14 10.196 1.917 0.348 0.446 0.923 0.769 CB 1.253 Z: 61 47.199 2.193 0.708 0.563 0.933 0.550 CA 1.640 61 residues pruned to eliminate duplicates Z: 8 7.122 1.790 0.219 0.583 0.857 0.714 N 1.329 4 residues pruned to eliminate duplicates Z: 11 8.147 1.722 0.355 0.704 0.900 0.600 CB 1.019 Z: 22 42.898 2.190 0.772 0.934 1.000 0.762 CB 1.682 22 residues pruned to eliminate duplicates Z: 27 19.278 2.028 0.610 0.407 0.846 0.462 CB 1.508 25 residues pruned to eliminate duplicates Z: 12 19.087 1.987 0.812 0.815 0.727 0.545 CB 1.672 12 residues pruned to eliminate duplicates Z: 11 9.854 1.842 0.602 0.472 1.000 1.000 CB 1.086 9 residues pruned to eliminate duplicates Z: 51 45.704 2.249 0.609 0.652 0.960 0.620 CA 1.614 51 residues pruned to eliminate duplicates Z: 10 24.194 1.945 1.100 0.879 1.000 0.667 CA 1.432 13 residues pruned to eliminate duplicates Z: 10 6.551 1.796 0.278 0.425 0.778 0.444 CB 1.322 11 residues pruned to eliminate duplicates Z: 17 23.631 2.111 0.557 0.852 0.938 0.750 CB 1.418 17 residues pruned to eliminate duplicates Z: 7 3.514 1.676 -0.107 0.491 0.833 0.667 CB 1.160 Z: 22 33.836 2.060 0.491 0.880 1.000 0.857 CA 1.742 22 residues pruned to eliminate duplicates Z: 13 11.768 2.043 0.507 0.442 0.833 0.583 CB 1.406 14 residues pruned to eliminate duplicates Z: 25 15.848 1.911 0.439 0.476 0.958 0.542 CA 1.258 25 residues pruned to eliminate duplicates Z: 21 40.120 2.236 0.913 0.906 0.950 0.700 CA 1.571 21 residues pruned to eliminate duplicates Z: 11 7.832 1.881 0.211 0.471 0.800 0.400 N 1.399 Z: 20 26.569 2.073 0.770 0.890 0.947 0.684 CA 1.262 20 residues pruned to eliminate duplicates Z: 6 2.287 1.415 -0.192 0.608 1.000 0.600 CB 0.807 Z: 36 23.335 2.142 0.414 0.442 0.886 0.543 CB 1.561 36 residues pruned to eliminate duplicates Z: 11 16.775 2.008 0.797 0.671 1.000 0.700 CA 1.256 11 residues pruned to eliminate duplicates Z: 7 6.345 1.536 0.077 0.755 1.000 0.833 N 1.248 7 residues pruned to eliminate duplicates Z: 61 40.431 2.112 0.680 0.587 0.917 0.650 CA 1.476 60 residues pruned to eliminate duplicates Z: 11 7.688 1.883 0.071 0.522 1.000 0.600 CB 1.179 10 residues pruned to eliminate duplicates Z: 39 31.593 2.114 0.553 0.563 0.895 0.605 CA 1.641 46 residues pruned to eliminate duplicates Z: 17 14.174 2.032 0.115 0.889 1.000 0.875 CA 1.126 17 residues pruned to eliminate duplicates Z: 41 39.715 2.038 0.731 0.651 0.950 0.575 CB 1.628 33 residues pruned to eliminate duplicates Z: 37 21.353 2.102 0.274 0.465 0.889 0.556 CA 1.549 37 residues pruned to eliminate duplicates Z: 13 15.826 1.945 0.541 0.725 0.917 0.583 CB 1.358 13 residues pruned to eliminate duplicates Z: 47 25.491 2.029 0.509 0.557 0.870 0.435 CB 1.336 37 residues pruned to eliminate duplicates Z: 12 12.143 2.027 0.099 0.838 1.000 0.727 CB 1.228 12 residues pruned to eliminate duplicates Z: 7 10.114 1.927 0.525 0.506 0.833 0.667 C 1.675 7 residues pruned to eliminate duplicates Z: 19 9.690 1.854 0.286 0.357 0.833 0.500 CB 1.342 Z: 42 21.858 2.065 0.453 0.407 0.854 0.585 CB 1.471 37 residues pruned to eliminate duplicates Z: 10 9.756 1.967 0.554 0.408 0.778 0.444 CB 1.506 10 residues pruned to eliminate duplicates Z: 26 17.143 1.971 0.418 0.428 0.840 0.440 CA 1.573 26 residues pruned to eliminate duplicates Z: 23 13.613 1.962 0.449 0.449 0.955 0.545 CB 1.128 23 residues pruned to eliminate duplicates Z: 6 2.500 1.635 0.161 0.464 0.600 0.400 CB 1.019 6 residues pruned to eliminate duplicates Z: 53 25.189 2.022 0.348 0.540 0.865 0.596 CB 1.425 53 residues pruned to eliminate duplicates Z: 43 34.142 2.098 0.622 0.699 0.929 0.619 CA 1.390 43 residues pruned to eliminate duplicates Z: 11 7.435 1.905 0.285 0.388 0.900 0.900 CB 1.202 11 residues pruned to eliminate duplicates Z: 10 6.446 1.769 0.134 0.408 0.889 0.333 CA 1.328 7 residues pruned to eliminate duplicates Z: 22 32.859 2.097 0.685 0.876 1.000 0.667 CA 1.474 22 residues pruned to eliminate duplicates Z: 46 21.364 1.980 0.372 0.440 0.889 0.600 CB 1.404 53 residues pruned to eliminate duplicates Z: 7 5.221 1.697 -0.005 0.661 1.000 0.833 CA 1.087 7 residues pruned to eliminate duplicates Z: 25 16.797 1.946 0.662 0.414 0.792 0.458 CB 1.465 25 residues pruned to eliminate duplicates Z: 6 3.520 1.450 0.273 0.466 1.000 0.600 CB 0.883 Z: 11 13.789 2.226 0.411 0.433 1.000 0.800 CB 1.487 12 residues pruned to eliminate duplicates Z: 11 10.224 1.958 0.648 0.331 0.900 0.400 CA 1.339 11 residues pruned to eliminate duplicates Z: 18 10.319 1.944 0.236 0.337 0.824 0.471 CA 1.511 19 residues pruned to eliminate duplicates Z: 22 34.942 2.092 0.540 0.893 1.000 0.905 CA 1.700 22 residues pruned to eliminate duplicates Z: 17 11.467 2.000 0.164 0.364 0.938 0.625 CB 1.519 18 residues pruned to eliminate duplicates Z: 19 12.544 1.974 0.261 0.507 0.944 0.611 CB 1.249 19 residues pruned to eliminate duplicates Z: 10 7.462 1.770 0.873 0.337 0.778 0.556 CB 1.153 10 residues pruned to eliminate duplicates Z: 17 9.143 1.936 0.094 0.449 0.750 0.500 CA 1.517 17 residues pruned to eliminate duplicates Z: 20 10.797 1.954 0.493 0.324 0.789 0.526 CA 1.306 20 residues pruned to eliminate duplicates Z: 24 23.290 2.082 0.610 0.548 0.913 0.696 CA 1.514 24 residues pruned to eliminate duplicates Z: 11 12.367 1.984 0.535 0.514 0.900 0.600 CA 1.408 11 residues pruned to eliminate duplicates Z: 25 15.586 2.048 0.366 0.389 0.917 0.500 CB 1.395 24 residues pruned to eliminate duplicates Z: 23 13.054 1.968 0.366 0.495 0.909 0.682 CB 1.144 23 residues pruned to eliminate duplicates Z: 7 2.594 1.465 0.194 0.366 0.667 0.500 CA 1.049 7 residues pruned to eliminate duplicates Z: 12 9.583 1.710 0.562 0.447 0.818 0.545 CA 1.396 6 residues pruned to eliminate duplicates Z: 20 13.065 1.966 0.293 0.437 0.895 0.526 CB 1.408 20 residues pruned to eliminate duplicates Z: 8 9.552 1.825 0.776 0.597 0.857 0.714 CB 1.184 8 residues pruned to eliminate duplicates Z: 12 6.388 1.673 0.197 0.429 0.909 0.273 CA 1.138 12 residues pruned to eliminate duplicates Z: 13 15.596 1.993 0.358 0.897 1.000 0.833 CA 1.191 13 residues pruned to eliminate duplicates Z: 14 20.975 2.044 0.454 0.890 0.923 0.615 CB 1.526 14 residues pruned to eliminate duplicates 6 1.371 1.629 -0.238 0.298 0.800 0.400 CB 0.773 ? Z: 14 12.743 2.053 0.390 0.410 0.923 0.462 CB 1.475 14 residues pruned to eliminate duplicates Z: 19 27.111 2.215 0.329 0.718 0.944 0.889 CB 1.886 19 residues pruned to eliminate duplicates Z: 7 6.775 1.867 0.256 0.737 0.833 0.667 CA 1.144 7 residues pruned to eliminate duplicates Z: 12 14.233 2.162 0.018 0.839 1.000 0.909 CB 1.456 12 residues pruned to eliminate duplicates Z: 19 18.983 2.067 0.536 0.598 0.889 0.389 CB 1.444 19 residues pruned to eliminate duplicates Z: 7 5.213 1.425 0.861 0.401 0.833 0.333 CB 1.069 Z: 15 9.186 1.786 0.489 0.455 0.857 0.643 CB 1.127 16 residues pruned to eliminate duplicates Z: 7 3.006 1.629 -0.081 0.345 0.833 0.333 CB 1.165 Z: 12 8.691 1.699 0.485 0.522 1.000 0.818 CB 1.016 11 residues pruned to eliminate duplicates Z: 6 4.583 1.758 -0.083 0.750 0.800 0.800 N 1.271 6 residues pruned to eliminate duplicates Z: 11 11.251 2.012 0.092 0.540 1.000 1.000 CB 1.558 10 residues pruned to eliminate duplicates Z: 14 6.128 1.666 0.205 0.467 0.692 0.231 N 1.264 Z: 23 24.581 1.831 0.800 0.891 1.000 0.636 CA 1.143 23 residues pruned to eliminate duplicates Z: 17 7.578 1.876 0.059 0.336 0.750 0.500 CA 1.521 17 residues pruned to eliminate duplicates Z: 13 7.920 1.757 0.636 0.336 0.750 0.333 CB 1.269 9 residues pruned to eliminate duplicates Z: 10 9.704 1.872 0.339 0.845 0.889 0.444 CB 1.079 10 residues pruned to eliminate duplicates Z: 20 12.606 1.971 0.353 0.465 0.789 0.526 CB 1.423 18 residues pruned to eliminate duplicates Z: 7 3.710 1.835 0.158 0.426 0.667 0.500 CA 1.156 7 residues pruned to eliminate duplicates Z: 19 14.086 1.997 0.055 0.882 0.944 0.833 CB 1.208 19 residues pruned to eliminate duplicates Z: 6 3.893 1.740 0.082 0.554 0.800 0.600 CB 1.097 Z: 6 6.275 1.732 0.167 0.671 1.000 1.000 CA 1.185 Z: 9 3.389 1.581 0.093 0.520 0.875 0.500 CB 0.776 9 residues pruned to eliminate duplicates Z: 9 2.088 1.499 0.617 0.255 0.625 0.375 CA 0.645 Z: 39 28.353 2.042 0.556 0.575 0.947 0.605 CA 1.421 39 residues pruned to eliminate duplicates Z: 19 14.672 1.901 0.342 0.489 0.889 0.556 CB 1.542 12 residues pruned to eliminate duplicates 7 1.058 1.286 -0.362 0.508 0.833 0.333 CB 0.626 ? Z: 7 4.516 1.767 0.561 0.811 0.833 0.500 CB 0.612 7 residues pruned to eliminate duplicates Z: 18 20.617 2.069 0.629 0.820 0.941 0.588 CB 1.194 18 residues pruned to eliminate duplicates Z: 6 4.681 1.678 0.148 0.621 0.800 0.200 CB 1.213 Z: 16 8.776 1.967 0.178 0.269 0.800 0.533 CB 1.591 16 residues pruned to eliminate duplicates Z: 38 23.734 2.112 0.327 0.496 0.919 0.622 CA 1.521 38 residues pruned to eliminate duplicates Z: 6 5.594 1.691 -0.024 0.775 0.800 0.400 N 1.486 6 residues pruned to eliminate duplicates Z: 17 9.495 1.942 0.305 0.441 0.688 0.438 CA 1.449 17 residues pruned to eliminate duplicates Z: 14 2.632 1.277 0.196 0.464 0.692 0.385 CB 0.716 Z: 11 10.366 1.790 0.504 0.804 0.900 0.600 CA 1.038 11 residues pruned to eliminate duplicates Z: 7 6.171 1.865 0.203 0.476 0.833 0.500 CB 1.380 7 residues pruned to eliminate duplicates Z: 6 3.246 1.513 0.588 0.324 0.800 0.400 O 0.916 Z: 13 15.622 2.105 0.458 0.557 0.833 0.583 CA 1.668 13 residues pruned to eliminate duplicates Z: 8 4.934 1.419 0.452 0.548 0.857 0.429 N 1.007 Z: 14 5.390 1.837 0.578 0.210 0.615 0.308 CA 1.179 10 residues pruned to eliminate duplicates Z: 8 6.931 1.753 0.745 0.594 0.857 0.286 CB 0.914 Z: 16 16.442 2.152 0.157 0.875 0.933 0.600 CB 1.328 16 residues pruned to eliminate duplicates Z: 8 8.050 1.855 0.093 0.605 1.000 0.429 N 1.358 8 residues pruned to eliminate duplicates Z: 28 21.956 2.086 0.172 0.698 0.889 0.815 CB 1.624 28 residues pruned to eliminate duplicates Z: 7 3.145 1.566 0.664 0.404 0.667 0.500 CB 0.818 Z: 9 9.278 1.821 0.056 0.694 1.000 0.750 CA 1.428 8 residues pruned to eliminate duplicates Z: 23 12.519 2.030 0.533 0.279 0.818 0.318 CA 1.345 23 residues pruned to eliminate duplicates Z: 12 6.016 1.811 0.007 0.542 0.909 0.636 CA 1.050 12 residues pruned to eliminate duplicates Z: 13 11.082 1.990 0.281 0.629 0.917 0.583 CB 1.212 13 residues pruned to eliminate duplicates Z: 6 5.815 1.606 0.170 0.758 1.000 0.600 CA 1.100 6 residues pruned to eliminate duplicates Z: 6 2.598 1.486 -0.190 0.459 0.800 0.600 O 1.258 5 residues pruned to eliminate duplicates Z: 14 12.764 2.073 0.210 0.409 0.923 0.692 CA 1.681 15 residues pruned to eliminate duplicates Z: 16 10.780 2.023 0.233 0.458 0.733 0.533 CA 1.589 18 residues pruned to eliminate duplicates Z: 10 4.585 1.835 0.084 0.443 0.778 0.444 CB 1.048 10 residues pruned to eliminate duplicates Z: 9 7.670 1.976 -0.032 0.605 1.000 0.750 CB 1.283 9 residues pruned to eliminate duplicates Z: 12 11.397 1.903 0.704 0.418 0.909 0.727 CB 1.269 11 residues pruned to eliminate duplicates Z: 7 6.924 2.027 0.397 0.453 0.667 0.667 CB 1.571 7 residues pruned to eliminate duplicates Z: 20 36.574 2.089 0.833 0.923 1.000 0.842 CB 1.540 20 residues pruned to eliminate duplicates Z: 15 12.716 2.131 0.288 0.496 0.857 0.500 CB 1.450 15 residues pruned to eliminate duplicates Z: 17 13.321 1.929 0.384 0.416 0.875 0.500 CB 1.556 16 residues pruned to eliminate duplicates Z: 8 5.091 1.593 0.216 0.719 1.000 0.714 CB 0.815 8 residues pruned to eliminate duplicates Z: 28 21.172 1.906 0.490 0.650 0.963 0.852 CA 1.295 28 residues pruned to eliminate duplicates 7 1.616 1.573 -0.022 0.245 0.500 0.333 CB 1.152 ? Z: 7 5.504 1.544 0.053 0.618 1.000 0.500 N 1.237 Z: 11 12.925 1.823 0.583 0.799 0.900 0.800 CA 1.211 11 residues pruned to eliminate duplicates Z: 15 9.851 2.072 0.376 0.330 0.714 0.571 CA 1.557 15 residues pruned to eliminate duplicates Z: 8 4.573 1.536 0.472 0.260 1.000 0.429 CB 1.006 Z: 12 15.859 1.985 0.750 0.778 0.909 0.364 CB 1.185 12 residues pruned to eliminate duplicates Z: 14 15.709 2.063 0.219 0.529 1.000 0.692 CA 1.682 14 residues pruned to eliminate duplicates Z: 15 28.750 2.160 0.837 0.911 0.929 0.571 CA 1.478 15 residues pruned to eliminate duplicates Z: 6 6.061 1.445 0.819 0.624 0.800 0.400 O 1.147 Z: 26 13.070 1.884 0.308 0.390 0.880 0.520 CB 1.354 26 residues pruned to eliminate duplicates Z: 14 10.442 1.805 0.354 0.418 1.000 0.692 CA 1.291 14 residues pruned to eliminate duplicates Z: 8 8.118 2.020 0.377 0.571 1.000 0.857 CB 1.030 8 residues pruned to eliminate duplicates Z: 12 11.691 2.101 0.497 0.860 0.727 0.364 CB 1.133 12 residues pruned to eliminate duplicates Z: 29 15.314 1.979 0.444 0.316 0.821 0.464 CB 1.510 29 residues pruned to eliminate duplicates Z: 18 9.216 2.013 0.503 0.424 0.706 0.412 CB 1.133 18 residues pruned to eliminate duplicates Z: 9 8.790 1.953 0.448 0.422 0.875 0.500 CB 1.361 9 residues pruned to eliminate duplicates Z: 22 11.798 1.804 0.506 0.408 0.810 0.429 CA 1.289 22 residues pruned to eliminate duplicates Z: 9 5.133 1.575 0.380 0.446 1.000 0.500 CB 0.882 Z: 14 11.438 2.000 0.241 0.473 0.923 0.615 CB 1.423 14 residues pruned to eliminate duplicates Z: 50 39.108 2.176 0.499 0.647 0.918 0.592 CB 1.626 50 residues pruned to eliminate duplicates Z: 11 10.074 1.930 0.594 0.563 0.900 0.800 CB 1.083 11 residues pruned to eliminate duplicates Z: 8 5.572 1.390 0.633 0.577 0.857 0.429 O 1.005 Z: 28 24.738 2.101 0.556 0.590 0.889 0.444 CA 1.503 28 residues pruned to eliminate duplicates Z: 11 10.317 1.894 0.253 0.617 1.000 0.800 CB 1.231 13 residues pruned to eliminate duplicates Z: 25 16.723 2.043 0.270 0.349 0.917 0.458 CA 1.690 25 residues pruned to eliminate duplicates Z: 11 3.366 1.528 0.482 0.223 0.700 0.300 CB 0.929 Z: 7 4.663 1.841 0.490 0.587 1.000 0.667 CB 0.638 7 residues pruned to eliminate duplicates Z: 10 3.654 1.856 0.165 0.343 0.556 0.222 CB 1.202 10 residues pruned to eliminate duplicates Z: 14 9.881 1.716 0.494 0.468 0.846 0.538 CB 1.306 13 residues pruned to eliminate duplicates Z: 49 24.766 2.076 0.363 0.417 0.854 0.562 CA 1.612 49 residues pruned to eliminate duplicates Z: 7 2.922 1.454 0.151 0.182 1.000 0.167 CB 1.045 Z: 12 9.829 1.889 0.534 0.375 0.909 0.455 CA 1.286 16 residues pruned to eliminate duplicates Z: 14 7.259 1.791 0.336 0.234 1.000 0.308 CB 1.147 Z: 14 12.861 2.109 0.355 0.417 0.846 0.538 CB 1.608 14 residues pruned to eliminate duplicates Z: 8 4.159 1.489 0.340 0.535 0.714 0.429 CB 1.066 Z: 7 4.894 1.717 0.544 0.534 0.833 0.167 CB 0.875 7 residues pruned to eliminate duplicates Z: 34 14.457 1.925 0.296 0.374 0.848 0.485 CB 1.361 29 residues pruned to eliminate duplicates Z: 28 19.449 1.958 0.488 0.411 0.889 0.556 N 1.586 29 residues pruned to eliminate duplicates Z: 29 15.704 1.949 0.359 0.426 0.857 0.464 CB 1.411 29 residues pruned to eliminate duplicates Z: 13 7.723 1.622 0.250 0.480 0.833 0.417 O 1.346 Z: 17 19.596 2.168 0.392 0.868 0.875 0.812 CB 1.357 17 residues pruned to eliminate duplicates Z: 6 2.533 1.235 -0.138 0.586 1.000 0.600 CA 0.979 Z: 19 10.139 2.005 0.417 0.367 0.667 0.444 CA 1.457 19 residues pruned to eliminate duplicates Z: 13 18.076 1.803 1.023 0.822 0.917 0.750 CA 1.180 13 residues pruned to eliminate duplicates Z: 11 6.976 1.898 0.770 0.520 0.800 0.700 CB 0.805 11 residues pruned to eliminate duplicates Z: 6 3.289 1.248 0.438 0.422 1.000 0.400 CB 0.889 Z: 20 25.888 2.037 0.682 0.876 1.000 0.684 CA 1.259 20 residues pruned to eliminate duplicates Z: 12 5.061 1.797 0.118 0.524 0.818 0.727 CB 0.906 12 residues pruned to eliminate duplicates Z: 20 36.758 2.213 0.714 0.895 1.000 0.895 CA 1.594 20 residues pruned to eliminate duplicates Z: 23 13.350 1.943 0.357 0.529 0.909 0.773 CB 1.154 23 residues pruned to eliminate duplicates Z: 37 28.264 2.066 0.528 0.600 0.917 0.528 CA 1.480 37 residues pruned to eliminate duplicates Z: 14 7.963 1.818 0.421 0.356 0.846 0.385 CA 1.180 14 residues pruned to eliminate duplicates Z: 7 4.599 1.607 0.539 0.317 0.833 0.500 CB 1.115 7 residues pruned to eliminate duplicates Z: 7 4.721 1.821 0.356 0.521 0.833 0.667 CB 0.917 7 residues pruned to eliminate duplicates Z: 12 15.900 2.056 0.792 0.415 0.909 0.455 CA 1.565 12 residues pruned to eliminate duplicates Z: 11 15.690 1.744 0.718 0.780 1.000 0.700 CA 1.294 11 residues pruned to eliminate duplicates Z: 12 10.485 1.759 0.523 0.746 0.727 0.545 CA 1.301 12 residues pruned to eliminate duplicates Z: 6 6.068 1.171 1.159 0.739 1.000 0.600 CB 0.866 Z: 11 14.010 2.004 0.375 0.540 1.000 0.800 CB 1.546 11 residues pruned to eliminate duplicates Z: 34 25.507 2.088 0.556 0.495 0.939 0.727 CB 1.463 34 residues pruned to eliminate duplicates Z: 8 4.256 1.405 0.590 0.417 0.857 0.571 N 0.916 Z: 10 3.802 1.328 0.502 0.251 0.889 0.667 CB 0.952 Z: 8 2.969 1.635 0.347 0.227 0.714 0.429 N 0.980 6 residues pruned to eliminate duplicates Z: 9 10.261 1.981 0.255 0.561 1.000 0.750 CB 1.375 9 residues pruned to eliminate duplicates Z: 28 28.247 2.047 0.448 0.677 0.926 0.704 CB 1.683 28 residues pruned to eliminate duplicates Z: 21 16.517 1.992 0.406 0.383 0.900 0.500 CA 1.659 21 residues pruned to eliminate duplicates Z: 8 4.803 1.550 0.323 0.421 0.857 0.571 CA 1.121 4 residues pruned to eliminate duplicates 6 1.580 1.532 0.215 0.401 0.600 0.600 CB 0.702 ? Z: 12 23.955 2.168 0.590 0.924 1.000 0.909 CA 1.471 12 residues pruned to eliminate duplicates Z: 10 7.930 1.752 0.327 0.346 1.000 0.333 CB 1.344 10 residues pruned to eliminate duplicates Z: 6 3.781 1.735 0.322 0.405 0.600 0.400 CB 1.358 6 residues pruned to eliminate duplicates Z: 6 4.550 1.722 0.132 0.397 0.800 0.600 CA 1.456 Z: 10 2.168 1.280 0.269 0.220 0.778 0.333 C 0.795 9 1.908 1.199 0.654 0.186 0.750 0.250 N 0.661 ? Z: 35 32.519 2.036 0.386 0.745 0.971 0.794 CA 1.635 35 residues pruned to eliminate duplicates Z: 24 13.773 1.995 0.515 0.347 0.783 0.435 CB 1.434 24 residues pruned to eliminate duplicates Z: 10 22.559 2.100 0.607 0.918 1.000 0.667 CB 1.572 10 residues pruned to eliminate duplicates Z: 9 6.132 1.638 0.244 0.548 0.875 0.625 CA 1.160 9 residues pruned to eliminate duplicates Z: 10 6.005 1.604 0.368 0.337 0.889 0.667 N 1.227 10 residues pruned to eliminate duplicates Z: 61 43.625 2.135 0.600 0.572 0.983 0.517 CB 1.564 61 residues pruned to eliminate duplicates Z: 11 19.444 1.928 0.493 0.882 1.000 0.800 CB 1.545 11 residues pruned to eliminate duplicates Z: 24 21.343 2.063 0.225 0.621 0.957 0.696 CA 1.643 24 residues pruned to eliminate duplicates Z: 6 2.377 1.594 -0.140 0.292 0.800 0.600 O 1.224 Z: 6 5.958 1.763 0.282 0.647 0.800 0.600 CA 1.285 6 residues pruned to eliminate duplicates Z: 27 15.212 2.030 0.369 0.502 0.808 0.500 CB 1.326 27 residues pruned to eliminate duplicates Z: 6 2.578 1.303 0.476 0.464 0.800 0.400 C 0.777 6 1.913 1.680 0.342 0.100 0.800 0.400 CA 0.790 ? Z: 7 3.997 1.565 -0.118 0.492 1.000 0.667 CA 1.191 7 residues pruned to eliminate duplicates Z: 11 2.857 1.227 0.121 0.551 0.900 0.700 CA 0.694 Z: 51 31.533 1.961 0.484 0.698 0.920 0.620 CA 1.390 51 residues pruned to eliminate duplicates Z: 9 3.977 1.429 0.387 0.355 0.875 0.500 N 0.949 Z: 9 5.192 1.574 0.175 0.595 0.875 0.500 N 1.036 Z: 11 6.444 1.563 0.591 0.467 0.800 0.600 CB 1.059 11 residues pruned to eliminate duplicates Z: 8 2.542 1.316 -0.014 0.340 1.000 0.571 CB 0.882 Z: 7 4.787 1.527 0.280 0.442 0.833 0.500 CA 1.273 Z: 7 4.510 1.659 0.437 0.457 0.667 0.500 CB 1.211 Z: 15 8.032 1.758 0.358 0.321 0.857 0.429 N 1.278 18 residues pruned to eliminate duplicates Z: 19 9.503 1.877 0.495 0.288 0.722 0.278 CA 1.403 19 residues pruned to eliminate duplicates Z: 15 5.555 1.764 0.228 0.200 0.786 0.429 CB 1.246 11 residues pruned to eliminate duplicates Z: 8 5.420 1.443 0.466 0.583 0.857 0.571 CB 1.043 Z: 16 8.708 1.790 0.325 0.346 0.933 0.333 CB 1.200 16 residues pruned to eliminate duplicates Z: 13 22.143 2.063 0.751 0.791 1.000 0.750 CB 1.371 13 residues pruned to eliminate duplicates Z: 8 7.520 1.664 0.289 0.755 1.000 0.714 CB 1.055 8 residues pruned to eliminate duplicates Z: 26 15.630 2.012 0.459 0.330 0.920 0.600 CA 1.395 26 residues pruned to eliminate duplicates 6 1.123 1.219 0.003 0.237 0.800 0.400 N 0.696 ? Z: 16 11.821 1.796 0.479 0.439 0.867 0.400 CA 1.411 14 residues pruned to eliminate duplicates Z: 8 3.324 1.582 0.084 0.358 0.714 0.429 CA 1.196 6 residues pruned to eliminate duplicates Z: 6 4.152 1.447 0.477 0.637 0.800 0.600 O 0.955 Z: 7 2.069 1.361 0.631 0.237 0.667 0.500 CA 0.774 Z: 26 17.068 2.129 0.377 0.383 0.800 0.480 CA 1.648 26 residues pruned to eliminate duplicates Z: 19 9.228 1.809 0.144 0.524 0.889 0.556 CB 1.154 19 residues pruned to eliminate duplicates Z: 9 3.867 1.502 0.053 0.644 0.875 0.500 CB 0.864 Z: 6 5.105 1.864 -0.107 0.728 1.000 0.600 N 1.117 Z: 10 10.025 1.752 0.788 0.447 0.889 0.556 CA 1.267 10 residues pruned to eliminate duplicates Z: 26 22.938 2.174 0.565 0.539 0.960 0.480 CA 1.352 26 residues pruned to eliminate duplicates 6 1.675 1.314 0.816 0.286 0.600 0.400 C 0.665 ? Z: 12 4.918 1.794 0.149 0.496 0.818 0.545 CB 0.883 12 residues pruned to eliminate duplicates Z: 44 43.000 2.219 0.655 0.683 0.907 0.535 CB 1.664 44 residues pruned to eliminate duplicates Z: 14 8.581 1.648 0.606 0.353 0.923 0.538 CB 1.142 14 residues pruned to eliminate duplicates Z: 57 31.908 2.108 0.346 0.507 0.911 0.625 CB 1.639 57 residues pruned to eliminate duplicates Z: 11 13.398 2.056 0.364 0.551 0.900 0.400 CB 1.598 11 residues pruned to eliminate duplicates Z: 8 3.911 1.514 0.410 0.323 0.857 0.429 N 0.982 Z: 10 18.973 1.956 0.789 0.817 0.889 0.556 CB 1.545 10 residues pruned to eliminate duplicates Z: 26 20.310 1.995 0.477 0.451 0.960 0.640 CA 1.509 26 residues pruned to eliminate duplicates Z: 23 15.913 2.072 0.378 0.504 0.818 0.409 CB 1.446 23 residues pruned to eliminate duplicates Z: 59 35.304 2.072 0.610 0.571 0.879 0.517 CA 1.476 60 residues pruned to eliminate duplicates Z: 6 3.474 1.640 0.053 0.413 0.800 0.400 CB 1.232 6 residues pruned to eliminate duplicates Z: 7 2.473 1.337 0.615 0.515 0.667 0.667 CB 0.691 Z: 20 13.430 1.970 0.376 0.510 1.000 0.526 CB 1.126 20 residues pruned to eliminate duplicates Z: 28 21.167 2.004 0.656 0.558 0.926 0.556 CA 1.254 28 residues pruned to eliminate duplicates Z: 26 12.376 1.881 0.390 0.414 0.960 0.480 CB 1.078 26 residues pruned to eliminate duplicates 6 1.217 1.222 0.034 0.285 0.800 0.400 N 0.686 ? Z: 6 2.712 1.146 0.979 0.480 0.800 0.600 CA 0.682 Z: 11 8.527 1.928 0.012 0.517 1.000 0.700 CA 1.359 11 residues pruned to eliminate duplicates Z: 21 13.626 1.938 0.425 0.451 0.850 0.600 CB 1.366 21 residues pruned to eliminate duplicates Z: 37 30.671 1.989 0.579 0.625 0.889 0.583 CA 1.627 37 residues pruned to eliminate duplicates Z: 20 23.340 2.149 0.530 0.548 1.000 0.737 CB 1.555 20 residues pruned to eliminate duplicates Z: 6 2.232 1.475 0.243 0.443 0.600 0.400 CB 0.962 Z: 7 3.103 1.937 0.310 0.166 0.500 0.500 CB 1.499 Z: 6 4.194 1.837 -0.203 0.792 1.000 0.600 CA 0.992 6 residues pruned to eliminate duplicates Z: 24 11.915 1.905 0.400 0.465 0.913 0.522 CB 1.058 24 residues pruned to eliminate duplicates Z: 20 18.623 2.128 0.487 0.547 0.789 0.579 CB 1.634 20 residues pruned to eliminate duplicates Z: 12 4.667 1.703 0.311 0.329 0.636 0.455 CA 1.195 12 residues pruned to eliminate duplicates Z: 8 3.382 1.084 0.129 0.824 1.000 0.857 N 0.789 Z: 11 4.863 1.522 0.440 0.337 0.800 0.500 CA 1.047 11 residues pruned to eliminate duplicates Z: 7 3.708 1.487 0.433 0.215 0.833 0.333 C 1.192 Z: 7 5.129 1.495 0.417 0.350 1.000 0.833 N 1.162 6 0.515 1.261 0.137 0.478 0.600 0.600 CB 0.274 ? Z: 15 8.649 1.826 0.412 0.481 0.857 0.571 CB 1.066 15 residues pruned to eliminate duplicates Z: 14 4.343 1.602 0.232 0.508 0.846 0.308 CB 0.716 14 residues pruned to eliminate duplicates Z: 38 23.593 2.096 0.441 0.484 0.946 0.595 CA 1.380 38 residues pruned to eliminate duplicates Z: 9 4.230 1.639 0.205 0.293 0.875 0.625 CB 1.091 9 residues pruned to eliminate duplicates Z: 14 10.561 1.723 0.417 0.487 0.923 0.538 CB 1.318 14 residues pruned to eliminate duplicates 6 1.113 1.553 -0.033 0.309 0.600 0.600 CB 0.683 ? Z: 7 2.390 1.302 0.096 0.413 1.000 0.333 CB 0.749 Z: 9 12.467 2.009 0.817 0.696 0.875 0.750 CB 1.154 9 residues pruned to eliminate duplicates Z: 7 3.844 1.523 0.447 0.390 0.667 0.500 C 1.201 Z: 23 11.205 1.847 0.235 0.369 0.818 0.364 CA 1.474 23 residues pruned to eliminate duplicates 9 1.726 1.426 0.539 0.194 0.750 0.500 CA 0.534 ? Z: 11 7.579 2.004 0.097 0.444 0.800 0.500 CA 1.443 11 residues pruned to eliminate duplicates Z: 12 11.368 2.177 0.317 0.485 0.818 0.727 CB 1.483 12 residues pruned to eliminate duplicates Z: 9 8.027 1.975 0.445 0.293 0.875 0.250 CB 1.433 9 residues pruned to eliminate duplicates Z: 18 17.422 2.015 0.576 0.525 1.000 0.706 CB 1.298 18 residues pruned to eliminate duplicates Z: 7 3.598 1.435 0.350 0.356 0.833 0.167 CB 1.062 Z: 15 11.857 1.942 0.468 0.423 1.000 0.571 CB 1.204 15 residues pruned to eliminate duplicates Z: 12 5.926 1.445 0.671 0.330 0.727 0.455 CB 1.226 8 residues pruned to eliminate duplicates Z: 7 6.429 1.849 0.193 0.387 1.000 0.500 CA 1.341 7 residues pruned to eliminate duplicates Z: 10 5.631 1.552 0.408 0.411 0.778 0.444 CA 1.212 10 residues pruned to eliminate duplicates Z: 27 24.082 2.019 0.322 0.676 0.923 0.731 CB 1.630 27 residues pruned to eliminate duplicates Z: 6 2.085 1.429 0.543 0.317 0.600 0.400 CB 0.863 Z: 6 2.749 1.366 0.790 0.462 0.600 0.600 CB 0.871 Z: 13 7.544 1.559 0.428 0.406 1.000 0.583 CB 1.080 14 residues pruned to eliminate duplicates Z: 34 21.112 2.018 0.365 0.533 0.818 0.545 CB 1.578 34 residues pruned to eliminate duplicates 6 1.477 1.396 0.000 0.261 0.800 0.400 CB 0.778 ? 6 1.704 1.071 0.113 0.328 1.000 0.800 N 0.771 ? Using tripeptides from previous cycle as seeds Z: 26 14.495 1.932 0.364 0.460 0.920 0.560 CB 1.246 26 residues pruned to eliminate duplicates Z: 26 13.822 1.936 0.400 0.467 0.880 0.600 CB 1.198 26 residues pruned to eliminate duplicates Z: 9 11.194 1.846 0.710 0.654 0.875 0.625 CB 1.241 8 residues pruned to eliminate duplicates Z: 6 2.900 1.729 0.398 0.416 0.600 0.600 CA 0.976 6 residues pruned to eliminate duplicates Z: 21 15.561 1.994 0.420 0.477 0.950 0.600 CB 1.325 22 residues pruned to eliminate duplicates Z: 6 4.141 1.864 0.144 0.372 1.000 0.600 CA 0.996 6 residues pruned to eliminate duplicates Z: 17 12.228 1.999 0.451 0.419 0.875 0.438 CB 1.311 17 residues pruned to eliminate duplicates Z: 23 12.954 1.948 0.353 0.439 0.909 0.591 CB 1.228 23 residues pruned to eliminate duplicates Z: 23 12.560 1.975 0.391 0.453 0.864 0.591 CB 1.185 23 residues pruned to eliminate duplicates Z: 23 13.302 1.940 0.498 0.434 0.909 0.591 CB 1.149 23 residues pruned to eliminate duplicates Z: 19 14.204 1.990 0.354 0.505 1.000 0.500 CB 1.236 19 residues pruned to eliminate duplicates Z: 37 17.692 2.017 0.328 0.428 0.917 0.639 CB 1.294 62 residues pruned to eliminate duplicates Z: 18 13.695 2.025 0.388 0.494 1.000 0.706 CB 1.188 Z: 6 3.878 1.752 0.246 0.382 0.800 0.200 CB 1.125 6 residues pruned to eliminate duplicates Z: 11 5.179 1.651 0.420 0.371 0.700 0.500 CB 1.145 11 residues pruned to eliminate duplicates Z: 8 11.322 1.918 0.458 0.548 1.000 0.429 CA 1.460 8 residues pruned to eliminate duplicates Z: 8 11.555 1.877 0.456 0.555 1.000 0.571 CB 1.515 8 residues pruned to eliminate duplicates Z: 7 10.231 1.790 0.331 0.629 1.000 0.500 N 1.552 7 residues pruned to eliminate duplicates Z: 8 11.320 1.911 0.402 0.575 1.000 0.429 CB 1.485 8 residues pruned to eliminate duplicates Z: 12 7.956 1.981 0.289 0.477 0.909 0.727 CB 1.058 12 residues pruned to eliminate duplicates Z: 12 9.670 1.978 0.273 0.499 0.909 0.636 CB 1.275 12 residues pruned to eliminate duplicates Z: 15 11.042 1.773 0.329 0.483 0.929 0.500 CB 1.372 15 residues pruned to eliminate duplicates Z: 10 9.386 2.062 0.498 0.356 0.778 0.444 CB 1.522 10 residues pruned to eliminate duplicates Z: 14 9.887 1.924 0.287 0.415 0.923 0.615 CB 1.310 14 residues pruned to eliminate duplicates Z: 65 46.412 2.130 0.674 0.589 0.938 0.500 CA 1.593 65 residues pruned to eliminate duplicates Z: 15 8.056 1.887 0.288 0.378 0.857 0.571 CB 1.177 15 residues pruned to eliminate duplicates Z: 10 10.601 1.808 0.529 0.524 0.889 0.333 CA 1.404 10 residues pruned to eliminate duplicates Z: 7 12.403 2.016 0.552 0.691 1.000 0.500 CB 1.359 12 residues pruned to eliminate duplicates Z: 6 7.348 1.968 0.374 0.566 1.000 0.800 CB 1.140 6 residues pruned to eliminate duplicates Z: 11 8.564 1.887 0.419 0.475 1.000 0.600 CB 1.037 11 residues pruned to eliminate duplicates Z: 6 4.454 1.653 0.173 0.461 1.000 1.000 CA 1.070 Z: 6 6.615 1.983 -0.064 0.431 1.000 0.600 CA 1.713 6 residues pruned to eliminate duplicates Z: 17 11.657 1.999 0.275 0.318 0.875 0.500 CB 1.596 17 residues pruned to eliminate duplicates Z: 17 9.774 1.977 0.316 0.315 0.750 0.438 CB 1.537 17 residues pruned to eliminate duplicates Z: 18 10.015 1.904 0.257 0.290 0.824 0.412 CA 1.559 18 residues pruned to eliminate duplicates Z: 17 11.883 2.007 0.285 0.379 0.875 0.375 CB 1.498 17 residues pruned to eliminate duplicates Z: 17 10.730 1.988 0.350 0.296 0.750 0.438 CB 1.675 17 residues pruned to eliminate duplicates Z: 11 10.142 1.959 0.318 0.500 0.800 0.300 CA 1.553 9 residues pruned to eliminate duplicates Z: 6 12.046 1.996 0.190 0.848 1.000 0.800 CB 1.683 6 residues pruned to eliminate duplicates Z: 12 7.901 1.848 0.122 0.455 0.818 0.364 N 1.471 12 residues pruned to eliminate duplicates Z: 12 7.691 1.854 0.120 0.412 0.818 0.364 CA 1.496 13 residues pruned to eliminate duplicates Z: 6 9.841 1.995 0.335 0.449 1.000 0.800 CA 1.742 6 residues pruned to eliminate duplicates Z: 14 5.741 1.738 0.166 0.363 0.769 0.385 CB 1.184 14 residues pruned to eliminate duplicates Z: 12 9.609 1.882 0.304 0.454 0.818 0.455 CA 1.512 11 residues pruned to eliminate duplicates Z: 8 8.571 1.639 0.936 0.412 0.857 0.286 CB 1.305 8 residues pruned to eliminate duplicates Z: 37 22.035 2.138 0.382 0.444 0.861 0.583 CA 1.528 37 residues pruned to eliminate duplicates Z: 18 12.456 1.954 0.593 0.291 0.882 0.412 CB 1.389 18 residues pruned to eliminate duplicates Z: 43 21.948 2.112 0.357 0.422 0.833 0.476 CB 1.539 43 residues pruned to eliminate duplicates Z: 42 23.361 2.112 0.387 0.443 0.854 0.415 CB 1.548 42 residues pruned to eliminate duplicates Z: 38 20.534 2.122 0.366 0.402 0.865 0.486 CA 1.493 38 residues pruned to eliminate duplicates Z: 38 23.934 2.128 0.457 0.444 0.892 0.568 CB 1.507 42 residues pruned to eliminate duplicates Z: 7 11.474 1.896 0.867 0.369 1.000 0.167 CA 1.522 7 residues pruned to eliminate duplicates Z: 36 26.085 2.148 0.500 0.483 0.886 0.486 CB 1.572 36 residues pruned to eliminate duplicates Z: 37 22.973 2.129 0.407 0.461 0.889 0.583 CA 1.497 37 residues pruned to eliminate duplicates Z: 42 23.056 2.105 0.366 0.442 0.854 0.512 CB 1.557 42 residues pruned to eliminate duplicates Z: 40 23.933 2.114 0.446 0.442 0.872 0.513 CB 1.526 40 residues pruned to eliminate duplicates Z: 38 24.132 2.136 0.417 0.480 0.892 0.595 CA 1.499 38 residues pruned to eliminate duplicates Z: 42 25.030 2.129 0.482 0.420 0.878 0.439 CB 1.534 42 residues pruned to eliminate duplicates Z: 42 24.347 2.109 0.421 0.450 0.878 0.585 CA 1.520 42 residues pruned to eliminate duplicates Z: 45 22.866 2.051 0.434 0.447 0.841 0.545 CB 1.471 45 residues pruned to eliminate duplicates Z: 39 25.817 2.112 0.458 0.484 0.921 0.553 CA 1.501 39 residues pruned to eliminate duplicates Z: 42 25.460 2.118 0.402 0.463 0.902 0.512 CA 1.540 42 residues pruned to eliminate duplicates Z: 23 16.110 2.069 0.444 0.538 0.818 0.636 CB 1.354 23 residues pruned to eliminate duplicates Z: 38 24.915 2.138 0.451 0.493 0.865 0.568 CA 1.537 38 residues pruned to eliminate duplicates Z: 32 22.632 2.147 0.429 0.459 0.871 0.516 CA 1.586 32 residues pruned to eliminate duplicates Z: 38 23.965 2.150 0.415 0.450 0.892 0.622 CB 1.528 38 residues pruned to eliminate duplicates Z: 38 26.813 2.152 0.447 0.506 0.946 0.568 CB 1.488 38 residues pruned to eliminate duplicates Z: 24 8.091 1.827 0.282 0.407 0.696 0.391 CB 1.142 24 residues pruned to eliminate duplicates Z: 14 10.279 2.060 0.315 0.605 0.923 0.538 CB 1.032 14 residues pruned to eliminate duplicates Z: 12 10.220 2.135 0.155 0.614 0.818 0.455 CB 1.371 12 residues pruned to eliminate duplicates Z: 12 13.890 2.188 0.491 0.629 0.818 0.545 CB 1.390 12 residues pruned to eliminate duplicates Z: 43 26.430 2.094 0.472 0.453 0.905 0.595 CA 1.534 43 residues pruned to eliminate duplicates Z: 12 18.704 2.186 0.495 0.681 1.000 0.636 CA 1.461 17 residues pruned to eliminate duplicates Z: 11 5.596 1.682 0.500 0.619 0.500 0.100 C 1.253 Z: 9 8.087 1.734 0.403 0.748 0.625 0.000 CA 1.508 11 residues pruned to eliminate duplicates Z: 8 6.814 1.699 0.514 0.695 0.571 0.143 CA 1.466 8 residues pruned to eliminate duplicates Z: 7 4.358 1.625 0.495 0.386 0.667 0.000 CB 1.240 7 residues pruned to eliminate duplicates Z: 6 6.926 1.640 1.118 0.452 0.800 0.000 C 1.171 6 residues pruned to eliminate duplicates Z: 10 4.108 1.800 0.652 0.108 0.667 0.111 CA 1.136 9 residues pruned to eliminate duplicates Z: 6 4.781 1.525 0.529 0.487 0.800 0.400 CA 1.161 6 residues pruned to eliminate duplicates Z: 26 15.200 2.083 0.297 0.340 0.800 0.440 CB 1.676 26 residues pruned to eliminate duplicates Z: 18 10.781 2.063 0.436 0.211 0.765 0.235 CA 1.624 18 residues pruned to eliminate duplicates Z: 15 9.678 2.060 0.418 0.215 0.786 0.143 CA 1.577 15 residues pruned to eliminate duplicates Z: 18 5.749 1.942 0.355 0.191 0.588 0.118 CA 1.303 17 residues pruned to eliminate duplicates Z: 6 4.302 1.516 0.456 0.412 1.000 0.200 O 0.956 6 residues pruned to eliminate duplicates Z: 29 14.817 1.992 0.272 0.341 0.786 0.500 CB 1.673 29 residues pruned to eliminate duplicates Z: 22 14.257 2.025 0.284 0.400 0.905 0.524 CB 1.470 22 residues pruned to eliminate duplicates Z: 26 18.587 1.978 0.387 0.419 0.920 0.480 CA 1.602 26 residues pruned to eliminate duplicates Z: 25 18.947 2.050 0.461 0.386 0.875 0.500 N 1.665 25 residues pruned to eliminate duplicates Z: 30 16.037 1.970 0.402 0.321 0.828 0.448 CB 1.587 30 residues pruned to eliminate duplicates Z: 24 20.374 2.114 0.445 0.408 0.870 0.478 CA 1.761 25 residues pruned to eliminate duplicates Z: 6 3.448 1.881 0.090 0.221 0.800 0.600 CA 1.303 6 residues pruned to eliminate duplicates Z: 17 11.867 1.937 0.242 0.426 0.938 0.625 CB 1.421 17 residues pruned to eliminate duplicates Z: 10 10.545 2.076 0.054 0.503 1.000 0.778 CB 1.600 10 residues pruned to eliminate duplicates Z: 25 15.168 2.064 0.362 0.358 0.792 0.375 CA 1.621 25 residues pruned to eliminate duplicates Z: 31 15.719 1.970 0.350 0.323 0.867 0.400 CB 1.513 31 residues pruned to eliminate duplicates Z: 29 15.982 1.985 0.349 0.359 0.857 0.500 CB 1.532 29 residues pruned to eliminate duplicates Z: 25 17.353 2.006 0.371 0.425 0.917 0.500 CA 1.518 25 residues pruned to eliminate duplicates Z: 21 14.889 1.972 0.442 0.409 0.900 0.450 CA 1.431 20 residues pruned to eliminate duplicates Z: 53 28.544 2.102 0.295 0.578 0.923 0.596 CA 1.462 53 residues pruned to eliminate duplicates Z: 26 13.255 2.023 0.170 0.337 0.960 0.480 CB 1.394 26 residues pruned to eliminate duplicates Z: 27 14.668 1.996 0.227 0.367 0.923 0.462 CB 1.467 27 residues pruned to eliminate duplicates Z: 25 12.264 2.009 0.132 0.360 0.875 0.417 CB 1.462 25 residues pruned to eliminate duplicates Z: 29 15.718 2.043 0.178 0.451 0.893 0.464 CA 1.453 29 residues pruned to eliminate duplicates Z: 26 15.551 2.028 0.360 0.369 0.880 0.400 CB 1.474 26 residues pruned to eliminate duplicates Z: 12 9.529 2.154 0.345 0.274 0.909 0.182 CB 1.410 12 residues pruned to eliminate duplicates Z: 81 41.304 2.109 0.441 0.543 0.963 0.600 CB 1.514 81 residues pruned to eliminate duplicates Z: 21 16.301 2.026 0.417 0.424 0.950 0.400 CB 1.447 21 residues pruned to eliminate duplicates Z: 21 13.230 2.013 0.310 0.375 0.850 0.400 CA 1.509 21 residues pruned to eliminate duplicates Z: 26 19.854 2.062 0.419 0.408 1.000 0.520 CA 1.494 26 residues pruned to eliminate duplicates Z: 23 15.858 2.130 0.222 0.372 0.955 0.500 CB 1.560 23 residues pruned to eliminate duplicates Z: 41 24.269 2.005 0.329 0.545 0.975 0.625 CA 1.413 41 residues pruned to eliminate duplicates Z: 22 15.214 1.957 0.497 0.331 0.905 0.476 CB 1.508 22 residues pruned to eliminate duplicates Z: 26 18.658 2.043 0.470 0.452 0.920 0.480 CB 1.419 26 residues pruned to eliminate duplicates Z: 25 14.785 2.117 0.252 0.389 0.875 0.583 CB 1.463 25 residues pruned to eliminate duplicates Z: 17 12.754 2.043 0.446 0.407 0.938 0.688 CB 1.269 17 residues pruned to eliminate duplicates Z: 40 28.058 2.124 0.345 0.650 0.974 0.718 CA 1.404 40 residues pruned to eliminate duplicates Z: 30 22.324 2.100 0.236 0.607 0.931 0.621 CB 1.549 30 residues pruned to eliminate duplicates Z: 9 7.699 2.140 0.279 0.479 0.875 0.625 CA 1.161 9 residues pruned to eliminate duplicates Z: 45 31.120 2.065 0.410 0.663 0.977 0.659 CA 1.418 45 residues pruned to eliminate duplicates Z: 23 16.707 2.065 0.034 0.803 0.955 0.864 CA 1.342 23 residues pruned to eliminate duplicates Z: 13 16.030 2.190 0.245 0.832 1.000 0.833 CA 1.274 13 residues pruned to eliminate duplicates Z: 39 22.605 1.984 0.507 0.513 0.921 0.421 CA 1.314 39 residues pruned to eliminate duplicates Z: 14 18.242 2.177 0.617 0.778 0.923 0.538 CA 1.218 14 residues pruned to eliminate duplicates Z: 61 42.305 2.137 0.544 0.594 0.983 0.583 CA 1.539 61 residues pruned to eliminate duplicates Z: 16 15.762 2.098 0.540 0.668 0.867 0.667 CA 1.244 16 residues pruned to eliminate duplicates Z: 15 16.750 2.073 0.643 0.671 0.929 0.643 CA 1.208 15 residues pruned to eliminate duplicates Z: 26 22.620 2.030 0.471 0.736 0.960 0.720 CA 1.277 26 residues pruned to eliminate duplicates Z: 34 29.425 2.111 0.566 0.683 0.909 0.576 CA 1.440 34 residues pruned to eliminate duplicates Z: 19 20.335 2.089 0.536 0.758 0.944 0.611 CA 1.258 19 residues pruned to eliminate duplicates Z: 35 25.271 2.091 0.440 0.691 0.882 0.647 CA 1.370 35 residues pruned to eliminate duplicates Z: 27 24.482 2.076 0.661 0.674 0.962 0.615 CA 1.233 27 residues pruned to eliminate duplicates Z: 20 18.158 2.048 0.602 0.743 0.789 0.368 CA 1.295 20 residues pruned to eliminate duplicates Z: 55 30.887 2.070 0.467 0.548 0.907 0.574 CA 1.455 55 residues pruned to eliminate duplicates Z: 47 27.621 1.943 0.558 0.560 0.913 0.348 CA 1.390 47 residues pruned to eliminate duplicates Z: 34 29.343 2.143 0.543 0.668 0.939 0.576 CA 1.408 34 residues pruned to eliminate duplicates Z: 42 40.387 2.146 0.673 0.704 1.000 0.756 CA 1.458 42 residues pruned to eliminate duplicates Z: 67 40.617 2.111 0.634 0.575 0.879 0.455 CA 1.534 67 residues pruned to eliminate duplicates Z: 67 45.999 2.128 0.685 0.589 0.924 0.576 CA 1.569 72 residues pruned to eliminate duplicates Z: 17 21.578 1.893 0.876 0.753 0.938 0.688 CB 1.293 17 residues pruned to eliminate duplicates Z: 50 37.641 2.045 0.747 0.602 0.959 0.367 CA 1.423 50 residues pruned to eliminate duplicates Z: 37 27.496 2.085 0.607 0.615 0.889 0.500 CA 1.380 37 residues pruned to eliminate duplicates Z: 37 25.778 2.050 0.596 0.588 0.917 0.556 CA 1.317 37 residues pruned to eliminate duplicates Z: 42 35.181 2.131 0.728 0.674 0.902 0.634 CA 1.409 42 residues pruned to eliminate duplicates Z: 44 33.853 2.136 0.646 0.540 0.930 0.535 CB 1.518 44 residues pruned to eliminate duplicates Z: 34 30.785 2.095 0.712 0.675 0.939 0.545 CA 1.354 34 residues pruned to eliminate duplicates Z: 63 39.768 2.088 0.655 0.587 0.903 0.532 CA 1.488 63 residues pruned to eliminate duplicates Z: 67 39.942 2.105 0.678 0.574 0.864 0.530 CA 1.501 67 residues pruned to eliminate duplicates Z: 11 28.958 2.154 1.072 0.865 0.900 0.800 CA 1.671 11 residues pruned to eliminate duplicates Z: 41 30.292 2.114 0.674 0.469 0.875 0.550 CA 1.596 41 residues pruned to eliminate duplicates Z: 62 36.464 2.100 0.682 0.551 0.852 0.459 CA 1.475 62 residues pruned to eliminate duplicates Z: 49 38.505 2.089 0.730 0.642 0.979 0.542 CA 1.375 49 residues pruned to eliminate duplicates Z: 66 46.612 2.138 0.729 0.579 0.923 0.554 CA 1.570 66 residues pruned to eliminate duplicates Z: 46 36.869 2.119 0.757 0.630 0.956 0.622 CA 1.367 46 residues pruned to eliminate duplicates Z: 66 42.659 2.141 0.616 0.586 0.938 0.523 CA 1.500 66 residues pruned to eliminate duplicates Z: 25 18.553 2.038 0.612 0.338 0.833 0.375 CA 1.650 25 residues pruned to eliminate duplicates Z: 67 43.213 2.129 0.603 0.598 0.924 0.545 CA 1.536 67 residues pruned to eliminate duplicates Z: 67 47.752 2.123 0.720 0.599 0.970 0.561 CA 1.511 67 residues pruned to eliminate duplicates Z: 7 4.424 1.522 0.889 0.405 0.667 0.167 C 1.040 7 residues pruned to eliminate duplicates Z: 27 21.008 2.027 0.622 0.356 0.885 0.538 CB 1.655 27 residues pruned to eliminate duplicates Z: 18 14.148 2.071 0.388 0.356 0.882 0.471 CA 1.580 18 residues pruned to eliminate duplicates Z: 19 14.759 2.005 0.384 0.349 0.889 0.500 CB 1.661 19 residues pruned to eliminate duplicates Z: 18 18.649 2.108 0.626 0.379 0.941 0.588 CA 1.595 18 residues pruned to eliminate duplicates Z: 24 21.653 2.137 0.551 0.454 0.913 0.609 CA 1.563 24 residues pruned to eliminate duplicates Z: 12 11.822 1.992 0.409 0.582 0.818 0.545 CA 1.435 12 residues pruned to eliminate duplicates Z: 24 23.466 2.154 0.642 0.467 0.870 0.478 CA 1.644 24 residues pruned to eliminate duplicates Z: 11 14.142 1.804 0.528 0.830 1.000 0.500 CA 1.220 11 residues pruned to eliminate duplicates Z: 32 21.008 2.100 0.463 0.411 0.839 0.516 CB 1.607 33 residues pruned to eliminate duplicates Z: 10 16.840 1.894 0.904 0.753 1.000 0.444 CA 1.242 11 residues pruned to eliminate duplicates Z: 10 20.092 1.954 0.849 0.835 1.000 0.556 CA 1.389 10 residues pruned to eliminate duplicates Z: 63 39.963 2.095 0.715 0.558 0.855 0.548 CB 1.563 63 residues pruned to eliminate duplicates Z: 7 4.294 1.988 0.473 0.238 0.667 0.500 CB 1.217 4 residues pruned to eliminate duplicates Z: 12 20.724 2.017 0.855 0.675 1.000 0.455 CA 1.421 14 residues pruned to eliminate duplicates Z: 13 12.947 1.904 0.427 0.559 0.917 0.417 CA 1.416 13 residues pruned to eliminate duplicates Z: 16 10.512 1.850 0.449 0.412 0.933 0.667 CA 1.190 15 residues pruned to eliminate duplicates Z: 15 9.569 1.942 0.449 0.337 0.786 0.571 CB 1.383 15 residues pruned to eliminate duplicates Z: 15 12.108 1.920 0.613 0.404 0.857 0.500 CB 1.349 15 residues pruned to eliminate duplicates Z: 14 16.623 2.071 0.499 0.413 1.000 0.462 CA 1.627 14 residues pruned to eliminate duplicates Z: 8 3.342 1.616 0.324 0.587 0.857 0.857 CB 0.634 8 residues pruned to eliminate duplicates Z: 14 12.636 2.048 0.493 0.394 0.846 0.615 CA 1.515 14 residues pruned to eliminate duplicates Z: 7 9.527 2.018 0.827 0.438 0.833 0.500 CB 1.349 7 residues pruned to eliminate duplicates Z: 14 12.570 2.047 0.501 0.371 0.923 0.692 CA 1.411 14 residues pruned to eliminate duplicates Z: 12 16.753 2.228 0.447 0.380 1.000 0.545 CB 1.780 13 residues pruned to eliminate duplicates Z: 13 12.701 2.139 0.394 0.328 0.917 0.417 CA 1.620 13 residues pruned to eliminate duplicates Z: 16 5.759 1.735 0.506 0.129 0.867 0.400 CB 1.044 16 residues pruned to eliminate duplicates Z: 14 5.456 1.658 0.531 0.146 0.846 0.231 CA 1.091 14 residues pruned to eliminate duplicates Z: 9 4.725 1.791 0.498 0.232 0.750 0.375 N 1.133 9 residues pruned to eliminate duplicates Z: 17 11.342 1.865 0.584 0.236 1.000 0.250 CB 1.303 16 residues pruned to eliminate duplicates Z: 8 5.637 1.775 0.249 0.490 1.000 0.286 CB 0.971 8 residues pruned to eliminate duplicates Z: 18 5.423 1.748 0.302 0.133 0.765 0.235 CB 1.194 18 residues pruned to eliminate duplicates Z: 11 6.042 1.936 0.220 0.244 0.800 0.400 CB 1.360 11 residues pruned to eliminate duplicates Z: 15 7.092 1.816 0.402 0.303 0.786 0.357 CB 1.180 12 residues pruned to eliminate duplicates Z: 8 7.113 1.525 0.624 0.571 1.000 0.571 CA 1.014 8 residues pruned to eliminate duplicates Z: 14 7.739 1.794 0.190 0.411 0.923 0.308 CB 1.195 11 residues pruned to eliminate duplicates Z: 6 5.339 1.566 0.814 0.376 1.000 0.600 N 0.959 7 residues pruned to eliminate duplicates Z: 6 4.473 1.532 0.614 0.326 1.000 0.800 CA 0.980 6 residues pruned to eliminate duplicates Z: 46 39.350 2.161 0.634 0.655 0.956 0.689 CA 1.505 46 residues pruned to eliminate duplicates Z: 23 14.048 2.015 0.571 0.340 0.909 0.545 CA 1.239 23 residues pruned to eliminate duplicates Z: 26 29.574 2.179 0.662 0.695 0.960 0.480 CA 1.423 26 residues pruned to eliminate duplicates Z: 24 18.055 2.037 0.705 0.393 0.913 0.435 CA 1.329 24 residues pruned to eliminate duplicates Z: 27 28.351 2.177 0.564 0.636 0.923 0.654 CA 1.557 27 residues pruned to eliminate duplicates Z: 80 43.881 2.203 0.519 0.495 0.899 0.494 CA 1.649 80 residues pruned to eliminate duplicates Z: 39 43.636 2.253 0.805 0.641 0.947 0.526 CA 1.610 39 residues pruned to eliminate duplicates Z: 71 45.291 2.191 0.619 0.519 0.929 0.514 CA 1.613 71 residues pruned to eliminate duplicates Z: 44 47.189 2.252 0.754 0.654 0.930 0.558 CA 1.696 44 residues pruned to eliminate duplicates Z: 86 45.819 2.181 0.493 0.507 0.918 0.588 CA 1.652 86 residues pruned to eliminate duplicates Z: 45 45.513 2.221 0.696 0.642 0.977 0.545 CB 1.633 45 residues pruned to eliminate duplicates Z: 58 36.135 2.124 0.433 0.553 0.947 0.526 CA 1.577 58 residues pruned to eliminate duplicates Z: 61 46.696 2.230 0.628 0.563 0.950 0.483 CA 1.645 61 residues pruned to eliminate duplicates Z: 71 45.910 2.229 0.578 0.544 0.914 0.500 CA 1.635 71 residues pruned to eliminate duplicates Z: 43 42.970 2.230 0.603 0.651 0.976 0.476 CA 1.652 43 residues pruned to eliminate duplicates Z: 62 42.843 2.194 0.563 0.551 0.984 0.525 CA 1.547 62 residues pruned to eliminate duplicates Z: 51 41.676 2.198 0.579 0.587 0.960 0.460 CA 1.627 51 residues pruned to eliminate duplicates Z: 65 43.442 2.129 0.601 0.574 0.938 0.500 CB 1.581 78 residues pruned to eliminate duplicates Z: 56 41.531 2.156 0.539 0.592 0.964 0.509 CB 1.603 56 residues pruned to eliminate duplicates Z: 60 46.817 2.246 0.604 0.564 0.966 0.458 CA 1.647 60 residues pruned to eliminate duplicates Z: 63 47.454 2.235 0.617 0.556 0.952 0.532 CA 1.659 63 residues pruned to eliminate duplicates Z: 69 47.685 2.245 0.587 0.533 0.941 0.485 CA 1.671 69 residues pruned to eliminate duplicates Z: 99 50.904 2.175 0.525 0.571 0.878 0.541 CA 1.649 98 residues pruned to eliminate duplicates Z: 22 40.580 2.311 0.798 0.837 0.952 0.714 CA 1.674 22 residues pruned to eliminate duplicates Z: 45 45.175 2.243 0.677 0.641 0.977 0.523 CA 1.625 45 residues pruned to eliminate duplicates Z: 74 43.842 2.214 0.523 0.504 0.918 0.507 CA 1.652 74 residues pruned to eliminate duplicates Z: 42 46.038 2.271 0.665 0.688 0.976 0.512 CA 1.641 42 residues pruned to eliminate duplicates Z: 14 12.410 2.134 0.634 0.318 0.769 0.462 CA 1.568 14 residues pruned to eliminate duplicates Z: 54 43.110 2.198 0.588 0.587 0.962 0.434 CA 1.622 54 residues pruned to eliminate duplicates Z: 46 42.401 2.179 0.660 0.638 0.978 0.556 CA 1.570 46 residues pruned to eliminate duplicates Z: 43 40.402 2.232 0.650 0.653 0.929 0.619 CA 1.581 43 residues pruned to eliminate duplicates Z: 63 42.050 2.145 0.586 0.526 0.952 0.581 CA 1.607 63 residues pruned to eliminate duplicates Z: 84 45.433 2.188 0.531 0.511 0.940 0.506 CA 1.566 71 residues pruned to eliminate duplicates Z: 11 13.880 2.139 0.135 0.766 1.000 0.300 CB 1.428 11 residues pruned to eliminate duplicates Z: 46 42.103 2.218 0.702 0.635 0.933 0.511 CA 1.569 46 residues pruned to eliminate duplicates Z: 67 40.880 2.188 0.605 0.491 0.924 0.545 CA 1.564 67 residues pruned to eliminate duplicates Z: 53 42.303 2.174 0.639 0.593 0.962 0.462 CA 1.567 53 residues pruned to eliminate duplicates Z: 88 52.428 2.199 0.577 0.536 0.931 0.529 CA 1.681 88 residues pruned to eliminate duplicates Z: 50 48.637 2.255 0.728 0.636 0.939 0.490 CA 1.672 50 residues pruned to eliminate duplicates Z: 12 8.504 1.896 0.274 0.400 0.909 0.455 CB 1.297 12 residues pruned to eliminate duplicates Z: 47 27.036 2.151 0.472 0.389 0.870 0.435 CB 1.628 47 residues pruned to eliminate duplicates Z: 80 48.151 2.186 0.612 0.507 0.911 0.608 CA 1.674 80 residues pruned to eliminate duplicates Z: 61 46.163 2.242 0.591 0.556 0.967 0.650 CA 1.636 61 residues pruned to eliminate duplicates Z: 66 34.186 2.177 0.315 0.455 0.908 0.508 CA 1.708 66 residues pruned to eliminate duplicates Z: 88 50.814 2.207 0.531 0.515 0.943 0.460 CA 1.685 101 residues pruned to eliminate duplicates Z: 6 5.947 1.852 0.804 0.222 1.000 0.400 CA 1.103 6 residues pruned to eliminate duplicates Z: 43 25.325 2.143 0.436 0.343 0.881 0.476 CA 1.710 43 residues pruned to eliminate duplicates Z: 71 36.982 2.125 0.629 0.468 0.871 0.400 CB 1.514 71 residues pruned to eliminate duplicates Z: 107 45.789 2.129 0.433 0.540 0.877 0.528 CA 1.598 107 residues pruned to eliminate duplicates Z: 70 47.809 2.235 0.593 0.543 0.971 0.449 CA 1.595 70 residues pruned to eliminate duplicates Z: 46 28.973 2.146 0.473 0.404 0.911 0.511 CB 1.658 46 residues pruned to eliminate duplicates Z: 29 21.458 2.195 0.506 0.343 0.893 0.571 CA 1.631 29 residues pruned to eliminate duplicates Z: 47 30.399 2.156 0.337 0.531 0.913 0.587 CA 1.653 47 residues pruned to eliminate duplicates Z: 49 25.689 2.145 0.362 0.356 0.875 0.521 CB 1.694 49 residues pruned to eliminate duplicates Z: 89 48.887 2.187 0.551 0.518 0.920 0.489 CA 1.640 89 residues pruned to eliminate duplicates Z: 71 40.125 2.156 0.617 0.480 0.871 0.414 CA 1.611 71 residues pruned to eliminate duplicates Z: 95 52.281 2.188 0.477 0.583 0.926 0.511 CA 1.664 95 residues pruned to eliminate duplicates Z: 26 14.197 2.021 0.236 0.359 0.840 0.440 CA 1.576 26 residues pruned to eliminate duplicates Z: 86 43.217 2.184 0.519 0.495 0.906 0.494 CA 1.567 86 residues pruned to eliminate duplicates Z: 95 44.233 2.178 0.438 0.498 0.883 0.500 CA 1.652 95 residues pruned to eliminate duplicates Z: 8 5.795 1.561 0.642 0.511 0.714 0.714 CA 1.183 8 residues pruned to eliminate duplicates Z: 48 29.836 2.217 0.339 0.435 0.894 0.574 CA 1.755 48 residues pruned to eliminate duplicates Z: 26 19.708 2.099 0.070 0.746 0.880 0.760 CB 1.600 26 residues pruned to eliminate duplicates Z: 87 44.894 2.200 0.509 0.494 0.907 0.500 CA 1.617 87 residues pruned to eliminate duplicates Z: 104 47.243 2.170 0.451 0.501 0.883 0.563 CA 1.672 104 residues pruned to eliminate duplicates Z: 22 14.618 2.067 0.081 0.499 0.810 0.619 CB 1.766 22 residues pruned to eliminate duplicates Z: 82 47.363 2.210 0.558 0.523 0.901 0.531 CA 1.659 82 residues pruned to eliminate duplicates Z: 14 11.967 1.999 0.247 0.486 0.846 0.538 N 1.595 14 residues pruned to eliminate duplicates Z: 59 30.625 2.136 0.509 0.397 0.828 0.414 CA 1.680 59 residues pruned to eliminate duplicates Z: 13 8.973 1.962 0.113 0.497 0.833 0.500 N 1.428 13 residues pruned to eliminate duplicates Z: 35 21.514 2.066 0.146 0.641 0.882 0.647 CB 1.549 35 residues pruned to eliminate duplicates Z: 35 23.300 2.079 0.230 0.620 0.882 0.647 CA 1.581 35 residues pruned to eliminate duplicates Z: 17 12.042 2.043 -0.024 0.536 0.875 0.562 N 1.665 17 residues pruned to eliminate duplicates Z: 59 28.318 2.081 0.377 0.496 0.810 0.569 CA 1.608 59 residues pruned to eliminate duplicates Z: 13 11.588 2.153 0.154 0.498 0.750 0.750 N 1.798 13 residues pruned to eliminate duplicates Z: 101 51.520 2.196 0.472 0.562 0.930 0.590 CA 1.614 101 residues pruned to eliminate duplicates Z: 27 24.598 2.102 0.443 0.644 0.846 0.615 CB 1.643 27 residues pruned to eliminate duplicates Z: 99 47.404 2.209 0.408 0.550 0.888 0.582 CB 1.652 99 residues pruned to eliminate duplicates Z: 20 22.048 2.154 0.411 0.715 0.947 0.684 CB 1.446 20 residues pruned to eliminate duplicates Z: 24 26.605 2.207 0.398 0.698 0.913 0.652 CB 1.644 24 residues pruned to eliminate duplicates Z: 34 26.505 2.063 0.470 0.635 0.848 0.606 CB 1.579 34 residues pruned to eliminate duplicates Z: 27 21.923 2.056 0.465 0.648 0.885 0.731 CB 1.405 27 residues pruned to eliminate duplicates Z: 20 25.791 2.180 0.647 0.716 0.895 0.632 CB 1.515 20 residues pruned to eliminate duplicates Z: 47 26.215 2.050 0.489 0.574 0.913 0.543 CB 1.292 47 residues pruned to eliminate duplicates Z: 35 26.166 2.028 0.535 0.599 0.882 0.529 CB 1.487 35 residues pruned to eliminate duplicates Z: 29 22.627 2.074 0.533 0.620 0.786 0.536 CB 1.529 29 residues pruned to eliminate duplicates Z: 11 4.597 1.914 0.017 0.439 0.600 0.400 CA 1.326 11 residues pruned to eliminate duplicates Z: 10 5.795 1.757 0.438 0.450 0.667 0.333 CA 1.207 10 residues pruned to eliminate duplicates Z: 36 28.711 2.055 0.513 0.620 0.914 0.514 CB 1.524 36 residues pruned to eliminate duplicates Z: 49 25.394 2.100 0.459 0.540 0.833 0.479 CB 1.381 49 residues pruned to eliminate duplicates Z: 39 24.906 2.012 0.439 0.590 0.842 0.500 CB 1.521 39 residues pruned to eliminate duplicates Z: 126 48.367 2.113 0.478 0.501 0.904 0.464 CB 1.531 126 residues pruned to eliminate duplicates Z: 14 8.875 1.878 0.371 0.388 0.769 0.231 CB 1.400 14 residues pruned to eliminate duplicates Z: 12 4.328 1.823 -0.005 0.320 0.818 0.273 CA 1.073 12 residues pruned to eliminate duplicates Z: 55 20.589 1.981 0.354 0.487 0.796 0.315 CB 1.328 55 residues pruned to eliminate duplicates Z: 9 5.898 1.890 0.074 0.435 0.875 0.375 CA 1.255 9 residues pruned to eliminate duplicates Z: 24 11.599 1.976 0.315 0.348 0.870 0.565 CB 1.262 24 residues pruned to eliminate duplicates Z: 56 26.490 2.048 0.472 0.544 0.836 0.527 CB 1.357 56 residues pruned to eliminate duplicates Z: 81 29.874 2.094 0.402 0.430 0.812 0.375 CB 1.506 81 residues pruned to eliminate duplicates Z: 23 10.239 2.043 0.242 0.319 0.818 0.500 CB 1.283 23 residues pruned to eliminate duplicates Z: 20 10.548 2.009 0.376 0.419 0.842 0.579 CB 1.130 20 residues pruned to eliminate duplicates Z: 23 10.927 1.908 0.305 0.436 0.818 0.500 CB 1.222 23 residues pruned to eliminate duplicates Z: 15 10.616 1.988 0.457 0.417 0.929 0.500 CB 1.151 15 residues pruned to eliminate duplicates Z: 18 12.402 1.990 0.284 0.507 0.941 0.529 CB 1.242 18 residues pruned to eliminate duplicates Z: 25 12.298 1.922 0.391 0.375 0.792 0.542 CB 1.355 25 residues pruned to eliminate duplicates Z: 23 11.059 1.934 0.274 0.408 0.955 0.409 CB 1.104 23 residues pruned to eliminate duplicates Z: 27 11.168 1.946 0.308 0.370 0.808 0.346 CB 1.225 27 residues pruned to eliminate duplicates Z: 19 10.099 1.865 0.301 0.391 0.889 0.722 CB 1.239 19 residues pruned to eliminate duplicates Z: 6 10.157 2.034 0.763 0.407 1.000 0.600 CB 1.397 6 residues pruned to eliminate duplicates Z: 34 14.204 1.983 0.475 0.472 0.758 0.364 CB 1.148 34 residues pruned to eliminate duplicates Z: 12 10.318 2.007 0.396 0.389 0.909 0.364 CB 1.375 12 residues pruned to eliminate duplicates Z: 19 10.608 1.830 0.255 0.330 0.889 0.389 CB 1.475 19 residues pruned to eliminate duplicates Z: 164 54.423 2.102 0.486 0.493 0.853 0.436 CB 1.612 164 residues pruned to eliminate duplicates Z: 17 9.954 1.913 0.322 0.312 0.812 0.438 CB 1.492 17 residues pruned to eliminate duplicates Z: 14 3.616 1.716 0.214 0.105 0.615 0.231 CB 1.292 14 residues pruned to eliminate duplicates Z: 18 8.608 1.849 0.294 0.374 0.706 0.353 CB 1.415 18 residues pruned to eliminate duplicates Z: 8 4.910 1.976 0.169 0.248 0.714 0.429 CA 1.504 8 residues pruned to eliminate duplicates Z: 12 2.512 1.789 0.170 0.143 0.636 0.182 CA 0.884 12 residues pruned to eliminate duplicates Z: 6 3.095 1.947 -0.033 0.120 0.800 0.400 CA 1.481 6 residues pruned to eliminate duplicates Z: 16 8.670 1.908 0.212 0.397 0.733 0.333 CA 1.473 16 residues pruned to eliminate duplicates Z: 17 10.200 1.929 0.286 0.364 0.812 0.500 CA 1.464 17 residues pruned to eliminate duplicates Z: 27 14.061 1.971 0.533 0.314 0.808 0.346 CA 1.388 27 residues pruned to eliminate duplicates Z: 15 10.435 2.005 0.457 0.430 0.786 0.357 CA 1.307 15 residues pruned to eliminate duplicates Z: 12 6.881 1.860 0.291 0.401 0.818 0.364 CB 1.173 12 residues pruned to eliminate duplicates Z: 23 15.229 2.014 0.452 0.333 0.955 0.409 CA 1.396 23 residues pruned to eliminate duplicates Z: 14 6.897 1.940 0.118 0.300 0.923 0.385 CA 1.195 14 residues pruned to eliminate duplicates Z: 32 20.286 2.073 0.440 0.371 0.871 0.452 CA 1.608 32 residues pruned to eliminate duplicates Z: 7 5.134 1.858 0.203 0.541 0.833 0.333 N 1.081 7 residues pruned to eliminate duplicates Z: 19 11.999 2.008 0.454 0.348 0.889 0.500 CA 1.285 19 residues pruned to eliminate duplicates Z: 30 19.887 2.017 0.642 0.341 0.828 0.379 CA 1.602 30 residues pruned to eliminate duplicates Z: 11 8.990 2.030 0.411 0.238 1.000 0.600 CA 1.345 11 residues pruned to eliminate duplicates Z: 19 17.948 2.083 0.607 0.383 1.000 0.444 CA 1.431 19 residues pruned to eliminate duplicates Z: 10 9.306 2.125 0.424 0.246 0.889 0.444 CA 1.546 10 residues pruned to eliminate duplicates Z: 31 21.807 2.072 0.588 0.399 0.867 0.600 CA 1.552 31 residues pruned to eliminate duplicates Z: 20 10.857 1.998 0.416 0.330 0.737 0.474 CA 1.440 20 residues pruned to eliminate duplicates Z: 49 30.530 2.097 0.493 0.496 0.896 0.646 CA 1.577 49 residues pruned to eliminate duplicates Z: 54 37.734 2.101 0.455 0.586 0.943 0.717 CA 1.655 54 residues pruned to eliminate duplicates Z: 55 31.963 2.026 0.484 0.553 0.889 0.593 CA 1.546 55 residues pruned to eliminate duplicates Z: 65 34.248 1.972 0.573 0.531 0.906 0.594 CA 1.478 65 residues pruned to eliminate duplicates Z: 42 22.858 1.947 0.574 0.433 0.878 0.537 CA 1.421 42 residues pruned to eliminate duplicates Z: 19 18.951 2.126 0.685 0.382 0.944 0.667 CA 1.497 19 residues pruned to eliminate duplicates Z: 20 13.732 2.024 0.586 0.324 0.842 0.579 CA 1.415 20 residues pruned to eliminate duplicates Z: 36 24.128 2.069 0.582 0.416 0.886 0.543 CA 1.536 36 residues pruned to eliminate duplicates Z: 28 18.534 2.098 0.525 0.393 0.815 0.481 CA 1.532 28 residues pruned to eliminate duplicates Z: 11 8.935 1.985 0.486 0.471 0.800 0.600 CA 1.233 11 residues pruned to eliminate duplicates Z: 40 22.209 2.049 0.390 0.429 0.897 0.615 CA 1.497 40 residues pruned to eliminate duplicates Z: 31 15.649 1.994 0.473 0.306 0.833 0.533 CA 1.447 31 residues pruned to eliminate duplicates Z: 46 33.608 2.110 0.570 0.542 0.889 0.644 CA 1.632 46 residues pruned to eliminate duplicates Z: 36 28.551 2.044 0.518 0.626 0.886 0.600 CB 1.560 36 residues pruned to eliminate duplicates Z: 27 16.204 2.083 0.416 0.379 0.846 0.538 CA 1.450 27 residues pruned to eliminate duplicates Z: 14 19.719 2.131 0.579 0.541 1.000 0.692 CB 1.561 14 residues pruned to eliminate duplicates Z: 43 35.733 2.006 0.553 0.661 0.952 0.690 CA 1.601 43 residues pruned to eliminate duplicates Z: 44 35.429 2.001 0.582 0.647 0.930 0.558 CB 1.599 44 residues pruned to eliminate duplicates Z: 20 18.258 2.019 0.462 0.515 0.947 0.684 CB 1.476 20 residues pruned to eliminate duplicates Z: 44 35.330 2.005 0.542 0.635 0.953 0.605 CB 1.610 44 residues pruned to eliminate duplicates Z: 12 14.921 2.127 0.464 0.658 0.909 0.545 CB 1.372 12 residues pruned to eliminate duplicates Z: 29 36.172 2.042 0.691 0.744 1.000 0.857 CB 1.591 29 residues pruned to eliminate duplicates Z: 34 32.699 2.080 0.570 0.643 0.939 0.545 CB 1.623 34 residues pruned to eliminate duplicates Z: 12 16.057 2.214 0.521 0.645 0.818 0.636 CB 1.535 12 residues pruned to eliminate duplicates Z: 54 37.180 2.085 0.611 0.548 0.906 0.585 CA 1.601 54 residues pruned to eliminate duplicates Z: 32 32.145 2.034 0.676 0.629 0.903 0.581 CA 1.661 32 residues pruned to eliminate duplicates Z: 27 21.865 1.952 0.624 0.583 0.885 0.308 CB 1.413 27 residues pruned to eliminate duplicates Z: 32 33.797 2.033 0.796 0.616 0.968 0.581 CB 1.540 32 residues pruned to eliminate duplicates Z: 14 20.306 2.000 0.822 0.683 0.846 0.308 CB 1.544 14 residues pruned to eliminate duplicates Z: 36 33.274 2.087 0.664 0.677 0.857 0.486 CB 1.605 36 residues pruned to eliminate duplicates Z: 27 31.314 2.037 0.577 0.769 0.885 0.423 CA 1.702 27 residues pruned to eliminate duplicates Z: 29 33.678 2.040 0.734 0.724 0.893 0.429 CB 1.646 29 residues pruned to eliminate duplicates Z: 27 38.878 2.077 0.744 0.757 0.962 0.538 CB 1.742 27 residues pruned to eliminate duplicates Z: 16 18.840 1.946 0.734 0.662 0.800 0.400 CB 1.551 16 residues pruned to eliminate duplicates Z: 26 36.488 2.094 0.858 0.788 0.880 0.360 CB 1.654 26 residues pruned to eliminate duplicates Z: 52 30.974 1.898 0.752 0.570 0.843 0.353 CB 1.446 52 residues pruned to eliminate duplicates Z: 33 26.126 1.975 0.726 0.705 0.781 0.438 CB 1.440 33 residues pruned to eliminate duplicates Z: 66 31.308 2.005 0.520 0.479 0.846 0.415 CA 1.539 66 residues pruned to eliminate duplicates Z: 43 32.279 1.990 0.789 0.628 0.881 0.405 CB 1.408 43 residues pruned to eliminate duplicates Z: 26 20.531 1.870 0.721 0.643 0.760 0.160 CB 1.469 26 residues pruned to eliminate duplicates Z: 30 23.166 1.913 0.699 0.548 0.828 0.379 CB 1.526 30 residues pruned to eliminate duplicates Z: 19 24.376 1.945 0.634 0.770 0.833 0.500 CB 1.708 19 residues pruned to eliminate duplicates Z: 28 21.286 1.949 0.613 0.614 0.741 0.259 CB 1.579 28 residues pruned to eliminate duplicates Z: 47 33.777 2.013 0.702 0.603 0.870 0.326 CB 1.515 47 residues pruned to eliminate duplicates Z: 11 10.195 1.827 0.571 0.366 0.900 0.300 CB 1.442 11 residues pruned to eliminate duplicates Z: 15 4.654 1.684 0.607 0.235 0.500 0.071 CA 1.251 15 residues pruned to eliminate duplicates Z: 13 6.545 1.751 0.594 0.283 0.667 0.083 CA 1.296 13 residues pruned to eliminate duplicates Z: 8 6.955 1.849 0.643 0.474 0.714 0.286 CB 1.243 8 residues pruned to eliminate duplicates Z: 9 7.599 1.751 0.979 0.448 0.625 0.125 CB 1.309 9 residues pruned to eliminate duplicates Z: 7 5.447 1.323 0.802 0.697 0.833 0.000 N 0.935 7 residues pruned to eliminate duplicates Z: 9 7.007 1.814 0.664 0.329 0.750 0.375 CB 1.320 9 residues pruned to eliminate duplicates Z: 8 8.468 1.904 0.947 0.487 0.714 0.286 CB 1.224 8 residues pruned to eliminate duplicates Z: 10 5.046 1.661 0.293 0.618 0.778 0.556 CB 0.900 Z: 8 5.233 1.509 0.580 0.679 0.714 0.429 CB 0.986 7 residues pruned to eliminate duplicates Z: 17 7.568 1.862 0.347 0.364 0.812 0.375 CB 1.075 11 residues pruned to eliminate duplicates Z: 14 5.737 1.719 0.296 0.386 0.769 0.385 CA 1.048 14 residues pruned to eliminate duplicates Z: 15 5.012 1.719 0.309 0.313 0.714 0.214 CB 1.025 15 residues pruned to eliminate duplicates Z: 8 7.872 1.738 0.150 0.587 1.000 0.429 CA 1.370 11 residues pruned to eliminate duplicates Z: 6 7.862 1.838 0.272 0.763 1.000 0.600 CB 1.191 6 residues pruned to eliminate duplicates Z: 7 6.443 1.753 0.115 0.552 1.000 0.500 N 1.280 7 residues pruned to eliminate duplicates Z: 7 3.298 1.770 0.277 0.207 0.667 0.000 CA 1.264 7 residues pruned to eliminate duplicates Z: 10 9.455 1.797 0.455 0.462 0.889 0.444 CB 1.410 8 residues pruned to eliminate duplicates Z: 10 10.952 1.713 0.859 0.483 1.000 0.556 CB 1.167 10 residues pruned to eliminate duplicates Z: 11 10.046 2.174 0.327 0.397 0.700 0.500 CA 1.754 11 residues pruned to eliminate duplicates Z: 17 10.153 1.941 0.295 0.371 0.750 0.375 CB 1.546 17 residues pruned to eliminate duplicates Z: 17 11.209 2.023 0.190 0.432 0.812 0.562 CA 1.536 17 residues pruned to eliminate duplicates Z: 14 7.481 2.122 0.102 0.351 0.692 0.462 CA 1.506 14 residues pruned to eliminate duplicates Z: 12 11.211 2.230 0.604 0.334 0.636 0.364 N 1.781 12 residues pruned to eliminate duplicates Z: 13 11.555 2.170 0.392 0.372 0.750 0.333 CA 1.688 13 residues pruned to eliminate duplicates Z: 19 12.643 2.006 0.253 0.460 0.778 0.444 CA 1.588 19 residues pruned to eliminate duplicates Z: 13 13.436 2.116 0.427 0.463 0.833 0.500 CA 1.600 13 residues pruned to eliminate duplicates Z: 14 14.590 2.127 0.363 0.527 0.846 0.615 CA 1.606 18 residues pruned to eliminate duplicates Z: 9 9.688 1.868 0.120 0.635 1.000 0.500 CA 1.442 9 residues pruned to eliminate duplicates Z: 9 8.307 1.727 0.387 0.584 0.875 0.500 CA 1.293 9 residues pruned to eliminate duplicates Z: 21 13.371 1.934 0.300 0.515 0.800 0.300 CB 1.463 21 residues pruned to eliminate duplicates Z: 9 10.053 1.925 0.261 0.448 1.000 0.375 CA 1.543 9 residues pruned to eliminate duplicates Z: 15 6.873 1.738 0.352 0.332 0.857 0.571 CA 1.097 15 residues pruned to eliminate duplicates Z: 21 14.695 2.001 0.377 0.501 0.850 0.450 CA 1.401 21 residues pruned to eliminate duplicates Z: 22 14.523 1.986 0.341 0.519 0.857 0.476 CA 1.362 22 residues pruned to eliminate duplicates Z: 21 16.330 2.050 0.319 0.534 0.850 0.450 CA 1.537 20 residues pruned to eliminate duplicates Z: 13 19.138 1.992 0.699 0.799 0.833 0.500 CB 1.508 13 residues pruned to eliminate duplicates Z: 12 24.199 1.996 1.025 0.794 0.909 0.455 CA 1.535 12 residues pruned to eliminate duplicates Z: 9 24.039 2.080 0.610 0.886 1.000 0.875 O 1.832 9 residues pruned to eliminate duplicates Z: 25 19.411 1.979 0.617 0.480 0.833 0.333 CB 1.517 25 residues pruned to eliminate duplicates Z: 24 21.451 2.011 0.593 0.523 0.870 0.391 CB 1.570 24 residues pruned to eliminate duplicates Z: 11 20.625 2.019 0.545 0.869 1.000 0.300 CB 1.527 11 residues pruned to eliminate duplicates Z: 27 19.173 2.104 0.553 0.422 0.846 0.346 CA 1.474 50 residues pruned to eliminate duplicates Z: 22 22.584 2.002 0.552 0.552 0.952 0.429 CA 1.584 Z: 11 20.294 2.032 0.716 0.886 0.900 0.300 CB 1.475 11 residues pruned to eliminate duplicates Z: 8 3.316 1.576 0.413 0.253 0.714 0.286 CA 1.047 6 residues pruned to eliminate duplicates Z: 12 9.752 1.895 0.623 0.507 0.818 0.545 CB 1.160 12 residues pruned to eliminate duplicates Z: 10 9.852 2.020 0.761 0.532 0.778 0.556 CB 1.151 10 residues pruned to eliminate duplicates Z: 12 8.398 1.933 0.684 0.488 0.727 0.545 CB 1.082 12 residues pruned to eliminate duplicates Z: 12 7.403 1.910 0.573 0.423 0.727 0.455 CB 1.106 12 residues pruned to eliminate duplicates Z: 17 9.709 2.032 0.608 0.314 0.688 0.500 CB 1.327 19 residues pruned to eliminate duplicates Z: 12 6.400 1.916 0.377 0.442 0.727 0.364 CB 1.068 12 residues pruned to eliminate duplicates Z: 19 8.373 1.947 0.494 0.411 0.667 0.500 CB 1.118 19 residues pruned to eliminate duplicates Z: 10 6.765 2.053 0.569 0.337 0.556 0.444 CB 1.505 10 residues pruned to eliminate duplicates Z: 10 3.702 1.970 0.531 0.331 0.333 0.333 CA 1.477 10 residues pruned to eliminate duplicates Z: 19 8.722 1.974 0.552 0.488 0.667 0.444 CB 1.018 19 residues pruned to eliminate duplicates Z: 18 5.332 1.864 0.003 0.240 0.706 0.412 CB 1.325 18 residues pruned to eliminate duplicates Z: 23 9.440 1.918 0.282 0.379 0.773 0.500 CB 1.205 23 residues pruned to eliminate duplicates Z: 22 9.736 1.973 0.271 0.400 0.762 0.619 CB 1.236 22 residues pruned to eliminate duplicates Z: 19 5.401 1.791 0.045 0.272 0.722 0.389 CB 1.220 19 residues pruned to eliminate duplicates Z: 16 6.269 1.854 0.236 0.201 0.667 0.533 CB 1.513 16 residues pruned to eliminate duplicates Z: 22 9.513 1.873 0.184 0.400 0.857 0.571 CB 1.213 23 residues pruned to eliminate duplicates Z: 13 6.193 1.693 0.122 0.322 0.917 0.333 CB 1.248 20 residues pruned to eliminate duplicates Z: 19 11.058 1.832 0.226 0.364 0.944 0.444 CA 1.422 19 residues pruned to eliminate duplicates Z: 25 11.901 1.800 0.393 0.323 0.792 0.333 CB 1.488 31 residues pruned to eliminate duplicates Z: 17 7.920 1.802 0.442 0.179 0.812 0.375 CA 1.382 16 residues pruned to eliminate duplicates Z: 6 4.199 1.499 0.632 0.544 0.800 0.600 CA 0.919 6 residues pruned to eliminate duplicates Z: 13 10.953 1.930 0.283 0.404 0.917 0.333 CA 1.541 13 residues pruned to eliminate duplicates Z: 35 16.603 1.940 0.439 0.337 0.824 0.412 CB 1.479 35 residues pruned to eliminate duplicates Z: 16 12.532 1.880 0.395 0.393 0.933 0.533 CA 1.479 17 residues pruned to eliminate duplicates Z: 16 10.976 1.910 0.375 0.283 0.933 0.333 CA 1.478 16 residues pruned to eliminate duplicates Z: 15 10.132 1.832 0.245 0.410 1.000 0.500 CA 1.304 15 residues pruned to eliminate duplicates Z: 14 13.287 1.898 0.206 0.514 1.000 0.538 C 1.588 14 residues pruned to eliminate duplicates Z: 16 8.897 1.921 0.284 0.367 0.800 0.400 CA 1.344 16 residues pruned to eliminate duplicates Z: 13 11.367 1.981 0.254 0.423 1.000 0.333 CA 1.431 13 residues pruned to eliminate duplicates Z: 14 12.444 1.939 0.287 0.413 1.000 0.385 CA 1.514 14 residues pruned to eliminate duplicates Z: 17 9.989 1.851 0.220 0.321 0.938 0.562 CA 1.438 17 residues pruned to eliminate duplicates 545 residues left after pruning, divided into chains as follows: A: 17 B: 18 C: 8 D: 9 E: 10 F: 11 G: 37 H: 7 I: 26 J: 86 K: 13 L: 13 M: 200 N: 14 O: 22 P: 20 Q: 34 CC for partial structure against native data = 19.52 % ------------------------------------------------------------------------------ Global autotracing cycle 24 = 0.300, Contrast = 0.416, Connect. = 0.682 for dens.mod. cycle 1 = 0.300, Contrast = 0.477, Connect. = 0.703 for dens.mod. cycle 2 = 0.300, Contrast = 0.550, Connect. = 0.737 for dens.mod. cycle 3 = 0.300, Contrast = 0.556, Connect. = 0.742 for dens.mod. cycle 4 = 0.300, Contrast = 0.563, Connect. = 0.746 for dens.mod. cycle 5 = 0.300, Contrast = 0.567, Connect. = 0.750 for dens.mod. cycle 6 = 0.300, Contrast = 0.571, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.573, Connect. = 0.755 for dens.mod. cycle 8 = 0.300, Contrast = 0.574, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.574, Connect. = 0.758 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6907 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1213 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 9 19.356 2.367 0.210 0.888 1.000 0.875 CB 1.721 B: 15 22.902 2.228 0.419 0.915 1.000 0.714 CB 1.367 9 residues pruned to eliminate duplicates C: 14 22.463 2.009 0.616 0.884 1.000 0.769 CA 1.386 D: 17 17.550 2.147 0.095 0.860 1.000 0.750 CB 1.372 17 residues pruned to eliminate duplicates E: 21 40.884 2.231 0.896 0.933 1.000 0.850 CA 1.509 13 residues pruned to eliminate duplicates F: 74 43.982 2.219 0.564 0.512 0.932 0.534 CA 1.572 22 residues pruned to eliminate duplicates G: 11 17.472 1.985 0.432 0.884 0.900 0.700 CA 1.560 H: 13 25.253 1.947 0.862 0.908 1.000 0.833 CB 1.429 I: 12 28.497 2.056 0.964 0.921 1.000 0.909 CB 1.497 13 residues pruned to eliminate duplicates J: 10 11.207 1.961 0.355 0.828 0.778 0.444 CA 1.361 10 residues pruned to eliminate duplicates K: 10 22.361 2.220 0.446 0.922 1.000 0.889 CA 1.633 10 residues pruned to eliminate duplicates L: 9 15.253 2.313 0.152 0.877 1.000 0.875 CB 1.470 8 residues pruned to eliminate duplicates M: 30 15.578 1.971 0.470 0.292 0.828 0.414 CB 1.524 N: 11 7.167 1.976 0.054 0.455 0.700 0.400 N 1.628 O: 22 37.402 2.135 0.858 0.909 1.000 0.857 CA 1.461 22 residues pruned to eliminate duplicates P: 7 3.470 1.828 -0.143 0.484 0.667 0.500 CB 1.379 Q: 6 7.296 2.072 0.116 0.565 0.800 0.600 CB 1.656 7 residues pruned to eliminate duplicates R: 21 37.720 2.113 0.592 0.908 1.000 0.700 CB 1.781 S: 22 34.202 2.048 0.728 0.897 1.000 0.619 CB 1.509 22 residues pruned to eliminate duplicates T: 39 21.058 2.055 0.335 0.505 0.842 0.632 CA 1.471 U: 12 5.733 1.769 0.178 0.421 0.727 0.455 CB 1.238 12 residues pruned to eliminate duplicates V: 14 24.855 2.095 0.681 0.885 1.000 0.615 CB 1.413 14 residues pruned to eliminate duplicates W: 22 46.625 2.238 0.958 0.941 1.000 0.810 CA 1.612 34 residues pruned to eliminate duplicates X: 9 9.908 1.888 0.323 0.507 1.000 0.750 CB 1.393 Y: 21 39.025 2.251 0.706 0.931 1.000 0.950 CA 1.588 21 residues pruned to eliminate duplicates Z: 15 10.653 2.023 0.573 0.340 0.786 0.643 CB 1.355 Z: 18 25.199 2.078 0.534 0.875 0.941 0.765 CB 1.481 16 residues pruned to eliminate duplicates Z: 23 34.387 2.026 0.614 0.915 0.955 0.864 CB 1.661 22 residues pruned to eliminate duplicates Z: 6 5.704 1.564 0.123 0.745 1.000 0.600 N 1.166 Z: 12 8.552 1.863 0.256 0.451 0.818 0.364 CA 1.417 12 residues pruned to eliminate duplicates Z: 9 10.799 1.968 0.161 0.644 0.875 0.500 CA 1.669 9 residues pruned to eliminate duplicates Z: 35 25.615 2.164 0.189 0.597 0.912 0.618 CA 1.707 25 residues pruned to eliminate duplicates Z: 17 16.611 2.128 0.243 0.850 0.875 0.750 CB 1.329 17 residues pruned to eliminate duplicates Z: 10 24.580 2.189 1.069 0.808 1.000 0.333 CB 1.384 10 residues pruned to eliminate duplicates Z: 22 44.237 2.238 0.858 0.915 1.000 0.571 CA 1.641 22 residues pruned to eliminate duplicates Z: 129 50.956 2.150 0.455 0.523 0.867 0.539 CB 1.622 101 residues pruned to eliminate duplicates Z: 9 11.451 2.180 0.225 0.782 0.750 0.500 CA 1.577 9 residues pruned to eliminate duplicates Z: 100 47.628 2.211 0.433 0.561 0.869 0.576 CA 1.639 100 residues pruned to eliminate duplicates Z: 18 17.617 2.067 0.375 0.870 0.882 0.824 CB 1.244 18 residues pruned to eliminate duplicates Z: 54 34.716 2.175 0.513 0.577 0.868 0.566 CB 1.550 54 residues pruned to eliminate duplicates Z: 68 40.016 2.076 0.583 0.579 0.925 0.597 CA 1.490 12 residues pruned to eliminate duplicates Z: 7 8.889 2.000 0.516 0.852 1.000 0.833 CB 0.885 7 residues pruned to eliminate duplicates Z: 12 15.899 2.130 0.340 0.839 1.000 0.727 CB 1.254 12 residues pruned to eliminate duplicates Z: 11 16.310 2.127 0.554 0.867 0.900 0.400 CB 1.269 11 residues pruned to eliminate duplicates Z: 18 22.822 2.058 0.606 0.878 1.000 0.647 CA 1.215 18 residues pruned to eliminate duplicates Z: 22 8.287 1.912 0.208 0.292 0.667 0.429 CA 1.482 Z: 22 32.957 2.124 0.448 0.881 0.952 0.619 CA 1.778 21 residues pruned to eliminate duplicates Z: 17 10.564 1.933 0.302 0.465 0.938 0.625 CB 1.159 17 residues pruned to eliminate duplicates Z: 22 43.993 2.198 0.940 0.928 1.000 0.619 CA 1.576 22 residues pruned to eliminate duplicates Z: 23 36.455 2.142 0.858 0.915 1.000 0.818 CA 1.381 23 residues pruned to eliminate duplicates Z: 14 24.445 2.231 0.796 0.921 1.000 0.769 CB 1.191 14 residues pruned to eliminate duplicates Z: 23 38.259 2.099 0.775 0.866 1.000 0.591 CA 1.602 24 residues pruned to eliminate duplicates Z: 14 19.503 1.999 0.711 0.828 0.769 0.308 CB 1.548 14 residues pruned to eliminate duplicates Z: 14 8.876 2.061 0.071 0.827 0.769 0.462 CB 1.092 14 residues pruned to eliminate duplicates Z: 22 31.523 2.045 0.461 0.892 1.000 0.762 CA 1.654 22 residues pruned to eliminate duplicates Z: 12 12.751 2.049 0.529 0.411 0.909 0.545 CB 1.482 13 residues pruned to eliminate duplicates Z: 20 13.100 2.035 0.129 0.507 0.842 0.684 CA 1.542 22 residues pruned to eliminate duplicates Z: 10 13.165 1.852 0.563 0.803 0.889 0.778 CA 1.308 6 residues pruned to eliminate duplicates Z: 9 7.019 1.839 0.383 0.545 0.875 0.750 CA 1.068 Z: 11 7.760 1.683 0.256 0.572 0.900 0.600 CB 1.203 Z: 57 31.667 2.018 0.533 0.514 0.875 0.643 CA 1.541 37 residues pruned to eliminate duplicates Z: 9 9.421 2.079 0.284 0.611 1.000 1.000 CB 1.122 Z: 22 42.566 2.201 0.824 0.917 1.000 0.810 CA 1.633 22 residues pruned to eliminate duplicates Z: 12 9.726 2.020 0.168 0.837 0.818 0.636 CB 1.137 12 residues pruned to eliminate duplicates Z: 8 6.354 1.903 0.476 0.429 0.714 0.571 N 1.288 8 residues pruned to eliminate duplicates Z: 9 11.108 1.848 0.438 0.621 0.875 0.625 CB 1.506 Z: 11 23.268 2.213 0.468 0.912 1.000 0.800 CB 1.604 11 residues pruned to eliminate duplicates Z: 37 35.516 2.077 0.517 0.665 0.944 0.583 CB 1.708 33 residues pruned to eliminate duplicates Z: 25 17.105 1.929 0.584 0.335 0.833 0.458 C 1.642 25 residues pruned to eliminate duplicates Z: 21 33.212 2.140 0.436 0.906 1.000 0.900 CB 1.719 21 residues pruned to eliminate duplicates Z: 22 42.330 2.168 0.998 0.887 0.952 0.429 CA 1.615 22 residues pruned to eliminate duplicates Z: 71 46.442 2.238 0.624 0.516 0.929 0.543 CA 1.619 71 residues pruned to eliminate duplicates Z: 15 9.513 1.998 0.152 0.521 0.714 0.571 CA 1.515 15 residues pruned to eliminate duplicates Z: 15 5.458 1.687 0.115 0.329 0.714 0.500 CB 1.310 15 residues pruned to eliminate duplicates Z: 6 6.117 1.998 0.034 0.852 0.800 0.800 CB 1.225 6 residues pruned to eliminate duplicates Z: 6 7.592 1.570 1.088 0.674 0.800 0.600 C 1.102 6 residues pruned to eliminate duplicates Z: 12 14.110 1.923 0.122 0.830 1.000 0.818 CA 1.483 12 residues pruned to eliminate duplicates Z: 14 10.301 1.892 0.201 0.746 0.769 0.462 CB 1.312 14 residues pruned to eliminate duplicates Z: 22 42.283 2.085 0.776 0.906 1.000 0.762 CB 1.773 26 residues pruned to eliminate duplicates Z: 16 7.320 1.824 0.273 0.426 0.800 0.600 CB 1.100 16 residues pruned to eliminate duplicates Z: 22 38.278 2.218 0.613 0.919 1.000 0.714 CA 1.646 22 residues pruned to eliminate duplicates Z: 22 34.925 2.182 0.630 0.877 1.000 0.762 CA 1.557 22 residues pruned to eliminate duplicates Z: 8 4.203 1.776 -0.094 0.276 0.857 0.571 N 1.484 Z: 18 12.303 1.932 0.243 0.430 0.882 0.529 CB 1.515 Z: 7 5.304 1.750 -0.067 0.622 0.833 0.833 CB 1.418 Z: 12 6.351 2.124 0.080 0.470 0.545 0.455 CB 1.578 12 residues pruned to eliminate duplicates Z: 20 13.511 2.060 0.265 0.503 0.737 0.684 CA 1.610 21 residues pruned to eliminate duplicates Z: 21 12.762 1.955 0.488 0.396 0.900 0.500 CB 1.217 11 residues pruned to eliminate duplicates Z: 10 7.891 1.834 0.023 0.570 0.889 0.556 CB 1.475 Z: 16 10.566 2.016 0.096 0.512 0.933 0.733 CB 1.307 16 residues pruned to eliminate duplicates Z: 13 6.926 1.855 0.382 0.404 0.750 0.583 CA 1.150 13 residues pruned to eliminate duplicates Z: 21 51.552 2.283 1.076 0.934 1.000 0.800 CA 1.696 21 residues pruned to eliminate duplicates Z: 14 8.711 1.828 0.123 0.410 1.000 0.692 CA 1.293 14 residues pruned to eliminate duplicates Z: 13 7.369 1.970 0.186 0.595 0.833 0.667 CB 0.998 13 residues pruned to eliminate duplicates Z: 11 15.092 2.093 0.399 0.864 1.000 0.700 CB 1.195 11 residues pruned to eliminate duplicates Z: 6 5.498 1.835 -0.249 0.839 1.000 1.000 CB 1.332 6 residues pruned to eliminate duplicates Z: 21 36.760 2.151 0.656 0.923 1.000 0.650 CB 1.621 21 residues pruned to eliminate duplicates Z: 22 37.436 2.072 0.626 0.890 1.000 0.714 CB 1.745 22 residues pruned to eliminate duplicates Z: 25 18.031 2.075 0.456 0.372 0.833 0.500 N 1.677 30 residues pruned to eliminate duplicates Z: 23 32.432 2.057 0.504 0.888 0.955 0.545 CA 1.688 23 residues pruned to eliminate duplicates Z: 37 25.732 2.128 0.449 0.477 0.917 0.583 CB 1.552 38 residues pruned to eliminate duplicates Z: 22 40.098 2.137 0.643 0.915 1.000 0.762 CA 1.761 22 residues pruned to eliminate duplicates Z: 14 9.574 2.032 0.369 0.608 0.846 0.615 CB 1.019 14 residues pruned to eliminate duplicates Z: 22 20.516 1.896 0.543 0.638 0.857 0.619 CB 1.569 13 residues pruned to eliminate duplicates Z: 20 8.181 1.888 0.232 0.409 0.632 0.526 CB 1.405 20 residues pruned to eliminate duplicates Z: 21 47.071 2.281 1.074 0.940 0.950 0.450 CA 1.626 21 residues pruned to eliminate duplicates Z: 21 8.897 1.872 0.282 0.362 0.850 0.400 CB 1.131 21 residues pruned to eliminate duplicates Z: 47 24.363 2.061 0.408 0.537 0.870 0.413 CB 1.373 47 residues pruned to eliminate duplicates Z: 9 6.982 2.071 -0.107 0.621 1.000 0.875 CB 1.191 9 residues pruned to eliminate duplicates Z: 12 16.792 2.017 0.564 0.785 0.909 0.545 CB 1.374 12 residues pruned to eliminate duplicates Z: 14 9.738 1.987 0.279 0.633 0.923 0.615 CB 1.016 14 residues pruned to eliminate duplicates Z: 21 26.795 2.034 0.803 0.897 0.950 0.650 CA 1.231 21 residues pruned to eliminate duplicates Z: 12 16.750 2.076 0.623 0.875 0.909 0.727 CA 1.200 12 residues pruned to eliminate duplicates Z: 15 11.225 1.994 0.248 0.462 0.786 0.571 CA 1.594 15 residues pruned to eliminate duplicates Z: 18 23.606 2.083 0.345 0.897 1.000 0.882 CB 1.464 18 residues pruned to eliminate duplicates Z: 97 46.674 2.165 0.544 0.483 0.875 0.479 CA 1.656 97 residues pruned to eliminate duplicates Z: 16 26.266 2.215 0.631 0.910 0.933 0.867 CB 1.426 16 residues pruned to eliminate duplicates Z: 62 36.203 2.067 0.614 0.594 0.918 0.623 CA 1.383 62 residues pruned to eliminate duplicates Z: 21 37.036 2.245 0.737 0.932 0.950 0.650 CB 1.562 21 residues pruned to eliminate duplicates Z: 54 42.968 2.222 0.619 0.585 0.925 0.415 CA 1.635 54 residues pruned to eliminate duplicates Z: 99 51.341 2.202 0.473 0.578 0.929 0.602 CA 1.597 99 residues pruned to eliminate duplicates Z: 13 12.673 1.986 0.495 0.482 0.917 0.583 CA 1.368 13 residues pruned to eliminate duplicates Z: 6 3.530 1.517 0.565 0.569 0.800 0.600 CA 0.778 6 residues pruned to eliminate duplicates Z: 14 7.691 1.826 0.304 0.349 0.846 0.462 CB 1.248 10 residues pruned to eliminate duplicates Z: 75 35.283 2.037 0.592 0.501 0.851 0.486 CA 1.485 72 residues pruned to eliminate duplicates Z: 19 9.583 1.921 0.298 0.458 0.889 0.444 CB 1.063 19 residues pruned to eliminate duplicates Z: 20 14.968 1.922 0.460 0.412 0.842 0.316 CB 1.594 18 residues pruned to eliminate duplicates Z: 13 12.569 1.979 0.517 0.703 0.833 0.500 CB 1.205 13 residues pruned to eliminate duplicates Z: 9 14.500 2.169 0.245 0.738 1.000 0.875 CA 1.534 9 residues pruned to eliminate duplicates Z: 20 15.826 2.164 0.593 0.357 0.842 0.632 CA 1.459 20 residues pruned to eliminate duplicates Z: 12 5.399 1.569 0.415 0.353 0.727 0.545 CB 1.182 Z: 11 16.105 1.820 0.712 0.795 1.000 0.600 CA 1.262 11 residues pruned to eliminate duplicates Z: 15 13.111 1.994 0.249 0.450 0.929 0.571 N 1.595 15 residues pruned to eliminate duplicates Z: 11 5.264 1.833 0.111 0.463 0.900 0.600 CB 0.943 11 residues pruned to eliminate duplicates Z: 29 16.353 2.075 0.280 0.540 0.821 0.607 CB 1.362 29 residues pruned to eliminate duplicates Z: 9 3.887 1.471 0.107 0.439 0.875 0.500 CB 1.027 Z: 18 10.770 2.100 0.139 0.383 0.765 0.471 CB 1.618 18 residues pruned to eliminate duplicates Z: 13 6.698 1.612 0.245 0.591 0.750 0.417 CB 1.177 8 residues pruned to eliminate duplicates Z: 6 4.470 1.896 0.155 0.460 0.800 0.600 CB 1.188 6 residues pruned to eliminate duplicates Z: 21 41.332 2.234 0.907 0.934 0.950 0.650 CA 1.593 21 residues pruned to eliminate duplicates Z: 10 5.058 1.687 0.174 0.399 0.778 0.444 CA 1.217 10 residues pruned to eliminate duplicates Z: 16 28.089 2.171 0.709 0.903 1.000 0.800 CB 1.393 16 residues pruned to eliminate duplicates Z: 21 36.551 2.222 0.642 0.925 1.000 0.850 CA 1.572 21 residues pruned to eliminate duplicates Z: 89 46.116 2.190 0.535 0.483 0.909 0.500 CA 1.637 89 residues pruned to eliminate duplicates Z: 11 17.682 1.974 0.579 0.876 0.900 0.600 CA 1.449 11 residues pruned to eliminate duplicates Z: 11 8.294 2.011 0.072 0.551 0.800 0.800 CB 1.447 11 residues pruned to eliminate duplicates Z: 11 14.493 2.057 0.501 0.797 0.800 0.500 CB 1.431 11 residues pruned to eliminate duplicates Z: 22 16.275 1.994 0.541 0.389 0.905 0.429 CA 1.437 18 residues pruned to eliminate duplicates Z: 9 12.730 2.104 0.785 0.413 1.000 0.625 CA 1.312 9 residues pruned to eliminate duplicates Z: 19 12.718 1.944 0.604 0.324 0.833 0.500 CA 1.401 19 residues pruned to eliminate duplicates Z: 21 10.105 1.813 0.249 0.360 0.800 0.450 CA 1.451 12 residues pruned to eliminate duplicates Z: 12 5.672 1.742 0.153 0.332 0.909 0.545 CA 1.126 8 residues pruned to eliminate duplicates Z: 16 10.518 1.876 0.564 0.308 0.867 0.400 CA 1.321 16 residues pruned to eliminate duplicates Z: 23 34.449 2.112 0.821 0.897 0.955 0.727 CA 1.433 23 residues pruned to eliminate duplicates Z: 19 13.937 2.098 0.229 0.491 1.000 0.611 CB 1.286 23 residues pruned to eliminate duplicates Z: 8 14.125 2.014 0.366 0.876 1.000 0.571 CA 1.410 8 residues pruned to eliminate duplicates Z: 23 11.099 1.896 0.206 0.435 0.773 0.455 CB 1.432 37 residues pruned to eliminate duplicates Z: 10 8.698 1.969 0.203 0.624 1.000 0.667 CB 1.089 10 residues pruned to eliminate duplicates Z: 11 8.396 1.839 0.187 0.646 0.800 0.600 CB 1.326 9 residues pruned to eliminate duplicates Z: 6 3.339 1.488 0.137 0.628 0.800 0.600 CB 0.978 6 residues pruned to eliminate duplicates Z: 7 3.551 1.779 0.057 0.612 0.667 0.500 CB 1.039 7 residues pruned to eliminate duplicates Z: 24 17.713 2.066 0.430 0.449 0.870 0.565 CB 1.516 24 residues pruned to eliminate duplicates Z: 20 9.913 1.812 0.167 0.385 0.842 0.421 CA 1.443 20 residues pruned to eliminate duplicates Z: 7 3.368 1.321 0.182 0.496 1.000 0.500 CB 0.884 Z: 6 3.854 1.738 0.127 0.473 1.000 0.600 CA 0.904 Z: 12 5.611 1.627 0.106 0.455 0.818 0.455 CB 1.203 10 residues pruned to eliminate duplicates Z: 15 11.710 1.956 0.637 0.293 0.786 0.500 CA 1.567 15 residues pruned to eliminate duplicates Z: 12 29.910 2.146 1.037 0.897 1.000 0.636 CB 1.477 12 residues pruned to eliminate duplicates Z: 19 13.361 2.058 0.394 0.436 0.944 0.611 CB 1.242 22 residues pruned to eliminate duplicates Z: 21 10.962 1.843 0.250 0.386 0.800 0.500 CA 1.500 19 residues pruned to eliminate duplicates Z: 22 29.907 2.106 0.464 0.894 0.952 0.810 CB 1.594 22 residues pruned to eliminate duplicates Z: 9 10.061 1.808 0.640 0.589 0.875 0.375 CB 1.259 8 residues pruned to eliminate duplicates Z: 30 19.695 2.041 0.390 0.405 0.931 0.448 CA 1.529 30 residues pruned to eliminate duplicates Z: 6 14.405 2.329 0.625 0.455 1.000 0.400 CB 1.781 6 residues pruned to eliminate duplicates Z: 18 16.728 2.106 0.375 0.535 1.000 0.588 CB 1.354 18 residues pruned to eliminate duplicates Z: 18 14.177 1.982 0.285 0.373 0.941 0.588 CB 1.644 19 residues pruned to eliminate duplicates Z: 8 4.546 1.901 0.006 0.808 1.000 0.714 CB 0.687 8 residues pruned to eliminate duplicates Z: 37 24.308 2.127 0.349 0.475 0.944 0.583 CA 1.534 37 residues pruned to eliminate duplicates Z: 20 23.891 1.919 0.854 0.894 1.000 0.632 CA 1.105 20 residues pruned to eliminate duplicates Z: 38 23.331 2.080 0.403 0.445 0.919 0.622 CB 1.512 38 residues pruned to eliminate duplicates Z: 6 4.961 1.713 0.153 0.586 0.800 0.800 CA 1.293 Z: 19 11.771 1.938 0.262 0.299 0.944 0.611 CB 1.503 19 residues pruned to eliminate duplicates Z: 7 3.055 1.772 -0.186 0.333 0.667 0.500 CB 1.556 Z: 39 26.435 1.995 0.610 0.500 0.895 0.632 CB 1.493 39 residues pruned to eliminate duplicates Z: 18 15.038 2.060 0.554 0.351 0.882 0.529 CB 1.517 18 residues pruned to eliminate duplicates Z: 17 6.479 1.729 0.055 0.331 0.812 0.562 CB 1.314 17 residues pruned to eliminate duplicates Z: 10 13.758 2.125 0.617 0.834 0.889 0.778 CB 1.125 10 residues pruned to eliminate duplicates Z: 16 17.062 1.924 0.539 0.911 0.933 0.800 CA 1.130 16 residues pruned to eliminate duplicates Z: 33 10.949 1.749 0.313 0.278 0.781 0.344 CA 1.386 14 residues pruned to eliminate duplicates Z: 17 23.906 2.114 0.556 0.876 1.000 0.562 CB 1.320 17 residues pruned to eliminate duplicates Z: 11 3.531 1.647 0.370 0.423 0.500 0.500 CB 1.072 8 residues pruned to eliminate duplicates Z: 10 16.446 1.811 0.801 0.829 1.000 0.778 CA 1.264 10 residues pruned to eliminate duplicates Z: 14 6.707 1.902 0.191 0.301 0.769 0.538 CB 1.333 Z: 12 13.923 2.045 0.617 0.367 0.909 0.727 C 1.611 12 residues pruned to eliminate duplicates Z: 20 17.145 2.088 0.339 0.423 0.895 0.526 CA 1.704 20 residues pruned to eliminate duplicates Z: 14 9.912 2.043 0.338 0.600 0.846 0.692 CB 1.080 14 residues pruned to eliminate duplicates Z: 14 13.024 1.935 0.590 0.516 0.769 0.538 CB 1.501 12 residues pruned to eliminate duplicates Z: 11 5.133 1.874 0.359 0.337 0.700 0.500 CB 1.088 5 residues pruned to eliminate duplicates Z: 75 46.486 2.242 0.569 0.514 0.919 0.473 CA 1.648 75 residues pruned to eliminate duplicates Z: 11 10.998 1.948 0.615 0.626 1.000 0.700 CB 0.982 11 residues pruned to eliminate duplicates Z: 37 29.321 2.023 0.569 0.676 0.861 0.611 CB 1.521 37 residues pruned to eliminate duplicates Z: 12 8.153 1.926 0.244 0.373 0.818 0.364 CB 1.436 12 residues pruned to eliminate duplicates Z: 11 7.013 1.664 0.195 0.516 0.900 0.500 CA 1.220 11 residues pruned to eliminate duplicates Z: 6 3.308 1.363 0.170 0.482 0.800 0.400 O 1.181 Z: 8 8.305 2.144 0.432 0.485 0.714 0.571 CA 1.453 8 residues pruned to eliminate duplicates Z: 6 4.792 1.699 0.165 0.469 0.800 0.400 CA 1.396 Z: 19 10.066 1.889 0.072 0.428 0.833 0.500 CB 1.517 19 residues pruned to eliminate duplicates Z: 9 12.204 2.084 0.782 0.557 0.875 0.625 CA 1.256 9 residues pruned to eliminate duplicates Z: 18 20.552 1.998 0.810 0.861 1.000 0.353 CB 1.013 18 residues pruned to eliminate duplicates Z: 47 39.091 2.210 0.643 0.602 0.891 0.457 CA 1.616 47 residues pruned to eliminate duplicates Z: 14 4.793 1.578 0.275 0.174 0.769 0.308 CB 1.274 9 residues pruned to eliminate duplicates Z: 15 11.190 1.716 0.531 0.689 0.857 0.357 CA 1.117 15 residues pruned to eliminate duplicates Z: 40 37.618 2.243 0.749 0.613 0.949 0.615 CA 1.453 40 residues pruned to eliminate duplicates Z: 8 3.483 1.610 0.029 0.527 0.857 0.714 N 0.903 Z: 6 9.077 1.543 0.575 0.810 1.000 1.000 C 1.276 6 residues pruned to eliminate duplicates Z: 24 16.310 2.048 0.445 0.342 0.870 0.478 CA 1.569 24 residues pruned to eliminate duplicates Z: 57 35.479 2.026 0.667 0.532 0.875 0.571 CA 1.555 57 residues pruned to eliminate duplicates Z: 14 9.992 2.056 0.229 0.546 0.846 0.385 CB 1.239 14 residues pruned to eliminate duplicates Z: 8 3.662 1.567 -0.212 0.604 0.857 0.571 N 1.185 Z: 13 9.535 1.841 0.768 0.523 0.750 0.583 CA 1.102 13 residues pruned to eliminate duplicates Z: 24 14.042 2.113 0.349 0.319 0.826 0.391 CB 1.517 24 residues pruned to eliminate duplicates Z: 57 25.889 2.048 0.442 0.503 0.804 0.411 CB 1.453 52 residues pruned to eliminate duplicates Z: 6 2.679 1.570 0.089 0.796 0.800 0.800 CA 0.676 6 residues pruned to eliminate duplicates Z: 6 5.654 1.960 -0.131 0.706 1.000 0.600 CB 1.230 Z: 61 45.610 2.242 0.625 0.546 0.933 0.500 CA 1.656 61 residues pruned to eliminate duplicates Z: 91 46.644 2.199 0.416 0.535 0.922 0.556 CA 1.654 91 residues pruned to eliminate duplicates Z: 17 14.265 2.038 0.283 0.374 0.938 0.625 CB 1.664 17 residues pruned to eliminate duplicates Z: 21 26.245 2.050 0.647 0.880 1.000 0.700 CA 1.259 21 residues pruned to eliminate duplicates Z: 11 9.205 1.912 0.502 0.386 0.800 0.600 CB 1.430 11 residues pruned to eliminate duplicates Z: 10 8.123 1.814 0.411 0.421 1.000 0.667 CB 1.149 9 residues pruned to eliminate duplicates Z: 8 5.023 1.957 0.072 0.353 0.857 0.429 CB 1.239 8 residues pruned to eliminate duplicates Z: 12 5.004 1.681 0.234 0.281 0.727 0.364 O 1.281 12 residues pruned to eliminate duplicates Z: 15 11.649 1.927 0.428 0.411 0.857 0.643 CA 1.449 14 residues pruned to eliminate duplicates Z: 10 13.326 2.012 0.532 0.866 0.889 0.556 CB 1.186 10 residues pruned to eliminate duplicates Z: 23 26.661 2.221 0.571 0.588 0.955 0.636 CA 1.568 22 residues pruned to eliminate duplicates Z: 7 8.530 1.974 0.696 0.507 0.667 0.667 CA 1.550 Z: 18 13.871 1.956 0.271 0.426 0.882 0.588 CA 1.658 18 residues pruned to eliminate duplicates Z: 11 15.651 2.101 0.773 0.490 0.900 0.700 CB 1.491 16 residues pruned to eliminate duplicates Z: 11 9.715 1.853 0.185 0.834 0.900 0.800 CA 1.166 11 residues pruned to eliminate duplicates Z: 17 10.717 2.039 0.130 0.434 0.750 0.625 CA 1.661 17 residues pruned to eliminate duplicates Z: 12 8.995 1.935 0.606 0.518 0.818 0.727 CB 1.048 12 residues pruned to eliminate duplicates Z: 10 15.785 1.923 0.908 0.796 0.889 0.556 CA 1.244 12 residues pruned to eliminate duplicates Z: 11 8.584 1.829 0.358 0.542 0.900 0.600 CB 1.165 12 residues pruned to eliminate duplicates Z: 46 24.084 2.159 0.449 0.420 0.800 0.422 CB 1.559 46 residues pruned to eliminate duplicates Z: 8 4.173 1.432 0.791 0.325 0.857 0.429 CB 0.870 Z: 6 4.796 1.604 0.632 0.688 0.800 0.400 CA 0.862 6 residues pruned to eliminate duplicates Z: 8 2.970 1.607 0.302 0.210 0.714 0.429 CB 1.057 8 residues pruned to eliminate duplicates Z: 7 4.324 1.502 0.889 0.271 0.667 0.667 CA 1.211 5 residues pruned to eliminate duplicates Z: 32 26.895 2.136 0.550 0.691 0.935 0.613 CA 1.310 32 residues pruned to eliminate duplicates Z: 6 5.167 1.683 0.383 0.585 0.800 0.600 CB 1.144 Z: 16 10.737 1.820 0.513 0.528 0.800 0.467 CA 1.224 16 residues pruned to eliminate duplicates Z: 6 7.122 1.633 0.515 0.459 1.000 0.200 C 1.343 6 residues pruned to eliminate duplicates Z: 67 40.532 2.108 0.630 0.589 0.924 0.530 CA 1.443 67 residues pruned to eliminate duplicates Z: 10 5.556 2.025 0.204 0.419 0.889 0.444 CB 0.930 10 residues pruned to eliminate duplicates Z: 51 43.136 2.199 0.655 0.645 0.960 0.520 CA 1.525 51 residues pruned to eliminate duplicates Z: 17 11.828 1.973 0.152 0.386 0.938 0.562 CB 1.567 17 residues pruned to eliminate duplicates Z: 11 7.862 1.810 0.304 0.453 1.000 0.500 CB 1.106 11 residues pruned to eliminate duplicates Z: 20 12.183 2.010 0.371 0.442 0.895 0.579 CB 1.203 21 residues pruned to eliminate duplicates Z: 19 17.277 2.100 0.505 0.569 0.889 0.667 CA 1.355 19 residues pruned to eliminate duplicates Z: 11 9.947 1.875 0.282 0.434 0.900 0.400 CA 1.557 11 residues pruned to eliminate duplicates Z: 6 6.110 1.899 -0.242 0.817 1.000 0.800 CA 1.442 6 residues pruned to eliminate duplicates Z: 17 25.472 2.262 0.250 0.711 1.000 0.812 CB 1.859 17 residues pruned to eliminate duplicates Z: 32 18.330 1.923 0.442 0.398 0.871 0.387 CB 1.518 23 residues pruned to eliminate duplicates Z: 16 9.950 2.021 0.279 0.463 0.933 0.600 CB 1.106 16 residues pruned to eliminate duplicates Z: 7 6.404 1.738 0.272 0.581 0.833 0.333 CB 1.313 6 residues pruned to eliminate duplicates Z: 7 6.976 1.940 0.499 0.455 0.833 0.500 CB 1.230 7 residues pruned to eliminate duplicates Z: 8 8.010 1.797 0.320 0.708 1.000 0.714 CB 1.057 9 residues pruned to eliminate duplicates Z: 20 28.316 2.022 0.761 0.896 1.000 0.632 CA 1.306 20 residues pruned to eliminate duplicates Z: 26 18.786 2.062 0.583 0.530 0.920 0.640 CA 1.215 26 residues pruned to eliminate duplicates Z: 8 3.276 1.546 -0.099 0.560 0.857 0.571 CB 0.978 8 residues pruned to eliminate duplicates Z: 34 22.179 2.040 0.357 0.514 0.909 0.545 CA 1.513 32 residues pruned to eliminate duplicates Z: 53 28.937 2.079 0.373 0.572 0.942 0.558 CA 1.392 53 residues pruned to eliminate duplicates Z: 16 34.110 2.128 1.031 0.905 0.933 0.667 CB 1.555 16 residues pruned to eliminate duplicates Z: 22 23.693 2.138 0.644 0.645 0.952 0.762 CA 1.349 22 residues pruned to eliminate duplicates Z: 9 8.148 2.028 0.368 0.484 0.875 0.750 CB 1.206 8 residues pruned to eliminate duplicates Z: 6 4.774 1.713 0.192 0.648 0.800 0.400 N 1.139 Z: 16 9.548 1.808 0.296 0.441 0.867 0.600 CB 1.290 16 residues pruned to eliminate duplicates Z: 21 12.054 1.952 0.334 0.535 0.800 0.600 CB 1.250 48 residues pruned to eliminate duplicates Z: 22 17.053 2.030 0.399 0.409 0.857 0.524 CA 1.683 22 residues pruned to eliminate duplicates Z: 8 7.471 1.635 0.346 0.461 1.000 0.714 CA 1.335 Z: 50 33.454 2.073 0.414 0.552 0.959 0.653 CA 1.615 50 residues pruned to eliminate duplicates Z: 6 8.655 1.730 0.594 0.823 0.800 0.600 CA 1.327 5 residues pruned to eliminate duplicates Z: 15 9.178 2.094 0.329 0.463 0.643 0.571 CA 1.423 15 residues pruned to eliminate duplicates Z: 9 5.411 1.673 0.341 0.372 0.875 0.250 CB 1.118 16 residues pruned to eliminate duplicates 6 1.464 1.186 0.542 0.314 0.600 0.400 CA 0.734 ? Z: 17 16.253 1.874 0.633 0.802 0.875 0.562 CB 1.166 17 residues pruned to eliminate duplicates Z: 24 14.063 1.922 0.541 0.462 0.957 0.609 CB 1.077 20 residues pruned to eliminate duplicates Z: 10 8.590 1.851 0.480 0.698 1.000 0.889 CB 0.872 10 residues pruned to eliminate duplicates Z: 11 14.984 1.898 0.461 0.910 1.000 0.700 CB 1.213 11 residues pruned to eliminate duplicates Z: 8 7.063 1.971 0.091 0.326 1.000 0.714 CA 1.503 8 residues pruned to eliminate duplicates Z: 80 41.568 2.081 0.665 0.584 0.924 0.582 CA 1.347 80 residues pruned to eliminate duplicates Z: 19 17.012 1.877 0.594 0.808 0.889 0.556 CA 1.153 19 residues pruned to eliminate duplicates Z: 7 4.656 1.738 0.540 0.513 0.833 0.333 CB 0.841 5 residues pruned to eliminate duplicates Z: 71 48.595 2.240 0.709 0.530 0.914 0.500 CA 1.611 71 residues pruned to eliminate duplicates Z: 6 6.834 1.904 0.342 0.437 0.800 0.600 O 1.596 Z: 18 6.996 1.843 0.569 0.154 0.647 0.235 CA 1.388 12 residues pruned to eliminate duplicates Z: 13 10.973 1.906 0.655 0.784 0.750 0.500 CB 1.043 13 residues pruned to eliminate duplicates Z: 11 14.478 2.196 0.266 0.817 1.000 0.600 CB 1.251 11 residues pruned to eliminate duplicates Z: 19 15.372 2.034 0.491 0.429 1.000 0.556 CB 1.287 19 residues pruned to eliminate duplicates Z: 29 14.097 1.845 0.339 0.425 0.857 0.536 CB 1.359 29 residues pruned to eliminate duplicates Z: 11 5.627 1.825 0.209 0.389 0.800 0.600 CB 1.134 11 residues pruned to eliminate duplicates Z: 7 4.506 1.898 -0.082 0.404 0.833 0.500 CA 1.401 7 residues pruned to eliminate duplicates Z: 6 4.036 1.326 0.448 0.686 1.000 0.600 CB 0.793 Z: 10 4.513 1.413 0.501 0.372 0.889 0.444 CB 0.914 10 residues pruned to eliminate duplicates Z: 18 15.616 1.910 0.480 0.868 0.882 0.765 CA 1.110 18 residues pruned to eliminate duplicates Z: 8 7.714 1.786 0.257 0.594 1.000 0.286 CB 1.187 6 residues pruned to eliminate duplicates Z: 38 20.931 2.046 0.313 0.480 0.892 0.486 CA 1.466 38 residues pruned to eliminate duplicates Z: 7 4.578 1.633 0.300 0.362 1.000 0.667 CB 1.021 Z: 8 14.500 1.963 0.688 0.685 0.857 0.714 CA 1.629 8 residues pruned to eliminate duplicates Z: 18 10.621 1.906 0.415 0.327 0.824 0.471 N 1.402 18 residues pruned to eliminate duplicates Z: 6 4.752 1.598 0.286 0.455 1.000 0.400 C 1.082 Z: 6 3.400 1.387 0.116 0.426 1.000 0.400 CB 1.062 Z: 8 5.031 1.608 0.449 0.554 0.714 0.571 N 1.084 6 residues pruned to eliminate duplicates Z: 18 13.853 1.989 0.387 0.467 0.882 0.647 CB 1.428 18 residues pruned to eliminate duplicates Z: 7 3.095 1.393 0.396 0.464 0.833 0.500 CB 0.809 Z: 9 9.131 2.033 0.581 0.465 1.000 0.875 CB 1.041 9 residues pruned to eliminate duplicates Z: 10 9.558 1.902 0.396 0.593 1.000 0.444 CB 1.098 10 residues pruned to eliminate duplicates Z: 35 21.211 2.174 0.461 0.404 0.853 0.500 CB 1.485 35 residues pruned to eliminate duplicates Z: 17 11.647 1.960 0.139 0.432 0.875 0.625 CB 1.600 17 residues pruned to eliminate duplicates Z: 26 20.299 1.946 0.536 0.730 0.960 0.800 CA 1.150 26 residues pruned to eliminate duplicates Z: 21 9.381 1.859 0.160 0.317 0.950 0.400 CB 1.253 21 residues pruned to eliminate duplicates Z: 24 10.965 1.861 0.137 0.451 0.870 0.435 CB 1.307 24 residues pruned to eliminate duplicates Z: 10 5.607 1.938 -0.023 0.434 0.889 0.667 CA 1.189 10 residues pruned to eliminate duplicates Z: 6 3.881 1.740 -0.140 0.364 1.000 0.400 CB 1.342 6 residues pruned to eliminate duplicates Z: 9 8.986 1.909 0.353 0.384 1.000 0.750 CA 1.392 9 residues pruned to eliminate duplicates Z: 26 10.992 1.950 0.154 0.413 0.880 0.560 CB 1.216 26 residues pruned to eliminate duplicates Z: 13 10.266 1.977 0.500 0.404 0.750 0.583 CA 1.475 13 residues pruned to eliminate duplicates Z: 6 2.688 1.611 0.368 0.571 1.000 0.600 CB 0.509 6 residues pruned to eliminate duplicates Z: 16 6.728 1.825 0.303 0.285 0.733 0.400 CA 1.269 15 residues pruned to eliminate duplicates Z: 28 12.479 1.901 0.450 0.419 0.741 0.444 CB 1.281 29 residues pruned to eliminate duplicates Z: 6 3.581 1.634 0.137 0.608 1.000 0.400 N 0.778 5 residues pruned to eliminate duplicates Z: 8 3.154 1.360 0.129 0.412 0.857 0.714 N 0.993 Z: 11 14.665 1.904 0.197 0.859 1.000 0.800 CA 1.498 11 residues pruned to eliminate duplicates Z: 23 36.088 2.038 0.767 0.899 0.909 0.364 CB 1.680 23 residues pruned to eliminate duplicates Z: 9 18.417 2.011 0.707 0.862 1.000 0.875 CA 1.393 9 residues pruned to eliminate duplicates Z: 10 10.455 1.956 0.306 0.638 1.000 0.778 CB 1.199 9 residues pruned to eliminate duplicates Z: 10 8.066 1.829 0.125 0.673 0.889 0.444 CA 1.253 7 residues pruned to eliminate duplicates Z: 19 9.334 1.996 0.373 0.451 0.778 0.444 CB 1.085 19 residues pruned to eliminate duplicates Z: 8 6.423 1.962 0.506 0.367 0.857 0.571 CB 1.105 8 residues pruned to eliminate duplicates Z: 6 3.699 1.731 -0.264 0.761 1.000 0.800 CB 1.029 Z: 6 2.385 1.386 0.302 0.342 0.800 0.400 N 0.878 6 residues pruned to eliminate duplicates Z: 39 20.355 1.903 0.548 0.371 0.895 0.447 CA 1.438 39 residues pruned to eliminate duplicates Z: 15 14.675 2.026 0.430 0.465 0.929 0.571 CB 1.511 13 residues pruned to eliminate duplicates Z: 6 4.797 1.162 1.160 0.732 1.000 0.600 CB 0.694 Z: 7 10.320 1.968 0.326 0.475 1.000 0.500 O 1.656 7 residues pruned to eliminate duplicates Z: 8 2.497 1.728 -0.012 0.313 0.714 0.429 CB 0.953 Z: 18 8.719 1.814 0.419 0.303 0.765 0.529 N 1.337 15 residues pruned to eliminate duplicates Z: 7 8.036 1.892 0.358 0.588 1.000 0.667 CB 1.174 8 residues pruned to eliminate duplicates Z: 6 2.136 1.595 0.124 0.186 0.800 0.600 N 0.971 Z: 13 9.983 1.842 0.276 0.377 0.833 0.250 CA 1.678 13 residues pruned to eliminate duplicates Z: 10 11.159 1.987 0.619 0.512 0.889 0.556 CB 1.285 10 residues pruned to eliminate duplicates Z: 7 2.111 1.291 0.464 0.354 0.667 0.333 CB 0.801 Z: 10 4.407 1.656 0.247 0.411 0.778 0.333 CB 1.005 10 residues pruned to eliminate duplicates Z: 10 5.501 1.960 0.208 0.393 0.778 0.778 CB 1.115 10 residues pruned to eliminate duplicates Z: 8 5.756 1.764 0.539 0.575 0.714 0.714 CA 1.043 8 residues pruned to eliminate duplicates Z: 20 17.298 2.044 0.497 0.525 1.000 0.632 CB 1.265 21 residues pruned to eliminate duplicates Z: 11 7.203 1.728 0.409 0.402 0.800 0.600 CB 1.296 18 residues pruned to eliminate duplicates Z: 12 3.053 1.440 0.514 0.100 0.727 0.273 CB 0.967 Z: 9 9.586 1.758 0.751 0.410 0.875 0.500 CA 1.382 9 residues pruned to eliminate duplicates Z: 19 8.423 1.853 0.173 0.334 0.833 0.500 CA 1.314 19 residues pruned to eliminate duplicates Z: 9 3.847 1.451 0.647 0.378 0.750 0.625 CB 0.864 Z: 13 20.739 1.953 0.413 0.879 1.000 0.833 CB 1.573 13 residues pruned to eliminate duplicates Z: 10 12.228 1.985 0.268 0.812 0.889 0.556 CA 1.389 10 residues pruned to eliminate duplicates Z: 9 9.914 1.771 0.493 0.734 0.750 0.375 CA 1.432 9 residues pruned to eliminate duplicates 7 1.935 1.480 -0.396 0.637 1.000 0.667 CA 0.777 ? Z: 6 4.746 1.286 0.659 0.623 1.000 0.800 N 0.886 Z: 13 18.830 2.006 1.011 0.848 0.833 0.583 CA 1.200 13 residues pruned to eliminate duplicates Z: 7 5.024 1.715 -0.013 0.732 0.833 0.667 CB 1.180 Z: 10 7.642 1.768 0.345 0.550 0.889 0.556 CB 1.148 10 residues pruned to eliminate duplicates Z: 6 3.724 1.386 0.293 0.637 1.000 0.800 CB 0.817 Z: 6 4.557 1.655 0.422 0.527 0.800 0.800 N 1.054 5 residues pruned to eliminate duplicates Z: 17 17.324 1.943 0.730 0.825 0.875 0.625 CA 1.111 17 residues pruned to eliminate duplicates Z: 9 4.941 1.468 0.381 0.292 0.875 0.500 CA 1.243 Z: 10 5.317 1.656 0.079 0.374 0.889 0.222 CB 1.277 Z: 38 24.335 2.011 0.468 0.617 0.892 0.595 CA 1.361 38 residues pruned to eliminate duplicates Z: 9 9.305 2.067 0.289 0.567 0.875 0.625 CB 1.323 9 residues pruned to eliminate duplicates Z: 17 6.420 1.739 0.193 0.283 0.875 0.375 CB 1.129 15 residues pruned to eliminate duplicates 6 1.545 1.132 0.130 0.475 0.800 0.800 CB 0.693 ? Z: 6 2.110 1.313 0.800 0.243 0.600 0.400 C 0.896 Z: 6 2.633 1.805 -0.345 0.501 0.800 0.600 CB 1.244 Z: 11 10.296 1.757 0.747 0.571 1.000 0.800 CB 0.990 10 residues pruned to eliminate duplicates Z: 13 8.790 1.888 0.478 0.282 0.917 0.500 CA 1.269 13 residues pruned to eliminate duplicates Z: 55 28.047 2.077 0.484 0.382 0.907 0.463 CB 1.548 55 residues pruned to eliminate duplicates Z: 24 9.951 1.837 0.224 0.369 0.913 0.435 CB 1.163 24 residues pruned to eliminate duplicates Z: 11 5.950 1.757 0.277 0.409 0.900 0.700 CB 1.025 11 residues pruned to eliminate duplicates 6 0.897 1.167 0.193 0.286 0.600 0.600 O 0.610 ? Z: 6 3.154 1.495 0.221 0.545 1.000 0.400 CB 0.739 6 residues pruned to eliminate duplicates Z: 6 2.820 1.328 0.800 0.299 0.800 0.400 C 0.826 Z: 16 11.850 1.976 0.624 0.271 0.800 0.400 CB 1.547 16 residues pruned to eliminate duplicates Z: 73 41.604 2.135 0.608 0.499 0.917 0.556 CA 1.560 73 residues pruned to eliminate duplicates 7 1.937 1.071 0.779 0.345 0.833 0.500 CB 0.589 ? Z: 8 3.234 1.582 0.286 0.352 0.714 0.429 CB 0.987 Z: 6 2.802 1.759 -0.171 0.472 0.800 0.400 CB 1.106 5 residues pruned to eliminate duplicates Z: 38 21.552 2.065 0.546 0.442 0.838 0.676 CB 1.406 38 residues pruned to eliminate duplicates Z: 7 3.794 1.411 0.695 0.354 0.833 0.333 CA 0.909 Z: 10 4.606 1.162 0.846 0.366 1.000 0.556 N 0.826 Z: 14 3.190 1.457 0.091 0.381 0.615 0.385 CB 1.027 14 residues pruned to eliminate duplicates Z: 14 11.676 1.628 0.991 0.613 0.923 0.385 CA 0.972 14 residues pruned to eliminate duplicates Z: 12 5.427 1.826 0.406 0.384 0.636 0.545 CB 1.134 12 residues pruned to eliminate duplicates Z: 8 4.253 1.396 0.415 0.428 0.857 0.429 CA 1.023 Z: 38 25.854 2.098 0.441 0.478 0.946 0.459 CA 1.520 38 residues pruned to eliminate duplicates Z: 22 33.598 2.133 0.749 0.876 0.905 0.571 CA 1.579 22 residues pruned to eliminate duplicates Z: 7 3.354 1.610 0.140 0.581 1.000 0.833 CB 0.690 7 residues pruned to eliminate duplicates Z: 8 6.404 1.839 0.826 0.331 0.571 0.571 CB 1.519 6 residues pruned to eliminate duplicates Z: 6 4.464 1.818 -0.034 0.347 1.000 0.800 CA 1.342 6 residues pruned to eliminate duplicates Z: 8 3.044 1.615 -0.026 0.472 0.857 0.571 CB 0.878 4 residues pruned to eliminate duplicates Z: 27 18.879 1.970 0.479 0.554 0.923 0.500 CB 1.306 27 residues pruned to eliminate duplicates Z: 13 7.721 1.990 0.157 0.334 0.917 0.667 CB 1.267 13 residues pruned to eliminate duplicates Z: 64 44.244 2.204 0.569 0.561 0.905 0.556 CA 1.680 64 residues pruned to eliminate duplicates Z: 10 5.312 1.398 0.300 0.812 1.000 0.667 CB 0.743 Z: 11 13.930 1.955 0.244 0.869 0.900 0.800 CA 1.470 11 residues pruned to eliminate duplicates Z: 8 3.213 1.464 0.030 0.396 1.000 0.714 CB 0.899 Z: 14 12.630 1.946 0.447 0.545 0.769 0.538 CB 1.548 14 residues pruned to eliminate duplicates Z: 33 23.029 2.060 0.345 0.609 0.844 0.656 CB 1.571 33 residues pruned to eliminate duplicates Z: 17 6.123 1.743 0.144 0.451 0.750 0.438 CB 1.076 17 residues pruned to eliminate duplicates Z: 47 31.062 1.952 0.626 0.617 0.891 0.587 CB 1.450 47 residues pruned to eliminate duplicates Z: 6 2.872 1.764 -0.059 0.309 1.000 0.400 CB 0.957 Z: 16 11.639 1.936 0.284 0.395 0.867 0.467 CA 1.558 23 residues pruned to eliminate duplicates Z: 11 9.060 1.912 0.418 0.323 0.900 0.500 CA 1.426 11 residues pruned to eliminate duplicates Z: 10 3.565 1.548 0.191 0.208 0.778 0.333 CB 1.170 Z: 15 9.897 1.763 0.634 0.295 0.786 0.500 CA 1.470 15 residues pruned to eliminate duplicates Z: 42 37.254 2.215 0.646 0.637 0.951 0.683 CA 1.475 42 residues pruned to eliminate duplicates 6 1.301 1.162 0.469 0.112 0.600 0.200 C 0.929 ? 8 1.080 1.387 -0.281 0.505 0.714 0.429 N 0.570 ? Z: 7 4.073 1.504 0.810 0.309 0.667 0.667 C 1.133 Z: 35 21.248 2.015 0.311 0.617 0.794 0.353 CB 1.556 35 residues pruned to eliminate duplicates Z: 14 4.886 1.746 0.061 0.355 0.846 0.538 CB 1.011 14 residues pruned to eliminate duplicates Z: 8 2.881 1.414 0.494 0.212 0.714 0.571 CA 1.014 Z: 20 14.389 1.961 0.336 0.499 0.842 0.684 CB 1.499 20 residues pruned to eliminate duplicates Z: 23 13.786 1.934 0.380 0.463 0.818 0.409 CB 1.398 23 residues pruned to eliminate duplicates Z: 21 15.848 1.989 0.440 0.626 0.900 0.750 CB 1.221 21 residues pruned to eliminate duplicates Z: 8 7.551 1.809 0.437 0.657 0.857 0.857 CA 1.106 8 residues pruned to eliminate duplicates Z: 9 5.264 1.502 0.618 0.493 1.000 0.375 CB 0.771 Z: 15 11.316 1.865 0.454 0.346 0.929 0.357 CA 1.421 15 residues pruned to eliminate duplicates Z: 7 3.846 1.911 -0.041 0.607 0.667 0.500 CB 1.161 7 residues pruned to eliminate duplicates Z: 21 14.160 1.994 0.164 0.523 0.850 0.550 CB 1.569 22 residues pruned to eliminate duplicates Z: 14 4.062 1.556 0.328 0.305 0.615 0.385 N 1.101 11 residues pruned to eliminate duplicates Z: 8 3.559 1.571 0.285 0.586 0.857 0.714 CB 0.716 3 residues pruned to eliminate duplicates Z: 17 18.248 2.106 0.324 0.640 1.000 0.750 CB 1.435 17 residues pruned to eliminate duplicates Z: 8 4.178 1.494 0.045 0.438 1.000 0.571 CA 1.078 Z: 6 2.502 1.588 -0.188 0.383 1.000 0.400 CB 0.982 6 1.269 1.218 -0.222 0.365 0.800 0.800 CB 0.866 ? Z: 14 13.052 1.961 0.583 0.601 0.692 0.462 CB 1.530 14 residues pruned to eliminate duplicates 6 1.338 1.345 0.111 0.485 0.800 0.600 CB 0.508 ? Z: 6 2.690 1.375 0.628 0.297 0.600 0.600 N 1.125 Z: 9 3.958 1.555 0.398 0.380 0.750 0.375 CA 0.975 6 residues pruned to eliminate duplicates Z: 25 21.166 2.069 0.439 0.456 0.958 0.708 CA 1.584 34 residues pruned to eliminate duplicates 6 1.595 1.125 0.224 0.490 0.800 0.800 CA 0.654 ? Z: 19 11.703 1.898 0.278 0.450 0.778 0.556 N 1.540 19 residues pruned to eliminate duplicates Z: 44 38.524 2.219 0.601 0.634 0.930 0.512 CA 1.568 44 residues pruned to eliminate duplicates Z: 16 11.732 1.935 0.357 0.360 0.933 0.600 N 1.437 15 residues pruned to eliminate duplicates 6 0.822 1.109 -0.135 0.316 0.800 0.400 CB 0.587 ? Z: 40 36.506 2.121 0.719 0.711 0.974 0.436 CA 1.359 40 residues pruned to eliminate duplicates Z: 6 4.716 1.296 1.159 0.764 1.000 0.600 O 0.596 6 residues pruned to eliminate duplicates Z: 7 6.533 1.862 0.327 0.590 0.833 0.667 CB 1.189 7 residues pruned to eliminate duplicates Z: 23 11.387 1.775 0.246 0.613 0.773 0.545 CB 1.276 23 residues pruned to eliminate duplicates Z: 7 4.943 1.440 0.688 0.524 0.833 0.500 N 0.973 5 residues pruned to eliminate duplicates Z: 7 5.604 1.458 0.271 0.578 1.000 0.333 CB 1.145 Z: 9 8.338 2.048 0.236 0.569 1.000 0.750 CB 1.089 9 residues pruned to eliminate duplicates Z: 10 6.088 1.790 0.563 0.440 0.667 0.444 CB 1.156 10 residues pruned to eliminate duplicates Z: 8 4.158 1.531 0.195 0.420 1.000 0.429 N 0.934 Z: 19 25.479 2.018 1.109 0.926 0.944 0.778 CB 1.048 19 residues pruned to eliminate duplicates Z: 7 2.915 1.495 0.139 0.426 0.667 0.500 N 1.132 Z: 7 2.198 1.267 0.027 0.335 0.833 0.500 N 0.992 Z: 19 9.791 1.731 0.494 0.396 0.722 0.500 CA 1.378 19 residues pruned to eliminate duplicates Z: 61 30.834 2.104 0.436 0.459 0.867 0.583 CB 1.585 61 residues pruned to eliminate duplicates Z: 15 4.749 1.473 0.412 0.251 0.786 0.286 CB 1.034 7 residues pruned to eliminate duplicates Z: 22 16.904 1.954 0.638 0.449 0.810 0.714 CB 1.500 22 residues pruned to eliminate duplicates Z: 11 10.552 1.903 0.681 0.429 0.900 0.500 CA 1.247 11 residues pruned to eliminate duplicates Z: 7 6.427 1.771 0.336 0.622 0.833 0.667 CB 1.186 7 residues pruned to eliminate duplicates Z: 9 8.753 1.917 0.257 0.511 0.875 0.625 C 1.452 9 residues pruned to eliminate duplicates Z: 9 3.413 1.745 -0.214 0.592 0.750 0.750 CB 1.074 9 residues pruned to eliminate duplicates Z: 8 4.688 1.363 0.789 0.762 0.857 0.857 CB 0.672 7 residues pruned to eliminate duplicates Z: 30 37.196 2.082 0.493 0.770 1.000 0.586 CB 1.750 30 residues pruned to eliminate duplicates Z: 10 7.028 1.801 0.324 0.301 0.889 0.333 CB 1.380 10 residues pruned to eliminate duplicates 6 1.222 0.923 0.560 0.405 0.800 0.400 CB 0.524 ? Z: 12 11.657 2.097 0.258 0.671 0.727 0.545 CB 1.565 12 residues pruned to eliminate duplicates Z: 10 3.775 1.454 0.268 0.321 0.778 0.333 N 1.068 10 residues pruned to eliminate duplicates Z: 19 12.055 1.844 0.634 0.450 0.722 0.333 CB 1.375 19 residues pruned to eliminate duplicates Z: 18 13.190 1.978 0.333 0.561 0.941 0.529 CB 1.215 19 residues pruned to eliminate duplicates 6 0.251 1.230 -0.437 0.353 0.400 0.400 CB 0.475 ? 7 1.939 1.176 0.604 0.422 0.667 0.667 CB 0.683 ? Z: 14 7.403 1.674 0.344 0.331 0.923 0.385 CB 1.190 14 residues pruned to eliminate duplicates Z: 6 3.473 1.300 0.289 0.470 1.000 0.600 CB 0.956 Z: 17 13.721 1.879 0.514 0.392 0.938 0.500 CA 1.441 17 residues pruned to eliminate duplicates Z: 38 21.191 2.090 0.259 0.461 0.919 0.541 CA 1.499 38 residues pruned to eliminate duplicates Z: 35 36.428 2.017 0.608 0.735 0.971 0.824 CA 1.607 35 residues pruned to eliminate duplicates Z: 11 9.493 1.975 0.395 0.453 0.800 0.500 CA 1.429 11 residues pruned to eliminate duplicates Z: 17 13.590 1.902 0.440 0.497 0.812 0.688 N 1.532 17 residues pruned to eliminate duplicates Z: 20 28.439 2.120 0.713 0.734 1.000 0.737 CA 1.456 20 residues pruned to eliminate duplicates Z: 9 4.432 1.626 0.378 0.324 0.750 0.375 N 1.131 Z: 8 8.100 1.966 0.726 0.680 0.857 0.714 CB 0.892 8 residues pruned to eliminate duplicates Z: 27 12.827 1.946 0.372 0.307 0.769 0.423 CB 1.517 27 residues pruned to eliminate duplicates Z: 18 16.099 1.905 0.479 0.552 0.941 0.647 CA 1.400 18 residues pruned to eliminate duplicates Z: 6 3.169 1.202 0.636 0.681 0.800 0.600 CA 0.763 Using tripeptides from previous cycle as seeds Z: 18 11.468 1.950 0.166 0.372 0.882 0.588 CA 1.588 18 residues pruned to eliminate duplicates Z: 18 14.486 2.001 0.213 0.399 0.941 0.588 CA 1.711 18 residues pruned to eliminate duplicates Z: 18 13.637 1.945 0.315 0.373 0.882 0.529 CB 1.678 18 residues pruned to eliminate duplicates Z: 19 12.916 1.937 0.299 0.392 0.889 0.556 CB 1.527 19 residues pruned to eliminate duplicates Z: 19 11.315 1.970 0.189 0.341 0.889 0.556 CB 1.522 19 residues pruned to eliminate duplicates Z: 18 12.539 1.980 0.252 0.399 0.824 0.588 CB 1.657 18 residues pruned to eliminate duplicates Z: 19 11.372 1.960 0.293 0.292 0.889 0.556 CB 1.502 19 residues pruned to eliminate duplicates Z: 17 11.924 1.954 0.282 0.332 0.875 0.500 CB 1.635 15 residues pruned to eliminate duplicates Z: 6 3.356 1.496 0.693 0.215 0.800 0.400 CB 1.037 6 residues pruned to eliminate duplicates Z: 18 15.581 2.106 0.430 0.488 1.000 0.647 CB 1.270 18 residues pruned to eliminate duplicates Z: 21 13.256 2.000 0.445 0.408 0.950 0.500 CB 1.189 21 residues pruned to eliminate duplicates Z: 19 15.741 2.093 0.430 0.470 1.000 0.611 CB 1.277 19 residues pruned to eliminate duplicates Z: 20 15.849 2.053 0.475 0.461 1.000 0.632 CB 1.249 20 residues pruned to eliminate duplicates Z: 10 8.452 1.935 0.413 0.513 1.000 0.556 CB 1.017 10 residues pruned to eliminate duplicates Z: 10 10.242 2.085 0.371 0.508 1.000 0.778 CB 1.185 10 residues pruned to eliminate duplicates Z: 18 14.039 2.141 0.297 0.522 0.941 0.706 CB 1.275 18 residues pruned to eliminate duplicates Z: 9 8.501 2.052 0.301 0.528 1.000 0.750 CB 1.096 9 residues pruned to eliminate duplicates Z: 19 13.355 2.068 0.415 0.483 0.944 0.611 CB 1.159 19 residues pruned to eliminate duplicates Z: 20 12.167 2.010 0.372 0.453 0.895 0.579 CB 1.187 20 residues pruned to eliminate duplicates Z: 9 6.930 1.925 0.398 0.459 0.750 0.375 CB 1.266 9 residues pruned to eliminate duplicates Z: 9 9.331 1.967 0.546 0.468 0.875 0.375 CB 1.280 9 residues pruned to eliminate duplicates Z: 8 11.447 1.878 0.505 0.528 1.000 0.429 CA 1.489 8 residues pruned to eliminate duplicates Z: 8 14.041 2.019 0.601 0.558 1.000 0.429 CB 1.552 11 residues pruned to eliminate duplicates Z: 9 11.541 1.847 0.445 0.543 1.000 0.250 CB 1.466 9 residues pruned to eliminate duplicates Z: 7 12.116 2.035 0.511 0.531 1.000 0.500 CB 1.561 7 residues pruned to eliminate duplicates Z: 12 11.668 1.903 0.520 0.552 0.818 0.273 CA 1.413 9 residues pruned to eliminate duplicates Z: 7 11.187 1.918 0.864 0.707 0.833 0.167 CA 1.271 8 residues pruned to eliminate duplicates Z: 6 6.165 1.944 0.668 0.676 0.600 0.200 CA 1.205 6 residues pruned to eliminate duplicates Z: 9 6.575 1.811 0.512 0.394 0.750 0.250 CA 1.266 9 residues pruned to eliminate duplicates Z: 10 7.977 1.828 0.497 0.542 0.778 0.333 CA 1.199 10 residues pruned to eliminate duplicates Z: 10 9.038 1.986 0.338 0.519 0.889 0.667 CB 1.251 10 residues pruned to eliminate duplicates Z: 12 10.563 1.836 0.582 0.529 1.000 0.818 CB 1.066 11 residues pruned to eliminate duplicates Z: 7 2.723 1.482 0.422 0.293 1.000 0.500 CB 0.665 7 residues pruned to eliminate duplicates Z: 12 7.172 1.872 0.312 0.361 0.909 0.545 CB 1.124 12 residues pruned to eliminate duplicates Z: 11 8.199 1.893 0.365 0.514 0.900 0.900 CB 1.100 11 residues pruned to eliminate duplicates Z: 10 7.381 1.899 0.293 0.470 0.889 0.667 CB 1.162 10 residues pruned to eliminate duplicates Z: 11 8.716 1.790 0.359 0.553 1.000 0.900 CB 1.076 11 residues pruned to eliminate duplicates Z: 8 10.589 2.003 0.241 0.583 1.000 0.857 CA 1.487 8 residues pruned to eliminate duplicates Z: 6 9.080 1.923 0.199 0.863 1.000 1.000 CA 1.292 6 residues pruned to eliminate duplicates Z: 10 5.748 1.831 -0.016 0.417 0.889 0.444 N 1.305 10 residues pruned to eliminate duplicates Z: 9 8.241 1.786 0.156 0.510 1.000 0.750 N 1.397 9 residues pruned to eliminate duplicates Z: 12 8.721 1.830 0.346 0.439 0.818 0.455 CA 1.388 12 residues pruned to eliminate duplicates Z: 11 5.108 1.802 0.112 0.379 0.700 0.500 CB 1.309 11 residues pruned to eliminate duplicates Z: 23 11.129 1.797 0.502 0.413 0.727 0.500 N 1.324 34 residues pruned to eliminate duplicates Z: 15 7.102 1.726 0.146 0.432 0.714 0.571 CB 1.441 Z: 6 3.693 1.758 0.348 0.387 0.600 0.400 CB 1.310 6 residues pruned to eliminate duplicates Z: 20 18.757 2.104 0.381 0.421 0.947 0.526 CA 1.697 20 residues pruned to eliminate duplicates Z: 38 27.369 2.138 0.538 0.464 0.892 0.568 CA 1.591 38 residues pruned to eliminate duplicates Z: 6 7.551 1.972 0.631 0.472 1.000 0.600 CA 1.080 6 residues pruned to eliminate duplicates Z: 26 18.274 2.045 0.432 0.383 0.880 0.560 CA 1.605 26 residues pruned to eliminate duplicates Z: 6 6.265 2.102 0.272 0.353 1.000 0.400 CA 1.228 6 residues pruned to eliminate duplicates Z: 38 25.811 2.112 0.450 0.480 0.919 0.514 CA 1.538 38 residues pruned to eliminate duplicates Z: 38 23.401 2.133 0.421 0.464 0.838 0.568 CA 1.571 38 residues pruned to eliminate duplicates Z: 39 24.265 2.108 0.397 0.438 0.921 0.605 CA 1.547 39 residues pruned to eliminate duplicates Z: 6 7.422 2.068 0.407 0.440 1.000 0.400 CA 1.214 6 residues pruned to eliminate duplicates Z: 39 27.277 2.115 0.478 0.503 0.921 0.579 CA 1.531 38 residues pruned to eliminate duplicates Z: 7 8.118 1.783 0.443 0.752 0.667 0.333 O 1.543 Z: 9 10.244 1.799 0.498 0.775 0.750 0.125 CB 1.406 7 residues pruned to eliminate duplicates Z: 6 6.085 1.772 0.574 0.807 0.600 0.000 CB 1.245 6 residues pruned to eliminate duplicates Z: 6 4.562 1.620 0.994 0.637 0.600 0.000 CB 0.926 6 residues pruned to eliminate duplicates Z: 6 6.762 1.777 0.394 0.397 1.000 0.600 CA 1.361 6 residues pruned to eliminate duplicates Z: 28 15.763 2.004 0.228 0.334 0.889 0.407 CA 1.663 28 residues pruned to eliminate duplicates Z: 25 18.114 2.016 0.379 0.363 0.917 0.417 CB 1.682 25 residues pruned to eliminate duplicates Z: 21 19.120 2.017 0.541 0.449 0.900 0.550 N 1.611 31 residues pruned to eliminate duplicates Z: 6 2.160 1.498 -0.010 0.307 1.000 0.400 CA 0.807 6 residues pruned to eliminate duplicates Z: 26 18.212 2.057 0.508 0.368 0.800 0.400 CB 1.691 21 residues pruned to eliminate duplicates Z: 7 8.501 1.640 0.497 0.506 1.000 0.667 CB 1.405 7 residues pruned to eliminate duplicates Z: 26 16.577 2.024 0.347 0.351 0.880 0.520 CB 1.624 27 residues pruned to eliminate duplicates Z: 6 2.840 1.417 0.649 0.293 0.800 0.600 CB 0.856 6 residues pruned to eliminate duplicates Z: 22 16.146 2.152 0.242 0.412 0.952 0.524 CB 1.519 22 residues pruned to eliminate duplicates Z: 43 21.473 1.993 0.322 0.492 0.952 0.524 CA 1.331 44 residues pruned to eliminate duplicates Z: 10 7.862 1.691 0.473 0.477 0.778 0.444 C 1.385 10 residues pruned to eliminate duplicates Z: 16 12.253 2.025 0.496 0.443 0.800 0.267 CA 1.385 16 residues pruned to eliminate duplicates Z: 46 26.578 2.040 0.315 0.572 0.978 0.489 CA 1.410 47 residues pruned to eliminate duplicates Z: 8 4.180 1.270 0.575 0.536 1.000 0.714 N 0.762 8 residues pruned to eliminate duplicates Z: 22 14.791 2.145 0.376 0.382 0.857 0.571 CB 1.446 22 residues pruned to eliminate duplicates Z: 44 23.793 1.947 0.458 0.531 0.907 0.605 CA 1.366 43 residues pruned to eliminate duplicates Z: 20 18.217 2.094 0.201 0.827 1.000 0.684 CA 1.252 20 residues pruned to eliminate duplicates Z: 14 14.901 2.094 0.610 0.775 0.846 0.385 CA 1.136 14 residues pruned to eliminate duplicates Z: 21 16.690 1.964 0.714 0.689 0.850 0.600 CA 1.097 21 residues pruned to eliminate duplicates Z: 28 15.633 1.955 0.377 0.622 0.889 0.593 CA 1.120 28 residues pruned to eliminate duplicates Z: 34 22.098 2.014 0.553 0.509 0.909 0.364 CA 1.341 34 residues pruned to eliminate duplicates Z: 86 42.762 2.081 0.514 0.542 0.929 0.588 CA 1.520 88 residues pruned to eliminate duplicates Z: 21 22.037 1.974 0.775 0.867 0.950 0.600 CA 1.083 21 residues pruned to eliminate duplicates Z: 14 15.983 2.029 0.592 0.773 0.923 0.308 CA 1.167 14 residues pruned to eliminate duplicates Z: 15 12.280 2.013 0.580 0.710 0.857 0.500 CA 0.995 15 residues pruned to eliminate duplicates Z: 37 23.539 2.044 0.506 0.699 0.889 0.639 CA 1.196 37 residues pruned to eliminate duplicates Z: 41 28.466 2.026 0.578 0.574 0.925 0.475 CA 1.418 39 residues pruned to eliminate duplicates Z: 18 20.376 1.972 0.775 0.867 1.000 0.471 CA 1.033 18 residues pruned to eliminate duplicates Z: 30 20.228 2.001 0.559 0.621 0.862 0.483 CA 1.245 30 residues pruned to eliminate duplicates Z: 24 20.879 2.006 0.587 0.784 0.913 0.652 CA 1.167 24 residues pruned to eliminate duplicates Z: 21 23.661 2.006 0.826 0.699 0.950 0.600 CA 1.268 21 residues pruned to eliminate duplicates Z: 19 22.398 2.043 0.738 0.734 1.000 0.556 CA 1.205 19 residues pruned to eliminate duplicates Z: 27 22.431 2.079 0.606 0.622 0.885 0.538 CA 1.328 27 residues pruned to eliminate duplicates Z: 24 25.574 2.124 0.695 0.749 0.957 0.652 CA 1.240 24 residues pruned to eliminate duplicates Z: 34 27.271 2.101 0.599 0.667 0.909 0.545 CA 1.331 34 residues pruned to eliminate duplicates Z: 45 29.045 2.079 0.561 0.555 0.909 0.432 CA 1.407 45 residues pruned to eliminate duplicates Z: 38 29.290 2.019 0.589 0.675 0.919 0.595 CA 1.390 38 residues pruned to eliminate duplicates Z: 28 21.751 2.030 0.723 0.634 0.889 0.444 CA 1.188 28 residues pruned to eliminate duplicates Z: 62 43.443 2.086 0.655 0.576 0.967 0.590 CA 1.548 62 residues pruned to eliminate duplicates Z: 14 25.220 2.177 0.640 0.773 1.000 0.769 CB 1.540 14 residues pruned to eliminate duplicates Z: 62 39.566 2.110 0.535 0.609 0.934 0.639 CA 1.510 62 residues pruned to eliminate duplicates Z: 43 33.961 2.076 0.682 0.682 0.905 0.548 CA 1.403 43 residues pruned to eliminate duplicates Z: 61 36.261 2.086 0.602 0.564 0.900 0.517 CA 1.464 61 residues pruned to eliminate duplicates Z: 30 25.876 2.065 0.748 0.682 0.897 0.586 CA 1.256 30 residues pruned to eliminate duplicates Z: 53 28.960 2.037 0.681 0.473 0.865 0.462 CA 1.394 53 residues pruned to eliminate duplicates Z: 32 24.869 1.975 0.815 0.581 0.871 0.516 CA 1.324 32 residues pruned to eliminate duplicates Z: 46 34.887 2.104 0.752 0.496 0.911 0.489 CB 1.555 46 residues pruned to eliminate duplicates Z: 66 41.014 2.116 0.651 0.575 0.908 0.569 CA 1.492 66 residues pruned to eliminate duplicates Z: 67 45.771 2.099 0.686 0.605 0.955 0.545 CA 1.509 67 residues pruned to eliminate duplicates Z: 19 25.295 2.069 0.717 0.716 1.000 0.722 CB 1.381 19 residues pruned to eliminate duplicates Z: 56 36.647 2.082 0.642 0.551 0.964 0.582 CA 1.427 56 residues pruned to eliminate duplicates Z: 57 40.294 2.090 0.719 0.563 0.946 0.554 CA 1.489 57 residues pruned to eliminate duplicates Z: 37 27.954 1.982 0.685 0.594 0.917 0.472 CA 1.391 37 residues pruned to eliminate duplicates Z: 82 41.967 2.087 0.579 0.533 0.914 0.556 CA 1.499 82 residues pruned to eliminate duplicates Z: 8 12.780 2.029 0.734 0.467 0.857 0.714 CA 1.657 8 residues pruned to eliminate duplicates Z: 13 12.757 1.968 0.659 0.427 0.833 0.583 CB 1.460 13 residues pruned to eliminate duplicates Z: 37 23.810 2.087 0.665 0.433 0.833 0.500 CB 1.468 37 residues pruned to eliminate duplicates Z: 69 45.695 2.095 0.662 0.602 0.956 0.574 CA 1.510 68 residues pruned to eliminate duplicates Z: 6 3.472 1.786 0.388 0.411 0.800 0.200 CA 0.859 6 residues pruned to eliminate duplicates Z: 27 19.669 2.074 0.466 0.333 0.962 0.538 CB 1.585 27 residues pruned to eliminate duplicates Z: 26 21.591 2.064 0.580 0.411 0.880 0.560 CB 1.651 26 residues pruned to eliminate duplicates Z: 24 23.483 2.134 0.600 0.448 0.913 0.522 CB 1.658 25 residues pruned to eliminate duplicates Z: 11 18.267 2.017 0.634 0.704 1.000 0.800 CA 1.456 11 residues pruned to eliminate duplicates Z: 17 14.366 1.956 0.449 0.419 0.875 0.625 CA 1.577 17 residues pruned to eliminate duplicates Z: 65 40.630 2.084 0.641 0.601 0.969 0.578 CA 1.393 65 residues pruned to eliminate duplicates Z: 26 21.585 2.071 0.536 0.462 0.880 0.560 CA 1.602 26 residues pruned to eliminate duplicates Z: 24 21.644 2.108 0.517 0.474 0.870 0.565 CB 1.666 24 residues pruned to eliminate duplicates Z: 30 20.253 1.938 0.752 0.367 0.828 0.448 CB 1.545 30 residues pruned to eliminate duplicates Z: 24 24.413 2.099 0.691 0.489 0.870 0.522 CB 1.668 24 residues pruned to eliminate duplicates Z: 68 42.490 2.102 0.655 0.583 0.940 0.507 CA 1.466 68 residues pruned to eliminate duplicates Z: 7 4.646 1.879 0.297 0.235 0.833 0.333 CB 1.271 7 residues pruned to eliminate duplicates Z: 6 8.380 1.939 0.875 0.448 1.000 0.400 CB 1.087 6 residues pruned to eliminate duplicates Z: 7 4.023 1.825 0.532 0.472 0.833 0.500 CB 0.725 7 residues pruned to eliminate duplicates Z: 13 12.734 2.005 0.624 0.429 0.917 0.667 CB 1.326 12 residues pruned to eliminate duplicates Z: 6 6.434 2.067 0.901 0.362 0.600 0.600 CB 1.416 6 residues pruned to eliminate duplicates Z: 14 11.139 2.058 0.737 0.328 0.769 0.462 CB 1.357 14 residues pruned to eliminate duplicates Z: 13 10.897 2.071 0.487 0.351 0.750 0.417 CA 1.600 13 residues pruned to eliminate duplicates Z: 13 15.680 2.129 0.663 0.376 0.917 0.500 CA 1.592 13 residues pruned to eliminate duplicates Z: 6 3.470 1.729 0.722 0.286 0.600 0.400 CA 1.105 6 residues pruned to eliminate duplicates Z: 24 22.135 2.226 0.490 0.552 0.957 0.609 CA 1.382 24 residues pruned to eliminate duplicates Z: 64 44.473 2.253 0.532 0.526 0.952 0.540 CA 1.661 64 residues pruned to eliminate duplicates Z: 43 36.629 2.255 0.523 0.607 0.952 0.524 CA 1.562 43 residues pruned to eliminate duplicates Z: 72 47.100 2.234 0.609 0.525 0.915 0.521 CA 1.657 72 residues pruned to eliminate duplicates Z: 41 34.573 2.231 0.580 0.557 0.925 0.525 CA 1.586 41 residues pruned to eliminate duplicates Z: 72 44.440 2.249 0.506 0.535 0.901 0.549 CA 1.669 72 residues pruned to eliminate duplicates Z: 36 26.582 2.194 0.419 0.553 0.943 0.600 CA 1.453 36 residues pruned to eliminate duplicates Z: 62 48.048 2.262 0.565 0.554 0.984 0.557 CA 1.676 62 residues pruned to eliminate duplicates Z: 22 22.830 2.257 0.621 0.574 0.905 0.286 CA 1.402 22 residues pruned to eliminate duplicates Z: 16 25.691 2.250 0.795 0.699 0.867 0.333 CA 1.581 16 residues pruned to eliminate duplicates Z: 34 31.290 2.232 0.566 0.623 0.909 0.606 CA 1.527 34 residues pruned to eliminate duplicates Z: 45 36.425 2.228 0.436 0.620 0.932 0.455 CB 1.644 45 residues pruned to eliminate duplicates Z: 24 18.266 2.174 0.469 0.505 0.870 0.391 CA 1.364 24 residues pruned to eliminate duplicates Z: 46 46.455 2.210 0.628 0.682 0.978 0.511 CA 1.665 46 residues pruned to eliminate duplicates Z: 53 36.437 2.170 0.670 0.578 0.827 0.462 CA 1.564 53 residues pruned to eliminate duplicates Z: 52 43.661 2.220 0.705 0.587 0.902 0.431 CA 1.648 52 residues pruned to eliminate duplicates Z: 89 48.073 2.182 0.552 0.489 0.920 0.523 CA 1.663 89 residues pruned to eliminate duplicates Z: 101 51.768 2.201 0.428 0.563 0.930 0.510 CB 1.667 102 residues pruned to eliminate duplicates Z: 22 39.318 2.242 0.778 0.925 0.952 0.476 CA 1.585 22 residues pruned to eliminate duplicates Z: 43 44.525 2.291 0.636 0.650 0.952 0.452 CA 1.673 43 residues pruned to eliminate duplicates Z: 64 43.228 2.231 0.545 0.540 0.952 0.508 CA 1.596 64 residues pruned to eliminate duplicates Z: 31 40.255 2.248 0.781 0.706 1.000 0.567 CA 1.522 31 residues pruned to eliminate duplicates Z: 46 40.214 2.227 0.575 0.612 0.978 0.467 CA 1.572 46 residues pruned to eliminate duplicates Z: 72 45.268 2.272 0.534 0.510 0.915 0.493 CA 1.667 72 residues pruned to eliminate duplicates Z: 46 39.423 2.230 0.584 0.604 0.933 0.467 CA 1.614 46 residues pruned to eliminate duplicates Z: 59 39.645 2.224 0.644 0.528 0.862 0.569 CA 1.608 59 residues pruned to eliminate duplicates Z: 61 47.182 2.256 0.575 0.566 0.967 0.500 CA 1.664 61 residues pruned to eliminate duplicates Z: 13 17.431 2.109 0.359 0.679 1.000 0.417 CB 1.489 13 residues pruned to eliminate duplicates Z: 46 38.881 2.216 0.609 0.597 0.911 0.556 CA 1.627 46 residues pruned to eliminate duplicates Z: 71 47.123 2.262 0.527 0.527 0.943 0.486 CB 1.684 71 residues pruned to eliminate duplicates Z: 53 41.078 2.236 0.568 0.595 0.904 0.519 CA 1.642 53 residues pruned to eliminate duplicates Z: 64 46.263 2.229 0.692 0.527 0.921 0.492 CA 1.634 64 residues pruned to eliminate duplicates Z: 41 39.243 2.292 0.641 0.663 0.900 0.500 CA 1.576 41 residues pruned to eliminate duplicates Z: 17 15.400 2.171 0.351 0.490 0.875 0.312 CB 1.515 17 residues pruned to eliminate duplicates Z: 62 43.165 2.233 0.540 0.542 0.967 0.459 CA 1.595 62 residues pruned to eliminate duplicates Z: 73 47.058 2.197 0.649 0.519 0.931 0.542 CA 1.614 73 residues pruned to eliminate duplicates Z: 54 38.473 2.203 0.563 0.586 0.925 0.472 CB 1.528 54 residues pruned to eliminate duplicates Z: 72 46.657 2.251 0.611 0.524 0.901 0.493 CA 1.655 72 residues pruned to eliminate duplicates Z: 31 23.894 2.182 0.605 0.356 0.900 0.500 CB 1.617 31 residues pruned to eliminate duplicates Z: 71 50.002 2.255 0.588 0.557 0.971 0.486 CA 1.625 71 residues pruned to eliminate duplicates Z: 55 42.268 2.268 0.539 0.561 0.926 0.519 CA 1.677 55 residues pruned to eliminate duplicates Z: 87 50.718 2.199 0.531 0.557 0.907 0.465 CB 1.695 87 residues pruned to eliminate duplicates Z: 95 49.387 2.191 0.503 0.501 0.915 0.489 CA 1.688 95 residues pruned to eliminate duplicates Z: 97 53.298 2.215 0.488 0.536 0.938 0.552 CA 1.698 97 residues pruned to eliminate duplicates Z: 98 51.698 2.206 0.475 0.527 0.918 0.567 CA 1.712 98 residues pruned to eliminate duplicates Z: 98 56.214 2.224 0.572 0.548 0.928 0.598 CB 1.679 98 residues pruned to eliminate duplicates Z: 87 48.249 2.203 0.494 0.517 0.907 0.640 CA 1.713 87 residues pruned to eliminate duplicates Z: 14 10.533 2.187 0.624 0.238 0.923 0.385 CA 1.207 14 residues pruned to eliminate duplicates Z: 109 54.420 2.184 0.534 0.548 0.889 0.528 CA 1.678 109 residues pruned to eliminate duplicates Z: 6 6.323 1.720 1.019 0.254 0.800 0.400 CA 1.350 6 residues pruned to eliminate duplicates Z: 62 45.461 2.246 0.676 0.513 0.934 0.525 CA 1.634 62 residues pruned to eliminate duplicates Z: 33 20.338 2.172 0.403 0.366 0.781 0.469 CA 1.744 33 residues pruned to eliminate duplicates Z: 64 48.330 2.237 0.628 0.535 0.968 0.429 CA 1.668 64 residues pruned to eliminate duplicates Z: 7 4.249 1.919 0.104 0.408 1.000 0.333 CA 0.901 7 residues pruned to eliminate duplicates Z: 40 24.111 2.202 0.251 0.449 0.846 0.538 CA 1.745 40 residues pruned to eliminate duplicates Z: 49 25.892 2.147 0.308 0.400 0.875 0.542 CB 1.691 49 residues pruned to eliminate duplicates Z: 37 26.600 2.171 0.340 0.505 0.889 0.556 CA 1.705 37 residues pruned to eliminate duplicates Z: 37 22.215 2.147 0.410 0.345 0.861 0.528 CA 1.681 37 residues pruned to eliminate duplicates Z: 63 40.972 2.231 0.651 0.533 0.823 0.516 CB 1.662 63 residues pruned to eliminate duplicates Z: 35 18.720 2.118 0.417 0.357 0.794 0.588 CA 1.571 35 residues pruned to eliminate duplicates Z: 74 41.680 2.194 0.589 0.488 0.877 0.466 CA 1.616 74 residues pruned to eliminate duplicates Z: 87 46.463 2.186 0.556 0.511 0.907 0.535 CA 1.607 87 residues pruned to eliminate duplicates Z: 88 44.964 2.183 0.553 0.506 0.874 0.494 CA 1.617 88 residues pruned to eliminate duplicates Z: 47 22.463 2.096 0.495 0.299 0.848 0.435 CA 1.561 47 residues pruned to eliminate duplicates Z: 81 34.980 2.103 0.444 0.468 0.850 0.588 CB 1.564 81 residues pruned to eliminate duplicates Z: 92 51.596 2.236 0.500 0.520 0.934 0.549 CA 1.692 92 residues pruned to eliminate duplicates Z: 87 49.414 2.213 0.591 0.499 0.895 0.500 CB 1.691 87 residues pruned to eliminate duplicates Z: 91 49.963 2.236 0.504 0.546 0.911 0.556 CA 1.643 91 residues pruned to eliminate duplicates Z: 28 19.622 2.081 0.137 0.517 0.889 0.556 CB 1.766 28 residues pruned to eliminate duplicates Z: 101 46.551 2.175 0.396 0.535 0.900 0.510 CB 1.645 101 residues pruned to eliminate duplicates Z: 11 13.548 2.085 0.231 0.547 1.000 0.600 N 1.595 11 residues pruned to eliminate duplicates Z: 16 8.402 1.639 0.800 0.296 0.733 0.467 N 1.259 16 residues pruned to eliminate duplicates Z: 13 11.447 1.991 0.447 0.506 0.750 0.500 N 1.521 13 residues pruned to eliminate duplicates Z: 25 24.658 2.177 0.240 0.686 0.917 0.708 CB 1.716 25 residues pruned to eliminate duplicates Z: 24 22.509 2.068 0.288 0.637 0.957 0.783 CA 1.621 24 residues pruned to eliminate duplicates Z: 43 19.058 2.004 0.277 0.533 0.833 0.619 CB 1.335 43 residues pruned to eliminate duplicates Z: 19 20.583 2.129 0.225 0.662 1.000 0.722 CB 1.600 19 residues pruned to eliminate duplicates Z: 21 18.296 2.094 0.180 0.705 0.950 0.800 CB 1.446 21 residues pruned to eliminate duplicates Z: 70 40.162 2.191 0.490 0.513 0.884 0.536 CB 1.654 70 residues pruned to eliminate duplicates Z: 22 26.682 2.170 0.379 0.766 0.952 0.810 CB 1.614 22 residues pruned to eliminate duplicates Z: 17 23.827 2.282 0.258 0.686 0.938 0.812 CB 1.867 17 residues pruned to eliminate duplicates Z: 29 23.051 2.098 0.257 0.665 0.857 0.714 CB 1.654 29 residues pruned to eliminate duplicates Z: 126 49.584 2.151 0.499 0.503 0.880 0.520 CB 1.558 126 residues pruned to eliminate duplicates Z: 17 21.920 2.134 0.396 0.893 1.000 0.938 CB 1.321 17 residues pruned to eliminate duplicates Z: 97 51.184 2.186 0.610 0.560 0.865 0.542 CB 1.619 97 residues pruned to eliminate duplicates Z: 17 28.943 2.086 0.642 0.911 1.000 0.750 CB 1.497 17 residues pruned to eliminate duplicates Z: 27 28.534 2.118 0.442 0.703 0.923 0.615 CB 1.649 27 residues pruned to eliminate duplicates Z: 28 27.794 2.071 0.521 0.686 0.926 0.630 CB 1.546 28 residues pruned to eliminate duplicates Z: 22 20.652 2.119 0.651 0.645 0.810 0.333 CB 1.390 22 residues pruned to eliminate duplicates Z: 40 23.364 1.923 0.431 0.578 0.846 0.462 CB 1.491 40 residues pruned to eliminate duplicates Z: 36 24.508 2.060 0.549 0.603 0.800 0.429 CB 1.473 36 residues pruned to eliminate duplicates Z: 34 25.190 2.087 0.463 0.618 0.818 0.424 CB 1.571 34 residues pruned to eliminate duplicates Z: 48 22.147 1.967 0.441 0.498 0.851 0.404 CB 1.342 48 residues pruned to eliminate duplicates Z: 33 29.486 2.083 0.564 0.642 0.875 0.500 CB 1.601 33 residues pruned to eliminate duplicates Z: 61 24.293 1.954 0.504 0.471 0.783 0.433 CB 1.402 61 residues pruned to eliminate duplicates Z: 41 27.230 2.077 0.587 0.580 0.800 0.450 CB 1.512 41 residues pruned to eliminate duplicates Z: 57 22.730 1.992 0.389 0.511 0.804 0.429 CB 1.351 57 residues pruned to eliminate duplicates Z: 9 4.308 1.928 -0.047 0.232 0.750 0.125 CB 1.512 9 residues pruned to eliminate duplicates Z: 59 24.653 2.016 0.367 0.522 0.828 0.414 CB 1.388 59 residues pruned to eliminate duplicates Z: 32 17.442 2.028 0.439 0.567 0.710 0.290 CB 1.418 32 residues pruned to eliminate duplicates Z: 53 25.103 2.015 0.438 0.530 0.865 0.519 CB 1.347 53 residues pruned to eliminate duplicates Z: 25 11.362 1.975 0.294 0.354 0.875 0.500 CB 1.214 25 residues pruned to eliminate duplicates Z: 34 13.083 1.991 0.206 0.450 0.788 0.424 CB 1.268 34 residues pruned to eliminate duplicates Z: 56 28.793 2.071 0.478 0.556 0.855 0.509 CB 1.405 56 residues pruned to eliminate duplicates Z: 58 26.590 2.009 0.386 0.513 0.842 0.456 CB 1.483 58 residues pruned to eliminate duplicates Z: 40 22.104 2.046 0.502 0.555 0.821 0.385 CB 1.331 40 residues pruned to eliminate duplicates Z: 16 11.701 1.983 0.249 0.462 1.000 0.600 CB 1.268 16 residues pruned to eliminate duplicates Z: 16 10.364 1.971 0.445 0.396 0.867 0.400 CB 1.209 16 residues pruned to eliminate duplicates Z: 20 10.839 1.940 0.238 0.495 0.947 0.526 CB 1.098 20 residues pruned to eliminate duplicates Z: 17 9.078 2.017 0.172 0.480 0.875 0.625 CB 1.120 17 residues pruned to eliminate duplicates Z: 28 11.169 2.006 0.191 0.323 0.778 0.444 CB 1.405 28 residues pruned to eliminate duplicates Z: 14 9.579 1.912 0.174 0.401 0.923 0.308 N 1.422 14 residues pruned to eliminate duplicates Z: 14 13.380 2.113 0.428 0.474 0.923 0.615 CB 1.368 14 residues pruned to eliminate duplicates Z: 18 11.404 1.911 0.219 0.428 1.000 0.471 CB 1.280 18 residues pruned to eliminate duplicates Z: 21 13.944 1.978 0.346 0.420 0.950 0.450 CB 1.339 21 residues pruned to eliminate duplicates Z: 20 11.804 1.987 0.193 0.460 0.895 0.579 CB 1.330 20 residues pruned to eliminate duplicates Z: 14 8.546 1.741 0.275 0.381 0.846 0.615 CB 1.432 14 residues pruned to eliminate duplicates Z: 18 11.547 2.002 0.267 0.493 0.941 0.588 CB 1.180 18 residues pruned to eliminate duplicates Z: 15 9.621 1.937 0.080 0.391 0.857 0.500 CB 1.609 15 residues pruned to eliminate duplicates Z: 9 5.657 1.750 0.143 0.400 0.875 0.375 CB 1.270 9 residues pruned to eliminate duplicates Z: 16 8.823 1.892 0.328 0.446 0.867 0.333 CB 1.105 16 residues pruned to eliminate duplicates Z: 10 4.967 1.837 0.395 0.170 0.778 0.333 CA 1.240 10 residues pruned to eliminate duplicates Z: 12 4.909 1.746 0.578 0.135 0.636 0.364 CA 1.329 12 residues pruned to eliminate duplicates Z: 8 4.905 1.920 0.213 0.223 0.714 0.286 O 1.541 8 residues pruned to eliminate duplicates Z: 8 4.693 1.870 0.303 0.205 0.714 0.286 CA 1.445 8 residues pruned to eliminate duplicates Z: 9 4.210 1.925 0.341 0.160 0.625 0.250 CA 1.397 9 residues pruned to eliminate duplicates Z: 17 12.196 1.873 0.372 0.351 0.938 0.375 CA 1.487 17 residues pruned to eliminate duplicates Z: 11 6.610 1.882 0.159 0.394 0.900 0.200 CB 1.191 11 residues pruned to eliminate duplicates Z: 12 6.563 1.869 0.011 0.357 1.000 0.182 CB 1.222 12 residues pruned to eliminate duplicates Z: 26 13.645 1.982 0.403 0.327 0.880 0.320 CA 1.348 26 residues pruned to eliminate duplicates Z: 12 6.567 2.001 0.117 0.256 0.818 0.273 CA 1.432 12 residues pruned to eliminate duplicates Z: 12 9.966 1.954 0.343 0.488 0.909 0.364 CB 1.276 12 residues pruned to eliminate duplicates Z: 14 10.823 1.905 0.637 0.303 0.846 0.385 CA 1.417 14 residues pruned to eliminate duplicates Z: 18 12.905 1.977 0.590 0.310 0.824 0.471 CA 1.493 18 residues pruned to eliminate duplicates Z: 18 15.738 2.034 0.514 0.346 0.941 0.588 CA 1.556 18 residues pruned to eliminate duplicates Z: 43 19.533 1.974 0.280 0.402 0.905 0.548 CA 1.461 43 residues pruned to eliminate duplicates Z: 13 8.595 1.815 0.356 0.231 1.000 0.583 CA 1.379 13 residues pruned to eliminate duplicates Z: 13 7.932 1.944 0.249 0.212 1.000 0.500 CB 1.326 13 residues pruned to eliminate duplicates Z: 18 14.703 1.950 0.652 0.384 0.882 0.706 CB 1.419 18 residues pruned to eliminate duplicates Z: 23 14.323 1.943 0.735 0.275 0.818 0.500 CA 1.429 23 residues pruned to eliminate duplicates Z: 21 17.345 2.073 0.647 0.447 0.800 0.550 CA 1.498 21 residues pruned to eliminate duplicates Z: 48 36.275 2.100 0.619 0.558 0.936 0.745 CA 1.571 48 residues pruned to eliminate duplicates Z: 22 11.758 1.987 0.503 0.296 0.810 0.524 CA 1.334 22 residues pruned to eliminate duplicates Z: 19 13.418 2.002 0.470 0.372 0.833 0.556 CA 1.479 19 residues pruned to eliminate duplicates Z: 13 9.854 1.876 0.800 0.390 0.750 0.667 CA 1.262 13 residues pruned to eliminate duplicates Z: 19 12.839 2.051 0.456 0.379 0.778 0.556 CA 1.482 19 residues pruned to eliminate duplicates Z: 57 32.836 2.024 0.459 0.574 0.911 0.696 CA 1.519 57 residues pruned to eliminate duplicates Z: 39 37.428 2.060 0.580 0.649 0.947 0.632 CA 1.713 39 residues pruned to eliminate duplicates Z: 37 19.453 1.933 0.645 0.345 0.778 0.500 CA 1.551 37 residues pruned to eliminate duplicates Z: 14 10.885 2.013 0.410 0.408 0.846 0.385 CB 1.385 14 residues pruned to eliminate duplicates Z: 34 24.555 2.068 0.500 0.555 0.848 0.606 CB 1.539 34 residues pruned to eliminate duplicates Z: 58 31.182 1.997 0.437 0.492 0.930 0.526 CA 1.559 58 residues pruned to eliminate duplicates Z: 39 34.561 2.050 0.579 0.625 0.921 0.658 CB 1.671 39 residues pruned to eliminate duplicates Z: 26 19.348 2.020 0.498 0.501 0.880 0.720 CB 1.452 26 residues pruned to eliminate duplicates Z: 43 31.722 1.995 0.497 0.611 0.929 0.643 CA 1.588 43 residues pruned to eliminate duplicates Z: 31 27.943 2.045 0.556 0.667 0.900 0.633 CA 1.527 31 residues pruned to eliminate duplicates Z: 40 40.208 2.038 0.749 0.685 0.974 0.718 CB 1.564 42 residues pruned to eliminate duplicates Z: 23 35.780 2.123 0.564 0.848 1.000 0.636 CB 1.705 23 residues pruned to eliminate duplicates Z: 20 26.713 2.107 0.623 0.759 1.000 0.737 CB 1.424 20 residues pruned to eliminate duplicates Z: 21 23.157 2.110 0.450 0.639 0.900 0.650 CB 1.652 21 residues pruned to eliminate duplicates Z: 28 30.244 1.976 0.522 0.737 0.963 0.704 CB 1.625 28 residues pruned to eliminate duplicates Z: 40 33.457 2.073 0.586 0.642 0.846 0.667 CB 1.686 40 residues pruned to eliminate duplicates Z: 32 32.562 2.009 0.688 0.691 0.871 0.484 CB 1.662 32 residues pruned to eliminate duplicates Z: 11 21.064 2.102 0.624 0.817 1.000 0.500 CB 1.482 11 residues pruned to eliminate duplicates Z: 33 37.800 2.120 0.741 0.702 0.938 0.688 CB 1.607 33 residues pruned to eliminate duplicates Z: 31 40.517 2.104 0.696 0.764 1.000 0.767 CB 1.640 31 residues pruned to eliminate duplicates Z: 26 34.165 2.091 0.661 0.792 0.960 0.600 CB 1.586 26 residues pruned to eliminate duplicates Z: 44 33.787 1.995 0.734 0.618 0.907 0.512 CB 1.469 44 residues pruned to eliminate duplicates Z: 38 31.915 2.001 0.599 0.619 0.946 0.514 CB 1.549 38 residues pruned to eliminate duplicates Z: 21 22.492 1.926 0.678 0.714 0.850 0.200 CB 1.508 21 residues pruned to eliminate duplicates Z: 54 37.722 2.058 0.644 0.561 0.925 0.509 CA 1.561 54 residues pruned to eliminate duplicates Z: 23 31.690 2.112 0.720 0.813 0.909 0.545 CB 1.559 23 residues pruned to eliminate duplicates Z: 25 30.414 2.044 0.564 0.822 0.875 0.417 CB 1.679 25 residues pruned to eliminate duplicates Z: 45 25.819 1.950 0.516 0.595 0.818 0.409 CB 1.469 45 residues pruned to eliminate duplicates Z: 18 28.814 1.997 0.822 0.814 0.882 0.471 CB 1.657 18 residues pruned to eliminate duplicates Z: 37 31.364 2.096 0.625 0.689 0.833 0.528 CB 1.549 37 residues pruned to eliminate duplicates Z: 27 36.424 2.032 0.846 0.821 0.885 0.538 CB 1.629 27 residues pruned to eliminate duplicates Z: 15 20.425 1.918 0.744 0.711 0.857 0.571 CA 1.572 15 residues pruned to eliminate duplicates Z: 16 20.093 1.979 0.575 0.745 0.800 0.533 CB 1.672 16 residues pruned to eliminate duplicates Z: 27 27.843 2.018 0.605 0.784 0.846 0.577 CB 1.552 27 residues pruned to eliminate duplicates Z: 53 30.572 1.950 0.681 0.541 0.808 0.423 CB 1.539 53 residues pruned to eliminate duplicates Z: 48 35.407 2.023 0.696 0.577 0.894 0.511 CB 1.564 48 residues pruned to eliminate duplicates Z: 32 33.398 2.054 0.621 0.731 0.935 0.548 CB 1.565 32 residues pruned to eliminate duplicates Z: 14 9.376 1.756 0.566 0.356 0.769 0.231 N 1.435 11 residues pruned to eliminate duplicates Z: 7 4.049 1.570 0.416 0.394 0.667 0.500 N 1.248 7 residues pruned to eliminate duplicates Z: 16 5.776 1.436 0.548 0.262 0.867 0.333 CB 1.016 16 residues pruned to eliminate duplicates Z: 6 6.016 1.867 0.960 0.430 1.000 0.400 CB 0.791 6 residues pruned to eliminate duplicates Z: 9 7.480 1.722 1.000 0.355 0.750 0.500 N 1.198 9 residues pruned to eliminate duplicates Z: 8 4.774 1.830 0.623 0.341 0.714 0.286 CB 1.011 8 residues pruned to eliminate duplicates Z: 8 6.246 1.855 0.808 0.477 0.571 0.143 CB 1.260 8 residues pruned to eliminate duplicates Z: 10 8.893 1.807 0.845 0.416 0.778 0.222 CB 1.249 10 residues pruned to eliminate duplicates Z: 17 7.240 1.880 0.400 0.353 0.750 0.438 CB 1.075 15 residues pruned to eliminate duplicates Z: 11 6.143 1.667 0.567 0.540 0.700 0.300 CB 1.022 11 residues pruned to eliminate duplicates Z: 13 8.157 1.804 0.476 0.420 0.833 0.333 CB 1.154 13 residues pruned to eliminate duplicates Z: 20 7.883 1.873 0.443 0.377 0.737 0.421 CB 1.036 13 residues pruned to eliminate duplicates Z: 7 4.311 1.880 0.651 0.707 0.667 0.167 CA 0.705 7 residues pruned to eliminate duplicates Z: 12 6.264 1.887 0.313 0.382 0.727 0.273 CB 1.189 12 residues pruned to eliminate duplicates Z: 18 7.527 1.820 0.429 0.413 0.824 0.353 CB 0.934 18 residues pruned to eliminate duplicates Z: 7 2.349 1.693 0.074 0.177 0.667 0.500 N 1.169 7 residues pruned to eliminate duplicates Z: 9 7.088 1.809 0.379 0.516 0.750 0.375 CA 1.318 9 residues pruned to eliminate duplicates Z: 8 7.251 1.637 0.486 0.595 1.000 0.714 CB 1.029 8 residues pruned to eliminate duplicates Z: 8 4.870 1.755 0.206 0.312 0.714 0.143 CA 1.499 8 residues pruned to eliminate duplicates Z: 14 8.389 1.756 0.520 0.504 0.846 0.462 CB 1.026 19 residues pruned to eliminate duplicates Z: 7 2.551 1.303 0.263 0.220 0.833 0.333 CB 1.054 7 residues pruned to eliminate duplicates Z: 20 10.975 2.044 0.178 0.443 0.684 0.421 CB 1.622 20 residues pruned to eliminate duplicates Z: 15 8.557 1.998 0.256 0.285 0.714 0.429 CB 1.626 15 residues pruned to eliminate duplicates Z: 19 12.393 2.080 0.174 0.481 0.778 0.556 CA 1.567 19 residues pruned to eliminate duplicates Z: 20 13.537 1.965 0.285 0.407 0.895 0.526 CB 1.516 20 residues pruned to eliminate duplicates Z: 16 10.766 2.128 0.130 0.433 0.733 0.600 CA 1.689 16 residues pruned to eliminate duplicates Z: 13 8.405 2.088 0.436 0.312 0.667 0.417 CB 1.495 13 residues pruned to eliminate duplicates Z: 17 9.689 2.038 0.297 0.324 0.812 0.438 CB 1.369 17 residues pruned to eliminate duplicates Z: 20 9.478 1.922 0.387 0.313 0.684 0.421 CA 1.467 20 residues pruned to eliminate duplicates Z: 17 6.823 1.920 0.282 0.165 0.688 0.312 CB 1.517 6 residues pruned to eliminate duplicates Z: 12 7.817 1.698 0.217 0.641 0.909 0.545 CA 1.099 12 residues pruned to eliminate duplicates Z: 22 18.273 2.062 0.290 0.531 0.857 0.619 CB 1.696 22 residues pruned to eliminate duplicates Z: 12 10.166 1.798 0.492 0.450 0.909 0.273 CB 1.323 8 residues pruned to eliminate duplicates Z: 8 5.745 1.731 0.304 0.575 0.857 0.429 CB 1.044 8 residues pruned to eliminate duplicates Z: 38 14.136 1.916 0.286 0.303 0.838 0.297 CA 1.402 38 residues pruned to eliminate duplicates Z: 22 18.410 2.055 0.357 0.503 0.905 0.429 CA 1.588 26 residues pruned to eliminate duplicates Z: 13 22.279 2.009 0.630 0.783 1.000 0.333 CB 1.530 13 residues pruned to eliminate duplicates Z: 13 20.633 2.080 0.594 0.673 0.917 0.500 CB 1.672 13 residues pruned to eliminate duplicates Z: 29 17.737 1.866 0.547 0.444 0.893 0.286 CB 1.377 28 residues pruned to eliminate duplicates Z: 11 19.967 1.983 0.791 0.858 1.000 0.600 CB 1.309 11 residues pruned to eliminate duplicates Z: 11 17.191 2.158 0.422 0.735 0.800 0.400 CB 1.793 11 residues pruned to eliminate duplicates Z: 14 18.241 2.028 0.616 0.603 0.846 0.462 CA 1.654 14 residues pruned to eliminate duplicates Z: 14 19.031 1.995 0.561 0.610 1.000 0.385 CB 1.527 14 residues pruned to eliminate duplicates Z: 13 22.803 2.123 0.673 0.675 0.917 0.500 CB 1.720 13 residues pruned to eliminate duplicates Z: 25 18.719 1.985 0.477 0.533 0.792 0.375 CB 1.594 25 residues pruned to eliminate duplicates Z: 9 8.967 1.946 0.833 0.564 0.875 0.625 CB 0.954 9 residues pruned to eliminate duplicates Z: 12 10.235 1.927 0.609 0.497 0.818 0.545 CB 1.220 12 residues pruned to eliminate duplicates Z: 19 7.423 1.814 0.518 0.308 0.667 0.444 CB 1.180 19 residues pruned to eliminate duplicates Z: 13 11.058 1.842 0.679 0.471 0.917 0.500 CA 1.160 13 residues pruned to eliminate duplicates Z: 13 9.346 1.971 0.395 0.498 0.833 0.417 CB 1.180 13 residues pruned to eliminate duplicates Z: 10 10.153 1.893 0.584 0.538 0.889 0.556 CA 1.224 18 residues pruned to eliminate duplicates Z: 6 3.484 1.921 0.425 0.180 0.600 0.600 CA 1.395 6 residues pruned to eliminate duplicates Z: 8 3.821 2.006 0.134 0.216 0.571 0.286 CA 1.552 8 residues pruned to eliminate duplicates Z: 14 6.273 1.611 0.340 0.336 0.846 0.538 CB 1.140 14 residues pruned to eliminate duplicates Z: 7 5.516 1.911 0.015 0.491 1.000 1.000 CA 1.171 7 residues pruned to eliminate duplicates Z: 13 8.806 1.656 0.409 0.382 0.917 0.667 CB 1.347 13 residues pruned to eliminate duplicates Z: 20 14.016 1.995 0.463 0.430 0.789 0.421 CB 1.501 20 residues pruned to eliminate duplicates Z: 8 7.584 1.524 0.816 0.496 1.000 0.571 O 1.040 8 residues pruned to eliminate duplicates Z: 18 9.775 1.887 0.205 0.324 0.941 0.412 CA 1.344 18 residues pruned to eliminate duplicates Z: 17 9.647 1.893 0.415 0.267 0.938 0.375 CA 1.252 17 residues pruned to eliminate duplicates Z: 6 4.311 1.686 0.498 0.428 1.000 0.200 CA 0.822 6 residues pruned to eliminate duplicates Z: 13 12.398 1.995 0.317 0.437 1.000 0.500 CA 1.454 13 residues pruned to eliminate duplicates Z: 8 4.005 1.555 0.198 0.500 0.857 0.571 CB 0.948 8 residues pruned to eliminate duplicates Z: 14 9.696 1.835 0.353 0.462 0.769 0.538 CA 1.464 13 residues pruned to eliminate duplicates 574 residues left after pruning, divided into chains as follows: A: 14 B: 23 C: 7 D: 8 E: 21 F: 8 G: 11 H: 9 I: 14 J: 38 K: 7 L: 26 M: 86 N: 13 O: 200 P: 14 Q: 17 R: 23 S: 35 CC for partial structure against native data = 20.67 % ------------------------------------------------------------------------------ Global autotracing cycle 25 = 0.300, Contrast = 0.412, Connect. = 0.683 for dens.mod. cycle 1 = 0.300, Contrast = 0.473, Connect. = 0.704 for dens.mod. cycle 2 = 0.300, Contrast = 0.550, Connect. = 0.739 for dens.mod. cycle 3 = 0.300, Contrast = 0.556, Connect. = 0.743 for dens.mod. cycle 4 = 0.300, Contrast = 0.563, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.567, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.570, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.572, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.574, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.574, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6902 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1200 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 17.205 2.021 0.570 0.832 0.800 0.500 CB 1.609 B: 16 18.315 2.161 0.251 0.880 0.933 0.867 CB 1.357 C: 12 21.928 2.012 0.701 0.861 1.000 0.636 CB 1.419 D: 25 18.568 2.059 0.383 0.418 0.875 0.500 CB 1.656 E: 19 22.174 2.087 0.414 0.851 0.944 0.667 CB 1.388 16 residues pruned to eliminate duplicates F: 20 28.771 2.138 0.554 0.844 0.947 0.737 CB 1.561 G: 18 19.078 2.113 0.177 0.880 1.000 0.647 CB 1.348 18 residues pruned to eliminate duplicates H: 11 21.439 2.130 0.849 0.893 1.000 0.900 CB 1.236 11 residues pruned to eliminate duplicates I: 11 25.678 2.092 0.683 0.884 1.000 0.900 CB 1.665 11 residues pruned to eliminate duplicates J: 15 30.036 2.245 0.740 0.897 1.000 0.786 CA 1.471 20 residues pruned to eliminate duplicates K: 71 47.024 2.246 0.592 0.533 0.943 0.443 CA 1.614 15 residues pruned to eliminate duplicates L: 11 19.436 2.058 0.587 0.855 0.900 0.400 CA 1.542 11 residues pruned to eliminate duplicates M: 21 42.794 2.245 0.845 0.912 1.000 0.850 CA 1.635 21 residues pruned to eliminate duplicates N: 9 5.630 1.893 0.028 0.472 0.750 0.625 CB 1.403 O: 6 8.193 1.776 0.484 0.773 0.800 0.400 CA 1.364 P: 12 27.373 2.118 0.676 0.932 1.000 0.727 CB 1.623 12 residues pruned to eliminate duplicates Q: 11 19.715 2.185 0.390 0.883 1.000 1.000 CB 1.484 11 residues pruned to eliminate duplicates R: 21 35.653 2.181 0.718 0.899 1.000 0.600 CA 1.521 21 residues pruned to eliminate duplicates S: 12 18.776 2.093 0.385 0.842 0.909 0.636 CB 1.601 T: 16 19.043 2.128 0.266 0.897 1.000 0.867 CB 1.307 16 residues pruned to eliminate duplicates U: 9 18.976 2.183 0.425 0.844 0.875 0.375 CB 1.835 9 residues pruned to eliminate duplicates V: 14 20.148 2.239 0.250 0.894 1.000 0.846 CB 1.432 14 residues pruned to eliminate duplicates W: 22 28.934 2.080 0.438 0.879 1.000 0.952 CA 1.530 12 residues pruned to eliminate duplicates X: 65 35.562 2.064 0.543 0.556 0.906 0.469 CA 1.458 12 residues pruned to eliminate duplicates Y: 12 12.041 2.183 0.317 0.390 0.818 0.636 CA 1.735 Z: 16 18.223 2.003 0.725 0.880 1.000 0.733 CA 0.987 16 residues pruned to eliminate duplicates Z: 21 43.465 2.289 0.801 0.933 1.000 0.800 CA 1.645 21 residues pruned to eliminate duplicates Z: 9 13.858 2.138 0.198 0.890 1.000 0.875 CB 1.376 9 residues pruned to eliminate duplicates Z: 7 4.508 1.731 0.733 0.398 0.667 0.667 N 1.025 Z: 13 10.431 2.044 0.184 0.693 0.833 0.500 CB 1.251 13 residues pruned to eliminate duplicates Z: 15 23.765 2.069 0.840 0.874 0.857 0.643 CB 1.417 15 residues pruned to eliminate duplicates Z: 6 5.827 1.367 0.499 0.704 1.000 0.400 O 1.057 Z: 24 30.841 1.976 0.612 0.891 0.957 0.913 CB 1.518 22 residues pruned to eliminate duplicates Z: 11 13.491 1.839 0.408 0.816 0.900 0.500 CA 1.391 13 residues pruned to eliminate duplicates Z: 25 13.759 1.937 0.382 0.369 0.875 0.667 CB 1.379 6 residues pruned to eliminate duplicates Z: 11 24.286 2.103 0.657 0.915 0.900 0.700 CB 1.730 11 residues pruned to eliminate duplicates Z: 22 8.120 1.823 0.067 0.538 0.905 0.619 CB 0.970 Z: 8 9.636 1.943 0.159 0.574 1.000 0.857 CB 1.506 Z: 12 8.386 1.728 0.460 0.455 0.818 0.455 CB 1.282 Z: 8 11.003 2.116 0.508 0.574 0.857 0.857 CA 1.416 Z: 11 13.617 2.062 0.450 0.538 0.900 0.800 CA 1.541 8 residues pruned to eliminate duplicates Z: 23 37.129 2.113 0.604 0.888 1.000 0.864 CB 1.682 24 residues pruned to eliminate duplicates Z: 11 18.249 2.005 0.598 0.884 0.800 0.800 CA 1.626 11 residues pruned to eliminate duplicates Z: 14 13.087 1.868 0.272 0.823 0.846 0.769 CB 1.364 14 residues pruned to eliminate duplicates Z: 23 37.718 2.060 0.683 0.868 0.955 0.727 CA 1.775 23 residues pruned to eliminate duplicates Z: 23 29.627 2.038 0.255 0.920 1.000 0.818 CA 1.740 23 residues pruned to eliminate duplicates Z: 11 18.037 2.118 0.528 0.842 1.000 0.600 CB 1.314 11 residues pruned to eliminate duplicates Z: 20 25.481 2.037 0.656 0.888 1.000 0.895 CA 1.248 20 residues pruned to eliminate duplicates Z: 84 47.933 2.184 0.604 0.505 0.928 0.506 CA 1.610 72 residues pruned to eliminate duplicates Z: 19 19.682 2.092 0.419 0.879 1.000 0.833 CA 1.133 22 residues pruned to eliminate duplicates Z: 11 18.809 1.949 0.542 0.836 0.900 0.500 CA 1.646 11 residues pruned to eliminate duplicates Z: 22 9.436 1.788 0.211 0.364 0.762 0.381 CB 1.444 Z: 13 12.843 1.907 0.491 0.500 0.917 0.417 CB 1.423 13 residues pruned to eliminate duplicates Z: 13 16.173 1.883 0.348 0.871 1.000 0.667 CA 1.341 13 residues pruned to eliminate duplicates Z: 21 35.164 2.281 0.631 0.866 0.900 0.400 CB 1.720 21 residues pruned to eliminate duplicates Z: 21 42.883 2.287 0.730 0.924 1.000 0.750 CB 1.702 21 residues pruned to eliminate duplicates Z: 14 10.080 1.960 0.283 0.387 0.923 0.692 CB 1.358 14 residues pruned to eliminate duplicates Z: 22 35.090 2.118 0.742 0.880 1.000 0.857 CA 1.504 22 residues pruned to eliminate duplicates Z: 12 26.435 2.043 0.780 0.908 1.000 0.727 CA 1.558 12 residues pruned to eliminate duplicates Z: 21 43.717 2.253 1.026 0.926 0.900 0.450 CA 1.668 21 residues pruned to eliminate duplicates Z: 6 9.625 1.970 0.270 0.699 1.000 0.800 CB 1.435 6 residues pruned to eliminate duplicates Z: 7 4.656 1.732 0.089 0.553 0.833 0.667 CB 1.149 Z: 57 28.303 2.117 0.402 0.448 0.839 0.536 CB 1.601 59 residues pruned to eliminate duplicates Z: 6 4.564 1.920 0.665 0.377 0.600 0.600 CA 1.213 6 residues pruned to eliminate duplicates Z: 53 38.018 2.116 0.612 0.591 0.942 0.481 CA 1.503 53 residues pruned to eliminate duplicates Z: 13 20.523 2.033 0.849 0.873 1.000 0.583 CA 1.147 13 residues pruned to eliminate duplicates Z: 14 11.601 2.005 0.363 0.412 0.923 0.538 CB 1.398 13 residues pruned to eliminate duplicates Z: 13 8.021 1.858 0.186 0.371 0.833 0.583 CB 1.447 12 residues pruned to eliminate duplicates Z: 16 13.404 1.914 0.632 0.415 0.867 0.667 CB 1.398 16 residues pruned to eliminate duplicates Z: 11 14.523 1.803 0.810 0.694 0.900 0.600 CA 1.310 11 residues pruned to eliminate duplicates Z: 12 4.947 1.865 0.308 0.257 0.636 0.455 CB 1.269 12 residues pruned to eliminate duplicates Z: 14 10.922 1.990 0.487 0.459 0.846 0.615 CB 1.261 Z: 27 10.112 1.808 0.286 0.287 0.731 0.346 N 1.482 27 residues pruned to eliminate duplicates Z: 36 23.466 2.144 0.470 0.449 0.857 0.514 CB 1.547 36 residues pruned to eliminate duplicates Z: 9 7.587 1.641 0.669 0.501 0.875 0.750 CB 1.119 10 residues pruned to eliminate duplicates Z: 21 43.204 2.230 0.906 0.896 1.000 0.500 CA 1.628 21 residues pruned to eliminate duplicates Z: 21 50.987 2.292 1.077 0.921 1.000 0.450 CB 1.686 31 residues pruned to eliminate duplicates Z: 16 24.160 2.140 0.568 0.869 0.867 0.733 CA 1.567 16 residues pruned to eliminate duplicates Z: 21 36.376 2.124 0.492 0.932 1.000 0.800 CB 1.792 22 residues pruned to eliminate duplicates Z: 17 8.728 1.714 0.231 0.448 1.000 0.688 CB 1.091 Z: 38 25.098 2.112 0.390 0.500 0.919 0.703 CA 1.529 25 residues pruned to eliminate duplicates Z: 8 6.759 1.738 0.186 0.541 1.000 0.143 CB 1.191 Z: 13 8.379 2.166 0.169 0.428 0.667 0.500 CB 1.544 13 residues pruned to eliminate duplicates Z: 9 16.329 1.930 0.609 0.893 1.000 0.750 CA 1.334 9 residues pruned to eliminate duplicates Z: 16 13.984 2.071 0.519 0.502 0.800 0.467 CB 1.432 Z: 21 20.398 1.987 0.392 0.928 0.950 0.850 CA 1.216 21 residues pruned to eliminate duplicates Z: 34 18.082 1.972 0.460 0.412 0.818 0.515 CB 1.466 34 residues pruned to eliminate duplicates Z: 22 36.009 2.108 0.717 0.888 0.905 0.524 CB 1.728 22 residues pruned to eliminate duplicates Z: 18 31.557 2.010 0.927 0.873 0.941 0.471 CB 1.530 17 residues pruned to eliminate duplicates Z: 12 17.866 1.904 0.545 0.858 0.909 0.545 CA 1.483 11 residues pruned to eliminate duplicates Z: 97 50.002 2.179 0.507 0.519 0.927 0.542 CB 1.644 97 residues pruned to eliminate duplicates Z: 8 11.307 1.926 0.565 0.672 1.000 1.000 CA 1.210 10 residues pruned to eliminate duplicates Z: 8 4.123 1.762 0.058 0.459 0.857 0.429 CB 1.017 8 residues pruned to eliminate duplicates Z: 10 8.425 1.791 0.854 0.537 0.778 0.333 CA 1.049 Z: 8 4.859 1.686 0.457 0.438 0.571 0.429 O 1.395 8 residues pruned to eliminate duplicates Z: 24 14.764 2.023 0.583 0.414 0.913 0.478 CB 1.152 25 residues pruned to eliminate duplicates Z: 7 2.506 1.552 0.015 0.392 0.667 0.500 CB 1.093 Z: 12 10.742 2.049 0.124 0.816 1.000 0.818 CB 1.069 12 residues pruned to eliminate duplicates Z: 11 9.390 1.888 0.241 0.478 1.000 0.700 CB 1.295 11 residues pruned to eliminate duplicates Z: 10 5.717 1.852 0.246 0.398 0.667 0.556 CA 1.380 Z: 8 4.641 1.700 0.007 0.395 0.857 0.286 CB 1.335 Z: 17 14.485 2.001 0.339 0.465 0.875 0.562 CA 1.601 17 residues pruned to eliminate duplicates Z: 43 29.514 2.122 0.631 0.434 0.905 0.429 CB 1.557 43 residues pruned to eliminate duplicates Z: 7 2.948 1.660 -0.007 0.664 0.833 0.667 CB 0.753 Z: 22 25.624 1.875 0.758 0.897 0.952 0.571 CA 1.276 22 residues pruned to eliminate duplicates Z: 16 11.008 2.008 0.192 0.477 1.000 0.667 CB 1.215 22 residues pruned to eliminate duplicates Z: 24 9.326 1.888 0.297 0.376 0.826 0.478 CB 1.097 24 residues pruned to eliminate duplicates Z: 10 8.691 1.811 0.559 0.367 0.889 0.556 CB 1.332 Z: 10 9.295 1.625 0.291 0.579 1.000 0.667 CB 1.370 10 residues pruned to eliminate duplicates Z: 14 14.961 2.129 0.562 0.494 0.923 0.615 CA 1.360 14 residues pruned to eliminate duplicates Z: 11 15.265 2.130 0.455 0.844 1.000 0.800 CB 1.159 11 residues pruned to eliminate duplicates Z: 22 14.053 1.963 0.546 0.415 0.857 0.476 CA 1.288 18 residues pruned to eliminate duplicates Z: 14 8.869 1.985 0.281 0.620 0.846 0.615 CB 1.020 14 residues pruned to eliminate duplicates Z: 23 32.070 2.046 0.405 0.894 1.000 0.773 CA 1.707 22 residues pruned to eliminate duplicates Z: 10 16.201 2.071 0.328 0.822 0.889 0.889 CA 1.671 10 residues pruned to eliminate duplicates Z: 11 16.810 1.767 0.769 0.820 1.000 0.600 CB 1.289 11 residues pruned to eliminate duplicates Z: 9 4.011 1.702 0.179 0.426 0.750 0.375 CB 1.017 Z: 15 7.266 1.876 0.355 0.381 0.929 0.714 CA 0.934 4 residues pruned to eliminate duplicates Z: 47 23.030 2.144 0.285 0.400 0.848 0.500 CB 1.616 47 residues pruned to eliminate duplicates Z: 14 8.641 1.761 0.269 0.496 0.923 0.692 CB 1.167 14 residues pruned to eliminate duplicates Z: 19 23.348 2.011 0.833 0.879 0.889 0.500 CA 1.218 19 residues pruned to eliminate duplicates Z: 7 2.845 1.765 0.124 0.455 0.667 0.667 CA 0.920 7 residues pruned to eliminate duplicates Z: 16 14.713 1.988 0.574 0.818 0.933 0.400 CA 0.987 16 residues pruned to eliminate duplicates Z: 11 5.057 2.108 -0.200 0.455 0.700 0.400 CB 1.418 11 residues pruned to eliminate duplicates Z: 22 35.239 2.095 0.666 0.901 0.952 0.667 CB 1.651 22 residues pruned to eliminate duplicates Z: 21 12.999 1.939 0.379 0.370 0.900 0.300 CA 1.388 17 residues pruned to eliminate duplicates Z: 15 8.893 1.917 0.315 0.435 0.714 0.429 CA 1.411 11 residues pruned to eliminate duplicates Z: 10 4.823 1.708 0.064 0.449 0.778 0.556 CB 1.199 10 residues pruned to eliminate duplicates Z: 18 24.402 2.033 0.616 0.874 0.941 0.529 CA 1.392 17 residues pruned to eliminate duplicates Z: 15 15.976 2.011 0.462 0.471 0.857 0.714 CA 1.745 15 residues pruned to eliminate duplicates Z: 13 27.901 2.169 0.799 0.898 1.000 0.833 CA 1.477 13 residues pruned to eliminate duplicates Z: 8 3.839 1.670 0.205 0.607 0.857 0.571 CB 0.759 8 residues pruned to eliminate duplicates Z: 7 15.671 2.185 0.647 0.854 0.833 0.667 CA 1.576 7 residues pruned to eliminate duplicates Z: 7 4.324 1.576 -0.059 0.608 1.000 0.500 C 1.075 Z: 14 11.053 2.158 0.121 0.420 0.846 0.462 CA 1.629 14 residues pruned to eliminate duplicates Z: 22 18.324 1.923 0.481 0.396 1.000 0.429 N 1.567 22 residues pruned to eliminate duplicates Z: 17 9.690 2.099 0.272 0.275 0.750 0.375 CB 1.562 17 residues pruned to eliminate duplicates Z: 9 16.046 2.001 0.530 0.900 1.000 1.000 CA 1.324 9 residues pruned to eliminate duplicates Z: 14 9.742 1.894 0.603 0.386 0.769 0.615 CB 1.305 Z: 8 11.406 1.889 0.889 0.558 0.857 0.714 CA 1.332 7 residues pruned to eliminate duplicates Z: 6 8.438 1.486 1.055 0.550 1.000 0.400 CB 1.176 Z: 6 6.567 1.864 0.206 0.659 1.000 0.800 N 1.128 Z: 35 20.352 2.032 0.536 0.364 0.912 0.559 CA 1.420 35 residues pruned to eliminate duplicates Z: 11 17.282 2.135 0.704 0.907 0.800 0.700 CA 1.334 11 residues pruned to eliminate duplicates Z: 22 34.828 2.073 0.529 0.886 1.000 0.762 CA 1.731 22 residues pruned to eliminate duplicates Z: 23 27.518 1.970 0.311 0.891 1.000 0.773 CB 1.633 23 residues pruned to eliminate duplicates Z: 63 39.067 2.188 0.515 0.557 0.887 0.565 CA 1.596 63 residues pruned to eliminate duplicates Z: 11 19.481 2.157 0.370 0.875 1.000 0.900 CB 1.516 11 residues pruned to eliminate duplicates Z: 22 15.769 2.102 0.245 0.477 0.810 0.571 CA 1.663 22 residues pruned to eliminate duplicates Z: 13 12.786 2.012 0.270 0.811 0.917 0.500 CB 1.202 13 residues pruned to eliminate duplicates Z: 44 24.545 2.131 0.423 0.378 0.860 0.465 CA 1.634 44 residues pruned to eliminate duplicates Z: 9 2.258 1.533 -0.180 0.181 0.875 0.375 CB 1.066 Z: 11 8.358 1.850 0.133 0.597 0.800 0.800 CB 1.436 11 residues pruned to eliminate duplicates Z: 23 15.366 2.005 0.576 0.483 0.864 0.545 CB 1.221 24 residues pruned to eliminate duplicates Z: 13 7.929 1.777 0.313 0.364 0.917 0.583 CB 1.238 13 residues pruned to eliminate duplicates Z: 22 45.073 2.153 1.023 0.921 1.000 0.476 CA 1.589 22 residues pruned to eliminate duplicates Z: 30 15.456 1.809 0.517 0.358 0.862 0.517 N 1.415 22 residues pruned to eliminate duplicates Z: 12 8.726 2.151 0.339 0.322 0.818 0.545 CB 1.358 12 residues pruned to eliminate duplicates Z: 23 32.407 1.990 0.576 0.887 1.000 0.773 CA 1.589 23 residues pruned to eliminate duplicates Z: 11 13.036 1.918 0.679 0.558 0.900 0.800 CB 1.345 11 residues pruned to eliminate duplicates Z: 25 17.014 2.065 0.453 0.411 0.833 0.458 CA 1.525 26 residues pruned to eliminate duplicates Z: 7 5.754 1.648 0.302 0.654 0.833 0.833 N 1.138 Z: 9 7.296 1.789 0.057 0.624 0.875 0.500 N 1.387 9 residues pruned to eliminate duplicates Z: 22 36.072 2.135 0.484 0.888 1.000 0.667 CA 1.791 22 residues pruned to eliminate duplicates Z: 25 11.532 1.966 0.334 0.292 0.792 0.458 CB 1.431 25 residues pruned to eliminate duplicates Z: 17 27.272 2.054 0.990 0.912 0.938 0.625 CA 1.260 17 residues pruned to eliminate duplicates Z: 18 10.395 1.717 0.603 0.308 0.765 0.412 CA 1.482 18 residues pruned to eliminate duplicates Z: 9 8.002 1.891 0.040 0.456 0.875 0.250 N 1.720 7 residues pruned to eliminate duplicates Z: 8 16.821 2.194 0.491 0.765 1.000 1.000 CB 1.536 8 residues pruned to eliminate duplicates Z: 34 26.803 2.063 0.511 0.545 0.939 0.667 CA 1.524 34 residues pruned to eliminate duplicates Z: 17 28.541 2.109 0.879 0.895 0.938 0.500 CB 1.377 17 residues pruned to eliminate duplicates Z: 35 35.990 2.235 0.640 0.636 0.971 0.647 CA 1.527 36 residues pruned to eliminate duplicates Z: 8 10.480 2.180 0.551 0.444 0.857 0.714 CB 1.447 8 residues pruned to eliminate duplicates Z: 23 13.177 1.951 0.334 0.506 0.818 0.682 CB 1.311 23 residues pruned to eliminate duplicates Z: 36 25.792 2.136 0.442 0.497 0.914 0.600 CA 1.552 37 residues pruned to eliminate duplicates Z: 23 18.618 2.052 0.515 0.423 0.955 0.545 CA 1.449 23 residues pruned to eliminate duplicates Z: 19 9.194 1.963 0.154 0.523 0.722 0.556 CB 1.295 19 residues pruned to eliminate duplicates Z: 6 2.337 1.762 -0.056 0.289 0.800 0.600 N 0.994 Z: 24 13.159 1.998 0.357 0.485 0.913 0.609 CB 1.126 24 residues pruned to eliminate duplicates Z: 21 36.529 2.234 0.792 0.910 0.850 0.550 CB 1.702 21 residues pruned to eliminate duplicates Z: 9 10.348 2.081 0.235 0.730 0.875 0.625 CA 1.322 9 residues pruned to eliminate duplicates Z: 21 15.594 1.970 0.344 0.390 0.900 0.450 CA 1.643 Z: 6 3.507 1.838 -0.372 0.684 1.000 0.400 CB 1.147 6 residues pruned to eliminate duplicates Z: 17 7.521 1.936 0.379 0.228 0.688 0.500 CB 1.408 6 residues pruned to eliminate duplicates Z: 41 37.075 2.030 0.692 0.656 0.900 0.600 CB 1.641 38 residues pruned to eliminate duplicates Z: 13 5.337 1.811 0.124 0.352 0.667 0.417 CB 1.332 13 residues pruned to eliminate duplicates Z: 43 30.963 2.209 0.511 0.447 0.929 0.524 CB 1.627 43 residues pruned to eliminate duplicates Z: 13 6.243 1.977 0.139 0.264 0.833 0.583 CB 1.258 13 residues pruned to eliminate duplicates Z: 29 15.721 2.046 0.223 0.524 0.821 0.571 CA 1.412 29 residues pruned to eliminate duplicates Z: 18 9.108 1.893 0.413 0.428 0.765 0.588 CB 1.163 13 residues pruned to eliminate duplicates Z: 14 14.614 1.905 0.420 0.879 0.846 0.692 CA 1.284 14 residues pruned to eliminate duplicates Z: 17 7.694 1.683 0.414 0.328 0.750 0.625 CB 1.301 17 residues pruned to eliminate duplicates Z: 19 18.831 2.082 0.419 0.541 0.889 0.722 CB 1.623 19 residues pruned to eliminate duplicates Z: 10 8.277 1.969 0.297 0.457 0.889 0.667 CB 1.270 10 residues pruned to eliminate duplicates Z: 13 16.256 2.070 0.638 0.660 1.000 0.583 CB 1.193 11 residues pruned to eliminate duplicates Z: 16 8.157 1.796 0.342 0.330 0.800 0.600 N 1.316 16 residues pruned to eliminate duplicates Z: 11 7.120 1.883 0.224 0.538 0.800 0.600 CB 1.176 11 residues pruned to eliminate duplicates Z: 7 7.963 2.115 0.444 0.571 0.833 0.667 CA 1.192 10 residues pruned to eliminate duplicates Z: 8 8.552 1.729 0.262 0.576 1.000 0.857 CB 1.376 9 residues pruned to eliminate duplicates Z: 7 4.155 2.000 0.553 0.440 0.833 0.500 CB 0.698 7 residues pruned to eliminate duplicates Z: 7 5.518 1.351 0.565 0.647 0.833 0.667 C 1.114 7 residues pruned to eliminate duplicates Z: 46 32.724 2.103 0.621 0.650 0.933 0.711 CA 1.333 45 residues pruned to eliminate duplicates Z: 11 8.297 1.854 0.294 0.426 0.800 0.700 CB 1.476 Z: 14 3.613 1.583 0.504 0.378 0.692 0.462 CB 0.692 Z: 23 10.872 1.817 0.331 0.333 0.909 0.409 CA 1.266 14 residues pruned to eliminate duplicates Z: 7 3.704 1.418 0.295 0.405 1.000 0.333 N 0.910 Z: 12 13.308 2.006 0.300 0.490 0.909 0.636 CB 1.710 12 residues pruned to eliminate duplicates Z: 10 9.369 2.013 0.555 0.428 0.889 0.556 CB 1.210 10 residues pruned to eliminate duplicates Z: 14 6.510 1.968 0.351 0.227 0.769 0.385 CA 1.215 14 residues pruned to eliminate duplicates Z: 6 5.998 1.379 0.812 0.785 1.000 0.600 CB 0.835 5 residues pruned to eliminate duplicates Z: 13 11.581 2.065 0.625 0.478 0.750 0.583 CA 1.358 13 residues pruned to eliminate duplicates Z: 6 7.157 1.682 -0.056 0.792 1.000 0.800 CA 1.561 7 residues pruned to eliminate duplicates Z: 61 37.879 2.149 0.593 0.522 0.900 0.500 CB 1.553 61 residues pruned to eliminate duplicates Z: 15 10.084 1.878 0.433 0.430 0.929 0.571 CB 1.160 15 residues pruned to eliminate duplicates Z: 8 7.749 1.934 0.224 0.491 0.857 0.429 CB 1.456 8 residues pruned to eliminate duplicates Z: 21 17.483 2.059 0.414 0.434 0.950 0.400 CA 1.514 21 residues pruned to eliminate duplicates Z: 6 5.745 1.790 0.620 0.565 0.800 0.600 N 1.040 6 residues pruned to eliminate duplicates Z: 22 16.246 1.991 0.507 0.490 0.952 0.524 CB 1.254 22 residues pruned to eliminate duplicates Z: 21 10.920 1.900 0.211 0.343 0.850 0.350 CB 1.482 21 residues pruned to eliminate duplicates Z: 19 14.651 1.990 0.065 0.854 0.944 0.667 CB 1.275 19 residues pruned to eliminate duplicates Z: 36 25.388 2.151 0.391 0.482 0.886 0.600 CB 1.649 36 residues pruned to eliminate duplicates Z: 18 29.577 2.114 0.797 0.895 0.941 0.353 CB 1.438 18 residues pruned to eliminate duplicates Z: 6 6.154 1.735 1.007 0.608 0.800 0.600 CA 0.892 6 residues pruned to eliminate duplicates Z: 15 14.177 1.968 0.647 0.372 0.857 0.571 CB 1.565 15 residues pruned to eliminate duplicates Z: 14 13.295 1.991 0.657 0.526 0.846 0.462 CB 1.288 14 residues pruned to eliminate duplicates Z: 18 27.429 2.010 0.878 0.882 0.824 0.353 CA 1.549 18 residues pruned to eliminate duplicates Z: 14 13.371 1.956 0.578 0.404 0.923 0.538 N 1.440 14 residues pruned to eliminate duplicates Z: 22 12.989 1.887 0.212 0.391 0.905 0.429 CB 1.537 22 residues pruned to eliminate duplicates Z: 15 10.208 2.001 0.237 0.485 0.857 0.643 CB 1.306 15 residues pruned to eliminate duplicates Z: 22 34.429 2.086 0.543 0.880 0.952 0.619 CA 1.776 22 residues pruned to eliminate duplicates Z: 55 36.104 2.099 0.589 0.577 0.944 0.593 CA 1.447 55 residues pruned to eliminate duplicates Z: 13 5.456 1.651 0.422 0.434 0.750 0.583 CB 0.958 13 residues pruned to eliminate duplicates Z: 87 41.510 2.069 0.487 0.540 0.895 0.535 CA 1.563 82 residues pruned to eliminate duplicates Z: 18 26.075 2.145 0.701 0.885 0.941 0.647 CB 1.330 18 residues pruned to eliminate duplicates Z: 63 41.676 2.171 0.565 0.569 0.919 0.645 CA 1.585 63 residues pruned to eliminate duplicates Z: 12 7.670 1.614 0.643 0.298 0.818 0.273 CA 1.336 4 residues pruned to eliminate duplicates Z: 21 45.709 2.229 0.926 0.933 1.000 0.850 CA 1.661 21 residues pruned to eliminate duplicates Z: 24 14.428 2.015 0.541 0.347 0.826 0.652 CA 1.384 24 residues pruned to eliminate duplicates Z: 25 19.114 2.079 0.473 0.397 0.917 0.625 CA 1.550 25 residues pruned to eliminate duplicates Z: 60 35.776 2.094 0.566 0.577 0.932 0.525 CA 1.416 60 residues pruned to eliminate duplicates Z: 8 6.480 1.827 0.168 0.511 0.857 0.714 CB 1.325 7 residues pruned to eliminate duplicates Z: 24 13.491 1.962 0.419 0.494 0.913 0.522 CB 1.113 23 residues pruned to eliminate duplicates Z: 7 12.296 1.862 0.856 0.693 1.000 1.000 CB 1.218 7 residues pruned to eliminate duplicates Z: 6 3.277 1.380 0.229 0.507 0.800 0.400 CB 1.073 Z: 18 11.285 1.854 0.498 0.376 0.824 0.471 CB 1.365 18 residues pruned to eliminate duplicates Z: 23 9.692 1.935 0.358 0.372 0.727 0.545 CB 1.240 15 residues pruned to eliminate duplicates Z: 44 20.820 2.039 0.305 0.438 0.837 0.605 CB 1.519 44 residues pruned to eliminate duplicates Z: 39 24.587 2.054 0.469 0.557 0.921 0.632 CA 1.358 39 residues pruned to eliminate duplicates Z: 12 13.274 2.072 0.510 0.787 0.909 0.727 CB 1.093 12 residues pruned to eliminate duplicates Z: 8 11.209 2.100 0.180 0.868 1.000 0.714 CA 1.250 8 residues pruned to eliminate duplicates Z: 12 7.894 1.807 0.167 0.425 0.818 0.273 CA 1.491 11 residues pruned to eliminate duplicates Z: 12 3.934 1.651 0.182 0.336 0.727 0.455 CB 1.000 12 residues pruned to eliminate duplicates Z: 88 47.478 2.172 0.542 0.523 0.897 0.563 CB 1.657 88 residues pruned to eliminate duplicates Z: 17 8.303 1.806 0.193 0.361 0.938 0.500 CA 1.194 17 residues pruned to eliminate duplicates Z: 15 12.548 1.996 0.425 0.380 0.857 0.571 CA 1.564 15 residues pruned to eliminate duplicates Z: 12 12.375 1.916 0.764 0.377 0.909 0.636 CA 1.385 13 residues pruned to eliminate duplicates Z: 8 5.993 1.615 0.615 0.291 0.857 0.286 CB 1.281 8 residues pruned to eliminate duplicates Z: 20 16.182 2.077 0.386 0.419 0.895 0.579 CA 1.568 20 residues pruned to eliminate duplicates Z: 7 8.190 1.737 0.491 0.806 1.000 1.000 CA 0.989 5 residues pruned to eliminate duplicates Z: 13 8.965 1.866 0.523 0.451 0.750 0.583 CA 1.276 13 residues pruned to eliminate duplicates Z: 7 9.050 1.770 0.696 0.728 0.833 0.500 CA 1.202 6 residues pruned to eliminate duplicates Z: 8 6.022 1.684 0.660 0.680 1.000 0.714 CB 0.690 8 residues pruned to eliminate duplicates Z: 10 3.761 1.838 0.115 0.419 0.556 0.556 CB 1.198 Z: 27 28.048 2.090 0.351 0.732 1.000 0.654 CB 1.581 28 residues pruned to eliminate duplicates Z: 14 14.652 1.997 0.639 0.573 1.000 0.692 CB 1.158 14 residues pruned to eliminate duplicates Z: 10 10.241 1.929 0.703 0.650 1.000 0.778 CB 0.904 10 residues pruned to eliminate duplicates Z: 7 4.011 1.838 0.312 0.232 0.667 0.500 CA 1.392 7 residues pruned to eliminate duplicates Z: 6 8.456 1.725 0.111 0.838 1.000 0.800 CA 1.474 7 residues pruned to eliminate duplicates Z: 6 5.029 1.771 0.548 0.474 0.800 0.800 CA 1.053 6 residues pruned to eliminate duplicates Z: 12 20.171 2.196 0.530 0.846 1.000 0.727 CB 1.345 12 residues pruned to eliminate duplicates Z: 17 25.843 2.193 0.826 0.882 0.938 0.750 CB 1.245 17 residues pruned to eliminate duplicates Z: 18 27.130 2.015 1.011 0.911 1.000 0.588 CA 1.151 18 residues pruned to eliminate duplicates Z: 8 6.513 1.797 0.088 0.389 1.000 0.429 N 1.417 8 residues pruned to eliminate duplicates Z: 9 8.813 2.023 0.255 0.599 1.000 0.625 CA 1.117 9 residues pruned to eliminate duplicates Z: 14 12.018 1.869 0.367 0.452 0.923 0.692 N 1.484 14 residues pruned to eliminate duplicates Z: 15 12.188 1.896 0.514 0.396 0.929 0.357 CA 1.364 15 residues pruned to eliminate duplicates Z: 8 5.195 1.939 0.108 0.537 0.571 0.286 CB 1.543 8 residues pruned to eliminate duplicates Z: 16 19.026 2.049 0.433 0.904 1.000 0.800 CB 1.192 16 residues pruned to eliminate duplicates Z: 10 10.306 1.952 0.649 0.785 0.667 0.222 CB 1.246 10 residues pruned to eliminate duplicates Z: 20 40.962 2.211 0.830 0.914 1.000 0.632 CB 1.642 20 residues pruned to eliminate duplicates Z: 21 14.193 1.953 0.439 0.479 0.900 0.600 CB 1.282 21 residues pruned to eliminate duplicates Z: 13 8.195 2.096 0.109 0.501 0.917 0.667 CB 1.110 13 residues pruned to eliminate duplicates Z: 34 29.805 2.008 0.369 0.722 0.939 0.758 CA 1.644 34 residues pruned to eliminate duplicates Z: 20 26.257 2.037 0.793 0.869 0.947 0.632 CA 1.272 20 residues pruned to eliminate duplicates Z: 14 6.462 1.912 0.163 0.297 0.769 0.462 CA 1.314 14 residues pruned to eliminate duplicates Z: 11 6.753 1.949 0.083 0.426 0.800 0.300 CB 1.366 7 residues pruned to eliminate duplicates Z: 11 3.786 1.467 0.416 0.234 0.700 0.600 N 1.122 6 1.821 1.732 0.231 0.333 0.800 0.400 CB 0.573 ? 7 1.184 1.523 -0.374 0.433 0.667 0.500 CB 0.816 ? Z: 16 9.238 1.867 0.346 0.347 0.933 0.400 CB 1.200 17 residues pruned to eliminate duplicates Z: 10 18.470 2.093 0.605 0.875 0.889 0.667 CA 1.499 10 residues pruned to eliminate duplicates Z: 6 3.763 1.527 0.857 0.651 0.600 0.200 N 0.859 Z: 12 7.595 1.717 0.386 0.353 0.909 0.727 CA 1.240 11 residues pruned to eliminate duplicates Z: 13 12.034 1.969 0.626 0.467 0.750 0.500 CA 1.496 13 residues pruned to eliminate duplicates Z: 14 11.351 2.092 0.357 0.432 0.923 0.538 CB 1.289 14 residues pruned to eliminate duplicates Z: 8 2.442 1.268 1.310 0.250 0.714 0.571 CB 0.588 Z: 6 2.571 1.450 0.053 0.393 0.800 0.600 N 1.054 Z: 8 3.659 1.796 -0.164 0.383 1.000 0.714 CB 1.044 7 residues pruned to eliminate duplicates Z: 44 26.234 2.045 0.404 0.613 0.814 0.419 CB 1.538 44 residues pruned to eliminate duplicates Z: 20 22.408 1.985 0.733 0.857 1.000 0.632 CA 1.101 20 residues pruned to eliminate duplicates Z: 7 2.726 1.348 0.104 0.391 0.833 0.500 CB 1.007 Z: 6 4.020 1.829 0.669 0.540 0.600 0.400 CB 0.944 Z: 6 4.006 1.696 0.301 0.630 0.800 0.600 CB 0.898 Z: 11 15.058 2.006 0.676 0.490 1.000 0.600 CB 1.430 11 residues pruned to eliminate duplicates Z: 9 3.515 1.686 0.126 0.434 0.875 0.375 N 0.801 Z: 15 7.907 1.854 0.256 0.385 0.786 0.571 CB 1.305 15 residues pruned to eliminate duplicates Z: 10 3.945 1.558 0.359 0.343 0.667 0.333 CB 1.105 Z: 6 4.064 1.400 0.465 0.334 1.000 0.400 CB 1.063 Z: 7 9.061 1.969 0.050 0.630 1.000 0.833 CA 1.583 7 residues pruned to eliminate duplicates Z: 50 40.686 2.239 0.565 0.622 0.918 0.490 CB 1.610 50 residues pruned to eliminate duplicates Z: 21 33.461 2.219 0.906 0.927 0.800 0.300 CB 1.550 21 residues pruned to eliminate duplicates Z: 6 3.309 1.405 0.626 0.297 0.800 0.600 C 1.015 Z: 10 21.442 2.076 0.680 0.888 0.889 0.667 CB 1.661 12 residues pruned to eliminate duplicates Z: 13 4.008 1.614 0.141 0.184 0.750 0.333 N 1.223 13 residues pruned to eliminate duplicates Z: 10 12.512 1.827 0.288 0.852 1.000 0.667 CA 1.310 10 residues pruned to eliminate duplicates Z: 25 11.123 1.768 0.269 0.425 0.833 0.250 CB 1.313 31 residues pruned to eliminate duplicates Z: 11 22.576 2.078 0.733 0.901 0.900 0.700 CA 1.572 10 residues pruned to eliminate duplicates Z: 6 9.355 1.961 0.624 0.611 0.800 0.600 CA 1.478 7 residues pruned to eliminate duplicates Z: 9 4.369 1.626 0.452 0.240 0.750 0.375 CA 1.179 Z: 6 2.147 1.428 -0.329 0.522 1.000 0.400 N 0.980 Z: 12 10.387 1.962 0.581 0.408 0.818 0.545 CB 1.359 12 residues pruned to eliminate duplicates Z: 27 22.201 2.069 0.376 0.636 0.923 0.731 CB 1.459 27 residues pruned to eliminate duplicates Z: 6 7.014 1.460 1.256 0.760 0.800 0.600 CB 0.945 6 residues pruned to eliminate duplicates Z: 18 19.993 1.960 0.636 0.812 0.882 0.529 CB 1.307 18 residues pruned to eliminate duplicates Z: 11 8.517 1.893 0.570 0.318 0.800 0.600 CA 1.385 11 residues pruned to eliminate duplicates Z: 28 16.621 1.992 0.377 0.459 0.889 0.630 CA 1.368 28 residues pruned to eliminate duplicates Z: 21 11.903 1.913 0.118 0.398 0.900 0.600 CB 1.540 21 residues pruned to eliminate duplicates Z: 10 6.527 1.862 0.326 0.475 0.889 0.778 CB 1.017 10 residues pruned to eliminate duplicates Z: 22 9.879 1.753 0.109 0.362 0.905 0.571 CB 1.423 22 residues pruned to eliminate duplicates Z: 15 12.918 1.899 0.661 0.299 1.000 0.643 CA 1.371 15 residues pruned to eliminate duplicates Z: 15 5.378 1.684 0.126 0.372 0.857 0.571 CA 1.015 15 residues pruned to eliminate duplicates Z: 11 10.114 2.018 0.478 0.452 0.800 0.500 CA 1.408 11 residues pruned to eliminate duplicates Z: 18 9.028 1.760 0.383 0.573 0.824 0.588 CB 1.018 18 residues pruned to eliminate duplicates Z: 43 26.153 2.046 0.607 0.599 0.810 0.571 CB 1.380 41 residues pruned to eliminate duplicates Z: 7 2.746 1.322 0.606 0.336 0.667 0.500 C 0.947 Z: 12 14.211 2.012 0.211 0.896 0.909 0.818 CA 1.385 12 residues pruned to eliminate duplicates Z: 38 22.915 2.110 0.454 0.449 0.865 0.595 CA 1.496 38 residues pruned to eliminate duplicates Z: 67 37.018 2.094 0.503 0.613 0.924 0.712 CA 1.408 68 residues pruned to eliminate duplicates Z: 8 7.542 1.770 0.497 0.710 0.857 0.714 N 1.038 8 residues pruned to eliminate duplicates Z: 10 7.098 1.771 0.479 0.499 0.889 0.667 CB 1.017 10 residues pruned to eliminate duplicates Z: 12 8.440 1.788 0.254 0.473 0.909 0.727 CB 1.283 12 residues pruned to eliminate duplicates Z: 60 34.197 2.056 0.577 0.602 0.898 0.542 CA 1.388 60 residues pruned to eliminate duplicates Z: 6 2.431 1.375 0.214 0.367 1.000 0.600 CB 0.751 6 1.932 1.368 0.380 0.255 0.600 0.200 N 1.010 ? 7 1.828 1.732 -0.340 0.541 1.000 0.667 CB 0.627 ? Z: 11 7.713 1.978 0.269 0.443 0.800 0.600 CB 1.288 11 residues pruned to eliminate duplicates Z: 10 9.649 1.964 0.305 0.484 0.889 0.667 CB 1.434 10 residues pruned to eliminate duplicates Z: 17 10.302 2.021 0.252 0.386 0.812 0.438 CB 1.415 14 residues pruned to eliminate duplicates Z: 14 7.764 1.897 0.435 0.357 0.923 0.462 CA 1.000 14 residues pruned to eliminate duplicates Z: 12 9.362 2.075 0.313 0.342 0.818 0.455 CA 1.503 12 residues pruned to eliminate duplicates Z: 11 3.624 1.584 0.130 0.470 0.700 0.500 N 0.943 Z: 10 8.125 1.881 0.075 0.427 1.000 0.444 CA 1.445 10 residues pruned to eliminate duplicates Z: 14 15.143 1.727 0.535 0.806 1.000 0.462 CB 1.213 14 residues pruned to eliminate duplicates Z: 23 17.705 2.100 0.438 0.394 0.955 0.500 CA 1.464 24 residues pruned to eliminate duplicates Z: 7 2.683 1.690 0.346 0.372 0.667 0.667 CA 0.829 Z: 24 9.686 1.920 0.303 0.512 0.783 0.652 CB 1.020 24 residues pruned to eliminate duplicates Z: 23 35.545 2.057 0.672 0.904 0.955 0.773 CB 1.643 23 residues pruned to eliminate duplicates Z: 18 34.995 2.187 1.206 0.895 0.941 0.294 CB 1.339 18 residues pruned to eliminate duplicates Z: 38 24.328 2.099 0.437 0.473 0.892 0.703 CB 1.529 38 residues pruned to eliminate duplicates Z: 20 12.756 1.991 0.385 0.409 0.842 0.474 CA 1.387 20 residues pruned to eliminate duplicates Z: 13 8.504 2.097 0.076 0.455 1.000 0.583 CB 1.139 13 residues pruned to eliminate duplicates Z: 16 10.746 1.844 0.500 0.295 0.867 0.400 CB 1.456 16 residues pruned to eliminate duplicates 6 0.704 1.220 0.354 0.695 1.000 0.400 N 0.159 ? Z: 10 15.637 1.878 0.700 0.835 1.000 0.667 CA 1.223 10 residues pruned to eliminate duplicates Z: 15 6.894 1.932 0.149 0.362 0.786 0.500 CB 1.226 15 residues pruned to eliminate duplicates Z: 12 5.957 1.615 0.312 0.342 0.818 0.636 CA 1.230 12 residues pruned to eliminate duplicates Z: 9 2.053 1.419 0.285 0.319 1.000 0.375 CB 0.486 Z: 11 11.389 1.891 0.552 0.497 1.000 0.500 CA 1.232 11 residues pruned to eliminate duplicates Z: 12 22.386 2.026 0.598 0.892 1.000 1.000 CA 1.498 12 residues pruned to eliminate duplicates Z: 7 2.145 1.309 0.720 0.297 0.667 0.500 CB 0.733 Z: 13 7.993 1.667 0.325 0.430 1.000 0.667 CB 1.124 13 residues pruned to eliminate duplicates Z: 10 13.885 1.871 0.687 0.698 1.000 0.889 CB 1.225 11 residues pruned to eliminate duplicates Z: 13 6.980 1.689 0.555 0.350 0.833 0.500 CA 1.083 13 residues pruned to eliminate duplicates Z: 11 11.181 1.946 0.086 0.529 1.000 0.400 CA 1.626 12 residues pruned to eliminate duplicates Z: 18 12.830 2.040 0.477 0.481 0.882 0.588 CB 1.192 18 residues pruned to eliminate duplicates Z: 10 3.545 1.564 0.294 0.281 0.667 0.333 CB 1.122 10 residues pruned to eliminate duplicates Z: 32 13.425 2.018 0.376 0.268 0.742 0.452 CB 1.525 32 residues pruned to eliminate duplicates Z: 6 3.494 1.552 0.412 0.599 0.800 0.600 CA 0.811 6 residues pruned to eliminate duplicates Z: 8 5.422 1.440 0.322 0.576 1.000 0.714 N 1.001 8 residues pruned to eliminate duplicates Z: 11 13.624 1.976 0.625 0.791 1.000 0.800 CA 1.039 11 residues pruned to eliminate duplicates Z: 7 4.977 1.722 0.430 0.402 0.667 0.500 CA 1.372 7 residues pruned to eliminate duplicates Z: 18 11.746 1.767 0.481 0.597 0.882 0.706 CB 1.125 18 residues pruned to eliminate duplicates Z: 31 18.721 1.937 0.457 0.509 0.867 0.633 CB 1.385 31 residues pruned to eliminate duplicates Z: 19 19.334 2.069 0.528 0.403 0.944 0.667 CA 1.690 19 residues pruned to eliminate duplicates Z: 24 11.613 1.940 0.272 0.457 0.826 0.565 CB 1.242 24 residues pruned to eliminate duplicates Z: 11 6.164 2.070 0.397 0.422 0.600 0.400 CB 1.219 10 residues pruned to eliminate duplicates Z: 9 4.456 1.789 0.639 0.298 0.625 0.250 CB 1.078 9 residues pruned to eliminate duplicates Z: 9 2.998 1.452 0.069 0.293 0.875 0.375 CB 0.985 7 residues pruned to eliminate duplicates Z: 31 25.098 1.907 0.626 0.662 0.900 0.500 CB 1.414 31 residues pruned to eliminate duplicates Z: 7 3.650 1.211 0.724 0.719 0.667 0.500 CB 0.879 Z: 6 2.670 1.326 1.032 0.573 0.600 0.600 CB 0.688 Z: 6 5.623 1.737 0.370 0.624 1.000 0.600 CB 0.940 Z: 14 7.974 1.745 0.399 0.557 0.923 0.692 CB 0.928 13 residues pruned to eliminate duplicates 6 1.985 1.420 0.199 0.245 0.600 0.400 CB 1.166 ? Z: 9 3.373 1.409 0.819 0.262 0.625 0.375 CB 0.977 Z: 13 9.335 2.055 0.447 0.248 1.000 0.500 CA 1.212 13 residues pruned to eliminate duplicates Z: 16 11.439 2.050 0.197 0.321 0.867 0.667 CB 1.692 16 residues pruned to eliminate duplicates Z: 6 2.892 1.279 0.549 0.333 0.800 0.400 C 0.979 Z: 6 4.489 1.466 0.269 0.489 1.000 0.400 CA 1.092 Z: 14 10.820 1.878 0.541 0.404 0.846 0.615 N 1.356 14 residues pruned to eliminate duplicates Z: 30 20.709 1.953 0.517 0.640 0.828 0.448 CB 1.376 30 residues pruned to eliminate duplicates Z: 13 23.333 1.913 0.803 0.903 1.000 0.750 CB 1.392 13 residues pruned to eliminate duplicates Z: 12 6.677 1.739 0.230 0.586 0.818 0.455 CB 1.059 5 residues pruned to eliminate duplicates Z: 26 17.142 2.029 0.350 0.451 0.920 0.640 CA 1.431 26 residues pruned to eliminate duplicates Z: 7 4.819 1.681 0.107 0.520 0.833 0.500 N 1.243 Z: 6 4.338 1.735 0.136 0.633 1.000 0.800 C 0.869 Z: 18 5.942 1.511 0.390 0.318 0.765 0.294 CB 1.097 18 residues pruned to eliminate duplicates Z: 8 14.370 2.001 0.465 0.755 1.000 1.000 CA 1.475 8 residues pruned to eliminate duplicates Z: 8 3.810 1.384 0.257 0.413 1.000 0.429 CA 0.906 Z: 23 14.086 1.946 0.392 0.532 0.909 0.591 CB 1.182 23 residues pruned to eliminate duplicates Z: 12 9.188 1.852 0.188 0.510 1.000 0.818 CB 1.247 12 residues pruned to eliminate duplicates Z: 12 10.571 1.913 0.476 0.477 0.818 0.727 CA 1.413 12 residues pruned to eliminate duplicates Z: 7 2.483 1.421 0.517 0.248 0.667 0.667 CA 0.943 Z: 36 22.916 2.078 0.390 0.464 0.943 0.714 CA 1.475 36 residues pruned to eliminate duplicates Z: 28 13.465 1.906 0.398 0.333 0.889 0.519 CB 1.314 28 residues pruned to eliminate duplicates Z: 20 19.905 1.992 0.597 0.889 0.789 0.474 CB 1.309 20 residues pruned to eliminate duplicates Z: 7 2.772 1.494 0.014 0.572 0.833 0.667 N 0.836 7 residues pruned to eliminate duplicates Z: 45 26.228 1.983 0.664 0.578 0.886 0.545 CA 1.254 45 residues pruned to eliminate duplicates Z: 29 22.658 2.052 0.583 0.702 0.893 0.607 CA 1.229 29 residues pruned to eliminate duplicates Z: 14 3.921 1.774 0.159 0.279 0.692 0.308 CB 0.981 14 residues pruned to eliminate duplicates 6 1.740 1.382 0.167 0.320 0.800 0.600 CB 0.736 ? Z: 13 4.554 1.482 0.242 0.382 0.917 0.750 CB 0.884 13 residues pruned to eliminate duplicates Z: 9 8.861 2.001 0.295 0.422 0.875 0.625 CB 1.499 9 residues pruned to eliminate duplicates Z: 14 7.395 1.738 0.309 0.453 0.846 0.615 CB 1.118 14 residues pruned to eliminate duplicates Z: 15 10.724 1.925 0.307 0.354 0.929 0.429 CA 1.437 15 residues pruned to eliminate duplicates Z: 22 11.262 1.812 0.240 0.421 0.905 0.286 CA 1.313 22 residues pruned to eliminate duplicates 6 1.928 1.099 0.837 0.417 0.800 0.400 CB 0.582 ? Z: 17 7.774 1.787 0.128 0.378 0.812 0.500 CB 1.352 15 residues pruned to eliminate duplicates Z: 16 9.413 1.770 0.286 0.512 0.800 0.600 CB 1.319 16 residues pruned to eliminate duplicates Z: 10 2.468 1.276 0.562 0.246 0.667 0.222 CB 0.829 Z: 10 12.718 1.781 0.861 0.667 0.889 0.778 CB 1.233 10 residues pruned to eliminate duplicates Z: 26 18.975 1.919 0.374 0.570 0.880 0.480 N 1.529 26 residues pruned to eliminate duplicates Z: 18 9.734 1.889 0.485 0.414 0.824 0.529 CB 1.118 18 residues pruned to eliminate duplicates Z: 9 3.649 1.556 0.010 0.324 0.875 0.250 CB 1.139 9 residues pruned to eliminate duplicates Z: 8 6.582 1.808 0.032 0.590 1.000 0.714 N 1.223 8 residues pruned to eliminate duplicates Z: 39 31.872 2.090 0.776 0.580 0.895 0.500 CA 1.441 39 residues pruned to eliminate duplicates Z: 13 8.526 1.750 0.382 0.453 0.917 0.417 CB 1.165 13 residues pruned to eliminate duplicates Z: 7 6.003 1.855 0.452 0.310 0.833 0.500 CB 1.348 6 1.586 1.111 0.424 0.497 0.600 0.600 N 0.749 ? Z: 13 26.844 2.270 0.762 0.841 0.917 0.750 CA 1.576 13 residues pruned to eliminate duplicates Z: 20 20.901 1.981 0.771 0.755 0.947 0.579 CA 1.150 20 residues pruned to eliminate duplicates Z: 16 11.629 1.997 0.538 0.247 0.933 0.533 CA 1.402 16 residues pruned to eliminate duplicates Z: 6 3.632 1.019 0.695 0.802 1.000 0.800 C 0.722 Z: 7 5.725 1.536 0.714 0.386 0.833 0.667 CB 1.203 7 residues pruned to eliminate duplicates Z: 8 10.673 1.916 0.546 0.671 0.857 0.571 CA 1.357 8 residues pruned to eliminate duplicates Z: 10 11.059 1.693 0.210 0.741 1.000 0.667 CA 1.450 10 residues pruned to eliminate duplicates Z: 7 2.128 1.565 -0.191 0.284 0.667 0.333 CA 1.312 Z: 6 4.022 1.417 0.335 0.661 0.800 0.600 CA 1.024 4 residues pruned to eliminate duplicates Z: 16 10.102 1.931 0.342 0.321 0.933 0.667 CB 1.313 16 residues pruned to eliminate duplicates Z: 10 8.369 1.844 0.222 0.605 0.889 0.778 CA 1.260 10 residues pruned to eliminate duplicates Z: 13 3.879 1.444 0.406 0.283 0.667 0.250 N 1.057 11 residues pruned to eliminate duplicates Z: 6 2.356 1.291 0.435 0.601 1.000 0.800 CB 0.517 Z: 19 10.361 1.801 0.385 0.446 0.889 0.556 CB 1.164 19 residues pruned to eliminate duplicates Z: 9 2.742 1.282 0.344 0.455 0.875 0.375 CB 0.673 9 residues pruned to eliminate duplicates Z: 52 20.923 1.986 0.272 0.554 0.843 0.529 CB 1.305 52 residues pruned to eliminate duplicates Z: 8 3.787 1.627 0.441 0.451 0.714 0.571 CB 0.898 8 residues pruned to eliminate duplicates Z: 26 15.846 1.904 0.443 0.469 0.880 0.480 CA 1.352 26 residues pruned to eliminate duplicates Z: 9 4.327 1.556 0.164 0.374 0.875 0.625 N 1.105 9 1.011 1.399 0.216 0.171 0.500 0.250 CB 0.626 ? Z: 15 10.098 1.973 0.390 0.360 0.857 0.500 CB 1.335 14 residues pruned to eliminate duplicates Z: 7 3.583 1.644 -0.033 0.389 0.833 0.333 CB 1.242 6 1.086 1.396 0.253 0.285 0.800 0.400 CB 0.442 ? Z: 23 12.961 1.945 0.579 0.285 0.818 0.500 CA 1.401 23 residues pruned to eliminate duplicates Z: 22 25.801 2.137 0.690 0.552 0.905 0.667 CA 1.638 22 residues pruned to eliminate duplicates Z: 11 4.043 1.604 0.535 0.325 0.700 0.500 CB 0.899 11 residues pruned to eliminate duplicates 6 0.721 0.988 0.107 0.370 0.800 0.400 C 0.424 ? Z: 44 26.760 2.165 0.275 0.511 0.884 0.605 CA 1.655 44 residues pruned to eliminate duplicates Z: 6 2.231 1.475 0.183 0.316 1.000 0.800 CB 0.701 Z: 7 3.731 1.401 0.154 0.481 1.000 0.667 CA 0.960 Z: 7 2.425 1.439 0.415 0.471 0.667 0.500 C 0.751 Z: 6 4.135 1.468 0.331 0.601 0.800 0.800 CA 1.074 Z: 35 24.610 2.052 0.524 0.510 0.941 0.765 CA 1.420 35 residues pruned to eliminate duplicates Z: 8 5.553 2.019 0.757 0.171 0.714 0.286 CA 1.234 8 residues pruned to eliminate duplicates Z: 9 3.986 1.447 0.307 0.247 0.875 0.500 C 1.139 8 residues pruned to eliminate duplicates Z: 62 33.719 2.054 0.449 0.571 0.918 0.525 CA 1.475 62 residues pruned to eliminate duplicates Z: 12 16.396 2.056 0.563 0.846 0.818 0.273 CA 1.397 12 residues pruned to eliminate duplicates Z: 14 13.211 2.101 0.703 0.356 0.923 0.615 CB 1.296 14 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 15 7.820 1.996 0.186 0.253 0.857 0.500 CB 1.368 15 residues pruned to eliminate duplicates Z: 18 7.464 1.893 0.136 0.296 0.824 0.412 CB 1.283 18 residues pruned to eliminate duplicates Z: 6 3.334 1.702 0.275 0.259 0.800 0.200 CB 1.131 6 residues pruned to eliminate duplicates Z: 11 4.587 1.675 0.318 0.250 0.900 0.400 CA 0.973 11 residues pruned to eliminate duplicates Z: 13 6.816 1.756 0.526 0.233 0.917 0.417 CA 1.092 12 residues pruned to eliminate duplicates Z: 6 2.405 1.570 0.700 0.676 0.600 0.400 CB 0.571 6 residues pruned to eliminate duplicates Z: 17 8.740 1.829 0.340 0.324 0.875 0.375 CB 1.236 17 residues pruned to eliminate duplicates Z: 13 8.120 2.058 0.371 0.324 0.750 0.500 CB 1.344 13 residues pruned to eliminate duplicates Z: 17 8.118 1.886 0.345 0.241 0.875 0.562 CB 1.235 17 residues pruned to eliminate duplicates Z: 16 8.932 1.896 0.326 0.309 0.933 0.733 CB 1.215 16 residues pruned to eliminate duplicates Z: 23 16.899 2.042 0.406 0.487 0.955 0.591 CB 1.332 25 residues pruned to eliminate duplicates Z: 6 4.042 1.344 0.579 0.376 1.000 0.200 N 0.973 6 residues pruned to eliminate duplicates Z: 24 13.485 1.974 0.490 0.397 0.957 0.522 CB 1.115 24 residues pruned to eliminate duplicates Z: 22 13.566 2.045 0.333 0.435 0.952 0.524 CB 1.220 22 residues pruned to eliminate duplicates Z: 23 16.400 2.044 0.471 0.444 0.955 0.591 CB 1.290 23 residues pruned to eliminate duplicates Z: 6 2.924 1.513 0.447 0.384 0.800 0.400 CA 0.844 6 residues pruned to eliminate duplicates Z: 23 15.039 2.062 0.441 0.436 0.909 0.545 CB 1.267 23 residues pruned to eliminate duplicates Z: 16 10.754 1.959 0.428 0.433 0.933 0.533 CB 1.140 16 residues pruned to eliminate duplicates Z: 14 10.128 2.009 0.374 0.484 0.846 0.538 CB 1.223 14 residues pruned to eliminate duplicates Z: 22 13.664 2.018 0.448 0.480 0.905 0.524 CB 1.152 24 residues pruned to eliminate duplicates Z: 6 3.725 1.752 0.262 0.377 1.000 0.400 CB 0.860 6 residues pruned to eliminate duplicates Z: 10 8.536 1.934 0.412 0.396 0.889 0.778 CB 1.308 10 residues pruned to eliminate duplicates Z: 9 8.802 1.866 0.554 0.340 0.875 0.375 N 1.461 11 residues pruned to eliminate duplicates Z: 9 8.000 1.840 0.427 0.326 0.875 0.625 N 1.491 9 residues pruned to eliminate duplicates Z: 13 7.307 1.703 0.598 0.256 0.750 0.333 CB 1.367 13 residues pruned to eliminate duplicates Z: 9 8.712 1.769 0.563 0.381 0.875 0.625 N 1.446 9 residues pruned to eliminate duplicates Z: 13 4.781 1.601 0.607 0.214 0.667 0.250 N 1.127 4 residues pruned to eliminate duplicates Z: 6 2.847 1.437 0.362 0.235 0.800 0.600 CA 1.108 6 residues pruned to eliminate duplicates Z: 20 14.772 1.968 0.236 0.399 0.947 0.474 CA 1.635 20 residues pruned to eliminate duplicates Z: 22 14.963 1.973 0.373 0.369 0.857 0.429 CB 1.618 22 residues pruned to eliminate duplicates Z: 24 13.314 1.900 0.183 0.332 0.913 0.478 CB 1.625 21 residues pruned to eliminate duplicates Z: 6 5.455 1.700 0.281 0.456 1.000 0.600 CA 1.171 6 residues pruned to eliminate duplicates Z: 19 10.327 1.949 0.265 0.343 0.833 0.389 CB 1.406 19 residues pruned to eliminate duplicates Z: 21 13.743 1.935 0.376 0.343 0.900 0.450 CB 1.521 21 residues pruned to eliminate duplicates Z: 23 12.163 1.871 0.223 0.349 0.864 0.455 CA 1.545 23 residues pruned to eliminate duplicates Z: 20 12.125 1.972 0.296 0.313 0.842 0.421 CB 1.590 20 residues pruned to eliminate duplicates Z: 20 13.630 1.992 0.188 0.375 0.947 0.474 CA 1.593 20 residues pruned to eliminate duplicates Z: 17 14.608 1.991 0.248 0.414 1.000 0.562 CB 1.607 17 residues pruned to eliminate duplicates Z: 19 14.465 2.002 0.296 0.378 0.944 0.500 CB 1.585 19 residues pruned to eliminate duplicates Z: 22 13.167 1.946 0.349 0.345 0.905 0.381 CB 1.432 22 residues pruned to eliminate duplicates Z: 8 6.078 1.977 0.301 0.367 0.857 0.143 CB 1.201 7 residues pruned to eliminate duplicates Z: 9 4.527 1.762 0.397 0.457 0.875 0.250 CB 0.777 9 residues pruned to eliminate duplicates Z: 8 11.104 2.017 0.358 0.511 1.000 0.143 CB 1.514 8 residues pruned to eliminate duplicates Z: 8 4.744 1.755 0.498 0.347 0.714 0.286 CB 1.127 8 residues pruned to eliminate duplicates Z: 9 9.695 1.969 0.583 0.469 0.875 0.375 CB 1.298 9 residues pruned to eliminate duplicates Z: 8 9.993 1.881 0.465 0.592 1.000 0.571 CB 1.255 8 residues pruned to eliminate duplicates Z: 6 6.280 2.075 0.120 0.673 1.000 0.400 CA 1.031 6 residues pruned to eliminate duplicates Z: 15 10.325 1.844 0.518 0.580 0.857 0.357 CB 1.065 14 residues pruned to eliminate duplicates Z: 6 6.719 1.610 0.887 0.808 0.800 0.200 N 0.945 6 residues pruned to eliminate duplicates Z: 15 9.745 1.821 0.640 0.563 0.857 0.286 CB 0.957 15 residues pruned to eliminate duplicates Z: 6 4.651 1.703 0.651 0.349 0.800 0.600 CB 1.089 6 residues pruned to eliminate duplicates Z: 13 12.413 1.833 0.452 0.500 1.000 0.750 CB 1.346 17 residues pruned to eliminate duplicates Z: 6 4.338 1.746 0.320 0.392 0.800 0.600 CA 1.180 6 residues pruned to eliminate duplicates Z: 12 9.603 1.845 0.368 0.375 1.000 0.455 CA 1.311 12 residues pruned to eliminate duplicates Z: 7 4.823 1.865 0.535 0.464 0.667 0.500 CB 1.069 6 residues pruned to eliminate duplicates Z: 6 7.286 1.888 -0.087 0.810 1.000 0.800 CA 1.441 8 residues pruned to eliminate duplicates Z: 6 6.178 1.896 -0.277 0.852 1.000 0.800 CA 1.491 6 residues pruned to eliminate duplicates Z: 10 5.381 1.870 0.043 0.416 0.667 0.667 CA 1.507 9 residues pruned to eliminate duplicates Z: 7 6.952 1.837 0.344 0.357 0.833 0.667 CB 1.609 8 residues pruned to eliminate duplicates Z: 6 8.645 1.987 0.269 0.538 0.800 0.800 CB 1.846 7 residues pruned to eliminate duplicates Z: 6 3.504 1.534 0.184 0.348 1.000 0.600 CA 1.017 6 residues pruned to eliminate duplicates Z: 25 15.124 2.075 0.332 0.358 0.875 0.458 CA 1.488 25 residues pruned to eliminate duplicates Z: 37 22.915 2.179 0.320 0.420 0.889 0.500 CA 1.624 37 residues pruned to eliminate duplicates Z: 36 20.508 2.121 0.341 0.391 0.857 0.457 CB 1.596 36 residues pruned to eliminate duplicates Z: 37 24.951 2.151 0.446 0.501 0.889 0.611 CB 1.503 37 residues pruned to eliminate duplicates Z: 7 6.101 2.055 0.608 0.439 0.667 0.667 CA 1.203 7 residues pruned to eliminate duplicates Z: 18 16.370 2.130 0.531 0.339 0.882 0.471 CA 1.645 17 residues pruned to eliminate duplicates Z: 7 4.771 1.945 0.190 0.298 0.833 0.333 CA 1.266 7 residues pruned to eliminate duplicates Z: 38 23.753 2.121 0.327 0.463 0.946 0.622 CB 1.522 38 residues pruned to eliminate duplicates Z: 7 5.965 1.562 0.805 0.629 0.667 0.000 CB 1.148 7 residues pruned to eliminate duplicates Z: 38 22.527 2.153 0.420 0.463 0.811 0.405 CA 1.551 38 residues pruned to eliminate duplicates Z: 25 17.160 2.092 0.338 0.414 0.875 0.542 CA 1.565 25 residues pruned to eliminate duplicates Z: 39 21.525 2.115 0.394 0.448 0.816 0.526 CA 1.531 39 residues pruned to eliminate duplicates Z: 37 20.610 2.163 0.323 0.416 0.833 0.528 CA 1.573 37 residues pruned to eliminate duplicates Z: 24 21.051 2.157 0.521 0.416 0.913 0.565 CA 1.599 25 residues pruned to eliminate duplicates Z: 6 7.193 1.710 0.491 0.444 1.000 0.800 CB 1.336 6 residues pruned to eliminate duplicates Z: 38 22.956 2.105 0.366 0.482 0.865 0.541 CB 1.545 38 residues pruned to eliminate duplicates Z: 15 14.883 1.913 0.715 0.615 0.929 0.643 CB 1.171 15 residues pruned to eliminate duplicates Z: 13 16.520 2.152 0.459 0.714 1.000 0.750 CB 1.252 13 residues pruned to eliminate duplicates Z: 9 11.150 1.690 0.465 0.804 0.875 0.250 CA 1.396 Z: 8 9.042 1.627 0.417 0.810 0.857 0.000 CA 1.320 8 residues pruned to eliminate duplicates Z: 9 10.619 1.737 0.613 0.811 0.750 0.125 CA 1.363 9 residues pruned to eliminate duplicates Z: 6 6.917 1.792 1.003 0.633 0.600 0.000 CB 1.268 6 residues pruned to eliminate duplicates Z: 8 7.231 1.755 1.043 0.425 0.714 0.143 CB 1.153 8 residues pruned to eliminate duplicates Z: 6 4.681 1.734 0.924 0.416 0.800 0.800 CB 0.856 Z: 7 5.585 1.929 0.876 0.291 0.667 0.667 CA 1.194 13 residues pruned to eliminate duplicates Z: 29 16.428 1.938 0.418 0.375 0.857 0.500 CB 1.506 29 residues pruned to eliminate duplicates Z: 29 16.407 1.932 0.453 0.303 0.857 0.429 CB 1.606 29 residues pruned to eliminate duplicates Z: 26 16.269 2.008 0.390 0.383 0.880 0.520 N 1.499 26 residues pruned to eliminate duplicates Z: 22 18.528 1.986 0.472 0.392 0.905 0.476 CB 1.714 22 residues pruned to eliminate duplicates Z: 15 8.389 1.841 0.490 0.320 0.714 0.357 N 1.396 15 residues pruned to eliminate duplicates Z: 29 16.523 1.872 0.387 0.362 0.893 0.393 CA 1.564 43 residues pruned to eliminate duplicates Z: 11 7.523 1.738 0.343 0.489 0.800 0.400 CB 1.287 11 residues pruned to eliminate duplicates Z: 26 21.007 2.006 0.586 0.424 0.920 0.440 CB 1.553 27 residues pruned to eliminate duplicates Z: 6 5.321 1.786 0.532 0.779 1.000 0.600 N 0.680 6 residues pruned to eliminate duplicates Z: 28 16.941 2.005 0.461 0.333 0.852 0.444 N 1.568 28 residues pruned to eliminate duplicates Z: 6 4.512 1.852 0.706 0.632 0.800 0.600 N 0.705 6 residues pruned to eliminate duplicates Z: 22 17.980 2.009 0.441 0.431 0.905 0.619 N 1.610 22 residues pruned to eliminate duplicates Z: 15 14.751 2.051 0.388 0.464 0.929 0.643 N 1.547 15 residues pruned to eliminate duplicates Z: 23 17.450 1.969 0.373 0.416 0.909 0.500 CB 1.653 23 residues pruned to eliminate duplicates Z: 26 21.599 2.075 0.385 0.402 0.960 0.480 N 1.735 26 residues pruned to eliminate duplicates Z: 29 15.963 1.923 0.548 0.326 0.821 0.536 N 1.494 29 residues pruned to eliminate duplicates Z: 17 11.715 2.010 0.142 0.401 1.000 0.500 N 1.415 17 residues pruned to eliminate duplicates Z: 22 20.121 2.036 0.488 0.415 0.952 0.571 N 1.664 22 residues pruned to eliminate duplicates Z: 7 3.196 1.685 0.051 0.314 0.833 0.500 CB 1.086 7 residues pruned to eliminate duplicates Z: 27 17.938 1.957 0.457 0.372 0.962 0.500 N 1.471 27 residues pruned to eliminate duplicates Z: 16 8.104 1.857 0.287 0.275 0.867 0.267 CB 1.303 20 residues pruned to eliminate duplicates Z: 39 24.563 2.044 0.393 0.584 0.947 0.553 CA 1.362 41 residues pruned to eliminate duplicates Z: 47 27.649 2.055 0.415 0.552 0.957 0.543 CA 1.393 48 residues pruned to eliminate duplicates Z: 21 16.213 2.031 0.401 0.416 0.950 0.450 CA 1.464 21 residues pruned to eliminate duplicates Z: 27 15.405 1.983 0.161 0.401 1.000 0.500 CA 1.457 27 residues pruned to eliminate duplicates Z: 26 14.487 1.956 0.272 0.364 0.960 0.440 CB 1.404 26 residues pruned to eliminate duplicates Z: 38 21.826 2.016 0.473 0.515 0.892 0.486 CA 1.335 37 residues pruned to eliminate duplicates Z: 19 13.964 1.985 0.383 0.366 0.944 0.333 CA 1.466 19 residues pruned to eliminate duplicates Z: 22 13.998 1.957 0.306 0.391 0.952 0.381 CB 1.408 23 residues pruned to eliminate duplicates Z: 34 21.273 1.909 0.606 0.472 0.939 0.485 CA 1.323 34 residues pruned to eliminate duplicates Z: 50 32.051 2.110 0.424 0.603 0.980 0.592 CA 1.410 50 residues pruned to eliminate duplicates Z: 28 12.697 1.918 0.306 0.327 0.815 0.333 CA 1.447 27 residues pruned to eliminate duplicates Z: 25 13.532 2.032 0.291 0.383 0.875 0.542 CA 1.363 25 residues pruned to eliminate duplicates Z: 25 10.604 1.950 0.155 0.398 0.833 0.500 CB 1.285 25 residues pruned to eliminate duplicates Z: 42 23.500 1.985 0.434 0.534 0.902 0.610 CA 1.382 42 residues pruned to eliminate duplicates Z: 26 16.092 2.000 0.431 0.344 0.920 0.440 CB 1.448 26 residues pruned to eliminate duplicates Z: 67 37.049 2.073 0.459 0.576 0.955 0.591 CA 1.468 67 residues pruned to eliminate duplicates Z: 26 15.803 2.026 0.418 0.408 0.800 0.480 CA 1.514 26 residues pruned to eliminate duplicates Z: 36 28.927 2.097 0.566 0.621 0.943 0.629 CA 1.409 36 residues pruned to eliminate duplicates Z: 38 24.027 2.083 0.325 0.596 0.946 0.676 CA 1.380 38 residues pruned to eliminate duplicates Z: 41 22.232 2.025 0.376 0.577 0.900 0.500 CA 1.302 41 residues pruned to eliminate duplicates Z: 20 15.029 1.948 0.453 0.753 0.947 0.737 CA 1.026 20 residues pruned to eliminate duplicates Z: 67 39.914 2.083 0.536 0.597 0.924 0.576 CA 1.514 71 residues pruned to eliminate duplicates Z: 12 18.734 2.139 0.710 0.893 0.909 0.455 CA 1.220 12 residues pruned to eliminate duplicates Z: 40 28.298 2.046 0.598 0.589 0.949 0.487 CA 1.341 40 residues pruned to eliminate duplicates Z: 27 21.286 2.029 0.491 0.638 0.962 0.423 CA 1.262 27 residues pruned to eliminate duplicates Z: 47 22.007 2.017 0.385 0.528 0.870 0.522 CA 1.300 47 residues pruned to eliminate duplicates Z: 14 16.671 1.962 0.725 0.797 0.923 0.615 CA 1.141 14 residues pruned to eliminate duplicates Z: 38 27.433 2.006 0.469 0.687 0.946 0.486 CA 1.364 38 residues pruned to eliminate duplicates Z: 24 23.591 2.078 0.631 0.718 1.000 0.522 CA 1.192 24 residues pruned to eliminate duplicates Z: 28 22.270 2.046 0.558 0.655 0.926 0.407 CA 1.257 28 residues pruned to eliminate duplicates Z: 40 28.837 2.045 0.567 0.572 0.974 0.538 CA 1.380 41 residues pruned to eliminate duplicates Z: 20 22.863 2.023 0.742 0.904 1.000 0.737 CA 1.060 20 residues pruned to eliminate duplicates Z: 22 21.199 1.962 0.808 0.624 0.952 0.429 CA 1.218 22 residues pruned to eliminate duplicates Z: 67 41.969 2.092 0.550 0.584 0.985 0.591 CA 1.492 67 residues pruned to eliminate duplicates Z: 17 22.516 2.102 0.770 0.862 0.938 0.625 CA 1.184 17 residues pruned to eliminate duplicates Z: 49 37.050 2.074 0.704 0.615 0.938 0.542 CA 1.447 49 residues pruned to eliminate duplicates Z: 66 39.051 2.116 0.555 0.590 0.908 0.600 CA 1.487 66 residues pruned to eliminate duplicates Z: 55 33.163 2.034 0.584 0.580 0.907 0.648 CA 1.429 55 residues pruned to eliminate duplicates Z: 36 34.865 2.103 0.600 0.717 0.971 0.600 CA 1.481 36 residues pruned to eliminate duplicates Z: 68 40.426 2.090 0.617 0.582 0.910 0.642 CA 1.483 68 residues pruned to eliminate duplicates Z: 26 26.134 2.099 0.681 0.526 1.000 0.680 CA 1.444 26 residues pruned to eliminate duplicates Z: 21 22.192 2.088 0.539 0.652 1.000 0.800 CB 1.340 21 residues pruned to eliminate duplicates Z: 30 21.898 2.073 0.547 0.683 0.862 0.586 CA 1.244 30 residues pruned to eliminate duplicates Z: 58 36.718 2.082 0.554 0.621 0.982 0.509 CA 1.365 58 residues pruned to eliminate duplicates Z: 35 27.831 2.081 0.709 0.628 0.912 0.559 CA 1.306 35 residues pruned to eliminate duplicates Z: 26 23.206 1.979 0.664 0.628 0.880 0.640 CB 1.420 26 residues pruned to eliminate duplicates Z: 41 33.894 2.097 0.727 0.641 0.975 0.575 CA 1.330 41 residues pruned to eliminate duplicates Z: 63 41.762 2.073 0.673 0.582 0.952 0.532 CB 1.485 63 residues pruned to eliminate duplicates Z: 13 25.053 1.995 0.764 0.872 1.000 0.667 CB 1.498 13 residues pruned to eliminate duplicates Z: 61 40.232 2.111 0.611 0.573 0.933 0.600 CA 1.524 61 residues pruned to eliminate duplicates Z: 67 40.849 2.091 0.634 0.584 0.924 0.409 CA 1.469 69 residues pruned to eliminate duplicates Z: 13 27.135 2.142 0.744 0.859 1.000 0.833 CB 1.543 13 residues pruned to eliminate duplicates Z: 66 44.753 2.126 0.697 0.598 0.938 0.600 CA 1.493 66 residues pruned to eliminate duplicates Z: 15 23.594 2.049 0.667 0.737 1.000 0.786 CB 1.492 15 residues pruned to eliminate duplicates Z: 45 32.930 2.103 0.626 0.598 0.955 0.591 CA 1.384 45 residues pruned to eliminate duplicates Z: 33 24.307 2.090 0.573 0.410 0.906 0.469 CB 1.586 33 residues pruned to eliminate duplicates Z: 7 4.523 1.523 0.635 0.464 0.833 0.500 CA 0.923 7 residues pruned to eliminate duplicates Z: 24 23.167 2.121 0.548 0.388 0.957 0.565 CA 1.732 24 residues pruned to eliminate duplicates Z: 33 20.766 1.926 0.760 0.321 0.906 0.500 CA 1.456 33 residues pruned to eliminate duplicates Z: 55 36.389 2.070 0.658 0.613 0.944 0.556 CA 1.373 55 residues pruned to eliminate duplicates Z: 85 44.296 2.092 0.616 0.536 0.905 0.488 CA 1.525 85 residues pruned to eliminate duplicates Z: 19 17.783 2.074 0.429 0.396 0.944 0.611 CA 1.671 19 residues pruned to eliminate duplicates Z: 79 41.215 2.079 0.501 0.507 0.962 0.436 CA 1.545 80 residues pruned to eliminate duplicates Z: 6 2.695 1.473 0.033 0.299 0.800 0.200 O 1.240 6 residues pruned to eliminate duplicates Z: 47 27.641 2.045 0.530 0.471 0.891 0.500 CB 1.504 47 residues pruned to eliminate duplicates Z: 6 4.009 1.368 0.792 0.399 1.000 0.600 C 0.814 6 residues pruned to eliminate duplicates Z: 61 34.641 2.092 0.505 0.580 0.933 0.650 CA 1.409 61 residues pruned to eliminate duplicates Z: 18 19.053 2.126 0.531 0.413 0.941 0.588 CA 1.653 18 residues pruned to eliminate duplicates Z: 24 21.565 2.096 0.591 0.462 0.913 0.609 CA 1.535 24 residues pruned to eliminate duplicates Z: 6 2.749 1.530 -0.005 0.238 1.000 0.600 CA 1.094 6 residues pruned to eliminate duplicates Z: 68 39.703 2.102 0.569 0.592 0.925 0.537 CA 1.456 68 residues pruned to eliminate duplicates Z: 74 42.020 2.081 0.630 0.575 0.945 0.630 CA 1.427 74 residues pruned to eliminate duplicates Z: 9 11.869 2.056 0.361 0.489 0.875 0.625 CA 1.733 9 residues pruned to eliminate duplicates Z: 51 25.815 1.993 0.457 0.489 0.860 0.620 CB 1.478 51 residues pruned to eliminate duplicates Z: 36 19.520 1.976 0.486 0.361 0.829 0.486 CB 1.576 36 residues pruned to eliminate duplicates Z: 65 36.789 2.059 0.551 0.572 0.906 0.609 CA 1.482 65 residues pruned to eliminate duplicates Z: 25 18.747 2.038 0.495 0.418 0.917 0.542 CB 1.493 25 residues pruned to eliminate duplicates Z: 25 21.855 2.084 0.548 0.502 0.875 0.583 CA 1.578 25 residues pruned to eliminate duplicates Z: 12 20.744 1.989 0.959 0.639 1.000 0.455 CA 1.409 13 residues pruned to eliminate duplicates Z: 12 18.343 1.999 0.750 0.668 1.000 0.455 CA 1.354 11 residues pruned to eliminate duplicates Z: 6 7.895 2.002 0.715 0.266 1.000 0.400 CA 1.343 5 residues pruned to eliminate duplicates Z: 7 8.954 1.840 1.080 0.444 0.833 0.333 CA 1.214 7 residues pruned to eliminate duplicates Z: 16 9.160 2.034 0.377 0.265 0.867 0.533 CB 1.273 16 residues pruned to eliminate duplicates Z: 20 10.083 1.900 0.259 0.320 0.895 0.632 CB 1.318 20 residues pruned to eliminate duplicates Z: 13 13.697 2.132 0.328 0.377 0.917 0.583 CB 1.737 13 residues pruned to eliminate duplicates Z: 15 15.023 1.956 0.682 0.376 0.929 0.500 CB 1.501 15 residues pruned to eliminate duplicates Z: 7 4.165 1.613 0.407 0.335 1.000 0.500 CA 0.898 7 residues pruned to eliminate duplicates Z: 14 11.690 2.047 0.584 0.323 0.846 0.462 CB 1.436 14 residues pruned to eliminate duplicates Z: 14 11.759 2.058 0.470 0.332 0.846 0.538 CA 1.531 14 residues pruned to eliminate duplicates Z: 74 42.907 2.152 0.587 0.531 0.918 0.630 CB 1.554 74 residues pruned to eliminate duplicates Z: 42 46.290 2.262 0.690 0.686 1.000 0.780 CA 1.594 42 residues pruned to eliminate duplicates Z: 15 8.659 2.104 0.618 0.291 0.929 0.571 CA 0.926 15 residues pruned to eliminate duplicates Z: 22 26.760 2.258 0.639 0.605 0.952 0.571 CA 1.500 22 residues pruned to eliminate duplicates Z: 10 7.922 2.066 0.407 0.317 0.889 0.333 CA 1.251 10 residues pruned to eliminate duplicates Z: 89 47.725 2.195 0.533 0.510 0.898 0.557 CA 1.667 89 residues pruned to eliminate duplicates Z: 44 41.310 2.246 0.528 0.653 0.977 0.581 CB 1.630 44 residues pruned to eliminate duplicates Z: 44 40.282 2.229 0.560 0.635 0.953 0.558 CB 1.633 44 residues pruned to eliminate duplicates Z: 34 34.545 2.202 0.720 0.621 0.909 0.576 CA 1.559 34 residues pruned to eliminate duplicates Z: 42 39.156 2.247 0.554 0.634 0.927 0.585 CA 1.666 42 residues pruned to eliminate duplicates Z: 96 49.252 2.205 0.427 0.549 0.937 0.558 CB 1.635 96 residues pruned to eliminate duplicates Z: 48 37.936 2.148 0.553 0.600 0.957 0.638 CA 1.575 48 residues pruned to eliminate duplicates Z: 52 38.568 2.209 0.527 0.573 0.941 0.569 CB 1.585 52 residues pruned to eliminate duplicates Z: 24 24.247 2.214 0.781 0.524 0.913 0.522 CA 1.370 24 residues pruned to eliminate duplicates Z: 43 35.508 2.208 0.513 0.641 0.905 0.524 CB 1.589 43 residues pruned to eliminate duplicates Z: 59 48.293 2.246 0.674 0.583 0.931 0.552 CB 1.672 59 residues pruned to eliminate duplicates Z: 24 21.368 2.169 0.684 0.548 0.870 0.391 CA 1.338 24 residues pruned to eliminate duplicates Z: 13 32.620 2.329 0.831 0.805 1.000 0.250 CA 1.692 13 residues pruned to eliminate duplicates Z: 37 43.318 2.249 0.707 0.725 0.972 0.639 CB 1.579 37 residues pruned to eliminate duplicates Z: 31 40.540 2.236 0.834 0.616 0.967 0.500 CA 1.673 31 residues pruned to eliminate duplicates Z: 43 33.198 2.071 0.678 0.595 0.857 0.429 CB 1.570 43 residues pruned to eliminate duplicates Z: 89 50.042 2.191 0.513 0.527 0.932 0.591 CB 1.682 89 residues pruned to eliminate duplicates Z: 38 43.302 2.260 0.760 0.656 0.973 0.486 CA 1.592 44 residues pruned to eliminate duplicates Z: 15 21.862 2.084 0.562 0.869 0.929 0.643 CA 1.412 15 residues pruned to eliminate duplicates Z: 68 42.634 2.228 0.593 0.548 0.881 0.478 CB 1.590 68 residues pruned to eliminate duplicates Z: 91 51.411 2.221 0.513 0.541 0.911 0.511 CA 1.701 91 residues pruned to eliminate duplicates Z: 23 26.676 2.154 0.787 0.656 0.864 0.455 CA 1.480 23 residues pruned to eliminate duplicates Z: 44 46.593 2.266 0.728 0.636 0.953 0.535 CB 1.675 44 residues pruned to eliminate duplicates Z: 51 44.462 2.200 0.710 0.625 0.920 0.480 CA 1.615 51 residues pruned to eliminate duplicates Z: 18 18.742 2.192 0.440 0.549 0.882 0.588 CB 1.555 18 residues pruned to eliminate duplicates Z: 87 48.304 2.183 0.534 0.506 0.930 0.488 CA 1.663 87 residues pruned to eliminate duplicates Z: 17 20.692 2.113 0.505 0.569 0.938 0.375 CB 1.624 17 residues pruned to eliminate duplicates Z: 45 46.036 2.235 0.717 0.632 0.955 0.523 CA 1.674 47 residues pruned to eliminate duplicates Z: 14 14.384 1.974 0.356 0.792 1.000 0.538 CB 1.153 14 residues pruned to eliminate duplicates Z: 62 45.142 2.218 0.652 0.530 0.951 0.541 CA 1.611 62 residues pruned to eliminate duplicates Z: 91 51.320 2.214 0.448 0.543 0.956 0.500 CA 1.692 91 residues pruned to eliminate duplicates Z: 97 54.189 2.213 0.483 0.579 0.938 0.615 CA 1.665 97 residues pruned to eliminate duplicates Z: 47 43.483 2.168 0.733 0.620 1.000 0.435 CA 1.524 47 residues pruned to eliminate duplicates Z: 52 38.959 2.185 0.648 0.556 0.882 0.373 CB 1.626 52 residues pruned to eliminate duplicates Z: 63 46.637 2.219 0.693 0.534 0.952 0.532 CB 1.602 63 residues pruned to eliminate duplicates Z: 42 47.693 2.253 0.747 0.673 0.976 0.463 CA 1.654 42 residues pruned to eliminate duplicates Z: 57 43.470 2.211 0.582 0.555 0.964 0.464 CB 1.633 57 residues pruned to eliminate duplicates Z: 71 47.816 2.236 0.591 0.550 0.943 0.529 CA 1.623 71 residues pruned to eliminate duplicates Z: 59 43.252 2.194 0.595 0.510 0.966 0.431 CA 1.664 59 residues pruned to eliminate duplicates Z: 63 46.846 2.227 0.603 0.537 0.968 0.468 CA 1.661 63 residues pruned to eliminate duplicates Z: 53 46.123 2.235 0.691 0.584 0.981 0.442 CB 1.592 53 residues pruned to eliminate duplicates Z: 28 20.619 2.199 0.516 0.351 0.852 0.481 CB 1.642 28 residues pruned to eliminate duplicates Z: 86 46.810 2.165 0.555 0.504 0.918 0.518 CB 1.636 86 residues pruned to eliminate duplicates Z: 87 44.986 2.174 0.514 0.478 0.919 0.430 CA 1.640 87 residues pruned to eliminate duplicates Z: 71 50.944 2.233 0.640 0.560 0.957 0.614 CA 1.639 71 residues pruned to eliminate duplicates Z: 61 48.574 2.238 0.666 0.567 0.933 0.533 CA 1.689 61 residues pruned to eliminate duplicates Z: 65 35.472 2.180 0.432 0.439 0.891 0.516 CB 1.699 65 residues pruned to eliminate duplicates Z: 63 44.237 2.217 0.614 0.526 0.952 0.484 CA 1.608 63 residues pruned to eliminate duplicates Z: 59 46.373 2.222 0.724 0.551 0.966 0.534 CB 1.566 59 residues pruned to eliminate duplicates Z: 61 49.660 2.234 0.703 0.571 0.950 0.483 CB 1.656 61 residues pruned to eliminate duplicates Z: 39 25.132 2.189 0.269 0.403 0.921 0.553 CA 1.765 39 residues pruned to eliminate duplicates Z: 99 49.555 2.180 0.535 0.524 0.888 0.520 CB 1.647 99 residues pruned to eliminate duplicates Z: 48 31.567 2.191 0.442 0.432 0.894 0.532 CB 1.750 48 residues pruned to eliminate duplicates Z: 91 49.395 2.208 0.518 0.530 0.922 0.511 CB 1.636 91 residues pruned to eliminate duplicates Z: 45 31.977 2.183 0.620 0.452 0.909 0.545 CB 1.575 45 residues pruned to eliminate duplicates Z: 45 26.091 2.205 0.424 0.421 0.909 0.386 CB 1.497 45 residues pruned to eliminate duplicates Z: 77 39.170 2.174 0.506 0.502 0.842 0.434 CB 1.625 77 residues pruned to eliminate duplicates Z: 111 49.667 2.146 0.505 0.532 0.891 0.509 CB 1.595 111 residues pruned to eliminate duplicates Z: 86 47.441 2.194 0.593 0.490 0.906 0.471 CA 1.641 86 residues pruned to eliminate duplicates Z: 93 44.957 2.165 0.518 0.490 0.891 0.489 CB 1.616 93 residues pruned to eliminate duplicates Z: 90 40.099 2.121 0.475 0.445 0.888 0.449 CA 1.621 90 residues pruned to eliminate duplicates Z: 31 23.094 2.184 0.101 0.597 0.900 0.700 CB 1.775 31 residues pruned to eliminate duplicates Z: 43 22.171 2.156 0.329 0.328 0.857 0.500 CB 1.683 43 residues pruned to eliminate duplicates Z: 60 30.727 2.126 0.418 0.408 0.898 0.458 CB 1.627 60 residues pruned to eliminate duplicates Z: 84 43.450 2.208 0.443 0.490 0.892 0.470 CA 1.697 84 residues pruned to eliminate duplicates Z: 21 15.574 2.016 0.293 0.438 0.850 0.550 N 1.675 21 residues pruned to eliminate duplicates Z: 60 34.221 2.153 0.487 0.505 0.847 0.576 CB 1.635 60 residues pruned to eliminate duplicates Z: 18 8.800 1.847 0.286 0.343 0.765 0.412 N 1.393 18 residues pruned to eliminate duplicates Z: 86 45.836 2.178 0.481 0.495 0.929 0.506 CA 1.667 86 residues pruned to eliminate duplicates Z: 21 16.189 2.144 0.025 0.561 0.850 0.650 N 1.827 21 residues pruned to eliminate duplicates Z: 86 43.727 2.167 0.453 0.498 0.941 0.482 CB 1.604 86 residues pruned to eliminate duplicates Z: 21 12.646 1.904 0.289 0.427 0.850 0.500 N 1.461 21 residues pruned to eliminate duplicates Z: 18 22.915 2.244 0.193 0.662 0.941 0.647 CB 1.898 18 residues pruned to eliminate duplicates Z: 12 12.214 2.021 0.334 0.455 0.909 0.636 N 1.573 12 residues pruned to eliminate duplicates Z: 22 20.085 2.178 0.105 0.690 0.952 0.810 CB 1.606 22 residues pruned to eliminate duplicates Z: 18 19.570 2.181 0.315 0.616 0.941 0.647 CB 1.576 18 residues pruned to eliminate duplicates Z: 87 45.669 2.185 0.545 0.490 0.930 0.512 CA 1.584 87 residues pruned to eliminate duplicates Z: 54 31.143 2.150 0.390 0.466 0.887 0.566 CB 1.670 54 residues pruned to eliminate duplicates Z: 49 26.764 2.095 0.351 0.571 0.833 0.542 CA 1.530 49 residues pruned to eliminate duplicates Z: 23 25.815 2.186 0.281 0.735 0.955 0.955 CB 1.668 23 residues pruned to eliminate duplicates Z: 21 21.640 2.152 0.150 0.697 0.950 0.700 CB 1.720 21 residues pruned to eliminate duplicates Z: 22 27.093 2.144 0.382 0.697 0.952 0.857 CB 1.750 22 residues pruned to eliminate duplicates Z: 55 30.627 2.157 0.362 0.509 0.870 0.574 CB 1.615 55 residues pruned to eliminate duplicates Z: 29 25.899 2.069 0.385 0.707 0.929 0.821 CB 1.523 29 residues pruned to eliminate duplicates Z: 54 27.351 2.032 0.386 0.564 0.868 0.679 CB 1.445 54 residues pruned to eliminate duplicates Z: 43 28.245 2.156 0.294 0.490 0.929 0.619 CB 1.698 43 residues pruned to eliminate duplicates Z: 33 23.009 1.997 0.264 0.723 0.875 0.750 CA 1.505 33 residues pruned to eliminate duplicates Z: 41 27.088 1.910 0.632 0.578 0.825 0.500 CB 1.546 41 residues pruned to eliminate duplicates Z: 110 49.751 2.164 0.520 0.540 0.890 0.569 CB 1.566 110 residues pruned to eliminate duplicates Z: 34 26.355 2.068 0.617 0.638 0.818 0.576 CB 1.473 34 residues pruned to eliminate duplicates Z: 21 17.609 1.928 0.507 0.686 0.950 0.350 CB 1.203 21 residues pruned to eliminate duplicates Z: 34 27.037 2.093 0.480 0.618 0.879 0.545 CB 1.546 34 residues pruned to eliminate duplicates Z: 37 20.298 1.934 0.309 0.575 0.806 0.444 CB 1.544 37 residues pruned to eliminate duplicates Z: 30 25.530 2.013 0.639 0.709 0.862 0.586 CB 1.379 30 residues pruned to eliminate duplicates Z: 57 27.359 2.016 0.406 0.566 0.857 0.500 CB 1.413 57 residues pruned to eliminate duplicates Z: 34 28.238 2.072 0.553 0.628 0.879 0.576 CB 1.542 34 residues pruned to eliminate duplicates Z: 14 6.385 1.960 0.312 0.332 0.615 0.538 CA 1.346 14 residues pruned to eliminate duplicates Z: 62 25.488 1.987 0.499 0.493 0.787 0.426 CB 1.403 62 residues pruned to eliminate duplicates Z: 57 31.238 2.088 0.484 0.485 0.839 0.429 CB 1.630 57 residues pruned to eliminate duplicates Z: 108 47.581 2.129 0.545 0.493 0.869 0.439 CB 1.620 108 residues pruned to eliminate duplicates Z: 7 3.655 1.656 0.037 0.268 0.833 0.500 CA 1.358 7 residues pruned to eliminate duplicates Z: 52 26.288 2.033 0.515 0.555 0.824 0.490 CB 1.375 52 residues pruned to eliminate duplicates Z: 118 49.936 2.152 0.512 0.543 0.872 0.479 CB 1.560 118 residues pruned to eliminate duplicates Z: 26 13.514 1.974 0.377 0.373 0.880 0.560 CB 1.295 26 residues pruned to eliminate duplicates Z: 43 18.580 1.964 0.458 0.507 0.786 0.429 CB 1.266 43 residues pruned to eliminate duplicates Z: 18 11.038 2.023 0.322 0.399 0.882 0.412 CB 1.262 18 residues pruned to eliminate duplicates Z: 21 9.776 1.961 0.260 0.363 0.850 0.550 CB 1.206 21 residues pruned to eliminate duplicates Z: 24 10.772 1.875 0.266 0.404 0.870 0.478 CB 1.203 24 residues pruned to eliminate duplicates Z: 18 11.774 1.978 0.197 0.470 0.941 0.588 CB 1.321 18 residues pruned to eliminate duplicates Z: 26 10.890 1.861 0.393 0.352 0.800 0.480 CB 1.233 26 residues pruned to eliminate duplicates Z: 20 11.008 1.886 0.318 0.404 0.895 0.579 CB 1.255 20 residues pruned to eliminate duplicates Z: 14 13.171 2.131 0.222 0.516 1.000 0.538 CB 1.381 14 residues pruned to eliminate duplicates Z: 14 10.680 2.117 0.288 0.509 0.846 0.692 CB 1.272 14 residues pruned to eliminate duplicates Z: 24 11.604 1.930 0.347 0.366 0.913 0.435 CB 1.178 24 residues pruned to eliminate duplicates Z: 26 10.539 1.879 0.198 0.353 0.880 0.360 CB 1.247 26 residues pruned to eliminate duplicates Z: 14 8.720 1.935 0.233 0.360 0.923 0.385 CB 1.277 14 residues pruned to eliminate duplicates Z: 19 9.833 1.952 0.325 0.433 0.944 0.444 CB 1.018 19 residues pruned to eliminate duplicates Z: 15 6.763 1.702 0.383 0.390 0.714 0.357 CB 1.207 15 residues pruned to eliminate duplicates Z: 21 11.473 1.979 0.223 0.454 0.850 0.500 CB 1.307 21 residues pruned to eliminate duplicates Z: 27 10.714 1.931 0.234 0.371 0.846 0.423 CB 1.197 27 residues pruned to eliminate duplicates Z: 21 10.648 1.959 0.218 0.470 0.850 0.450 CB 1.211 21 residues pruned to eliminate duplicates Z: 21 10.873 1.980 0.211 0.446 0.850 0.550 CB 1.261 21 residues pruned to eliminate duplicates 6 1.876 1.700 0.237 0.236 0.400 0.200 CB 1.355 ? 7 1.374 1.472 0.280 0.083 0.500 0.333 O 1.021 ? Z: 14 5.593 1.816 0.557 0.110 0.615 0.231 CB 1.460 14 residues pruned to eliminate duplicates Z: 11 2.688 1.654 0.141 0.056 0.600 0.400 CA 1.349 11 residues pruned to eliminate duplicates Z: 26 13.750 1.900 0.589 0.326 0.800 0.440 CA 1.379 26 residues pruned to eliminate duplicates Z: 15 7.027 1.851 0.304 0.345 0.714 0.286 CA 1.289 15 residues pruned to eliminate duplicates Z: 20 5.663 1.714 0.181 0.268 0.737 0.316 CA 1.134 20 residues pruned to eliminate duplicates Z: 15 8.725 1.938 0.477 0.301 0.857 0.429 CA 1.187 15 residues pruned to eliminate duplicates Z: 16 9.300 1.712 0.449 0.366 0.933 0.467 CB 1.197 16 residues pruned to eliminate duplicates Z: 10 6.784 1.959 0.321 0.445 0.667 0.556 CB 1.387 10 residues pruned to eliminate duplicates Z: 20 15.384 1.933 0.689 0.395 0.895 0.579 CA 1.349 20 residues pruned to eliminate duplicates Z: 16 6.403 1.830 0.396 0.304 0.667 0.400 CA 1.207 16 residues pruned to eliminate duplicates Z: 11 4.521 1.805 0.319 0.315 0.700 0.400 CA 1.053 11 residues pruned to eliminate duplicates Z: 12 5.868 1.823 0.230 0.346 0.818 0.364 CA 1.140 12 residues pruned to eliminate duplicates Z: 18 12.894 1.931 0.597 0.401 0.824 0.529 CA 1.367 18 residues pruned to eliminate duplicates Z: 20 10.745 1.984 0.540 0.374 0.737 0.526 CA 1.253 20 residues pruned to eliminate duplicates Z: 26 10.719 1.860 0.361 0.332 0.760 0.600 CB 1.340 26 residues pruned to eliminate duplicates Z: 39 15.747 1.817 0.475 0.357 0.816 0.474 CA 1.364 39 residues pruned to eliminate duplicates Z: 11 9.538 2.081 0.645 0.489 0.800 0.700 CA 1.113 11 residues pruned to eliminate duplicates Z: 19 12.155 1.921 0.499 0.374 0.889 0.667 CA 1.281 19 residues pruned to eliminate duplicates Z: 11 9.535 2.003 0.665 0.433 0.800 0.600 CA 1.211 11 residues pruned to eliminate duplicates Z: 19 12.885 2.011 0.489 0.353 0.833 0.556 CA 1.426 19 residues pruned to eliminate duplicates Z: 20 10.438 1.959 0.488 0.271 0.789 0.579 CA 1.349 20 residues pruned to eliminate duplicates Z: 35 15.619 1.942 0.478 0.321 0.794 0.500 CA 1.431 35 residues pruned to eliminate duplicates Z: 19 13.797 1.878 0.757 0.392 0.833 0.500 CA 1.326 19 residues pruned to eliminate duplicates Z: 42 27.807 1.990 0.328 0.597 0.927 0.634 CA 1.615 40 residues pruned to eliminate duplicates Z: 7 7.262 1.545 0.782 0.464 1.000 0.667 CA 1.117 7 residues pruned to eliminate duplicates Z: 20 14.313 2.142 0.496 0.434 0.789 0.579 CA 1.390 20 residues pruned to eliminate duplicates Z: 30 15.947 2.000 0.564 0.383 0.793 0.483 CA 1.352 30 residues pruned to eliminate duplicates Z: 14 13.328 1.890 0.621 0.440 0.846 0.538 N 1.516 14 residues pruned to eliminate duplicates Z: 53 36.898 2.064 0.596 0.557 0.885 0.635 CA 1.661 51 residues pruned to eliminate duplicates Z: 26 22.012 2.121 0.570 0.483 0.840 0.640 CB 1.601 26 residues pruned to eliminate duplicates Z: 43 29.123 2.083 0.387 0.609 0.905 0.667 CA 1.551 43 residues pruned to eliminate duplicates Z: 44 24.039 2.002 0.419 0.437 0.884 0.605 CA 1.558 44 residues pruned to eliminate duplicates Z: 35 36.449 2.034 0.491 0.737 0.971 0.794 CA 1.717 35 residues pruned to eliminate duplicates Z: 25 38.597 2.095 0.663 0.822 1.000 0.708 CB 1.710 25 residues pruned to eliminate duplicates Z: 40 32.647 2.038 0.577 0.645 0.897 0.641 CB 1.584 40 residues pruned to eliminate duplicates Z: 43 35.043 2.011 0.649 0.619 0.905 0.476 CA 1.610 43 residues pruned to eliminate duplicates Z: 26 20.434 2.071 0.628 0.438 0.840 0.640 CB 1.539 26 residues pruned to eliminate duplicates Z: 40 32.954 2.005 0.594 0.638 0.897 0.641 CB 1.617 40 residues pruned to eliminate duplicates Z: 39 32.365 2.048 0.549 0.636 0.895 0.658 CB 1.629 39 residues pruned to eliminate duplicates Z: 44 29.226 2.058 0.565 0.527 0.814 0.535 CB 1.656 44 residues pruned to eliminate duplicates Z: 48 32.862 2.037 0.555 0.588 0.851 0.553 CA 1.634 48 residues pruned to eliminate duplicates Z: 38 40.937 2.041 0.650 0.710 0.973 0.676 CA 1.698 38 residues pruned to eliminate duplicates Z: 53 27.482 2.021 0.398 0.510 0.885 0.635 CA 1.509 53 residues pruned to eliminate duplicates Z: 44 36.011 2.065 0.744 0.580 0.884 0.465 CB 1.598 44 residues pruned to eliminate duplicates Z: 48 32.857 1.949 0.704 0.589 0.851 0.553 CB 1.558 48 residues pruned to eliminate duplicates Z: 26 33.537 1.998 0.790 0.795 0.920 0.520 CB 1.574 26 residues pruned to eliminate duplicates Z: 33 33.480 2.002 0.797 0.666 0.969 0.656 CB 1.456 33 residues pruned to eliminate duplicates Z: 29 27.294 2.014 0.609 0.720 0.929 0.571 CB 1.405 29 residues pruned to eliminate duplicates Z: 41 35.178 2.042 0.754 0.632 0.900 0.450 CB 1.525 46 residues pruned to eliminate duplicates Z: 24 28.609 2.030 0.706 0.868 0.826 0.348 CB 1.525 24 residues pruned to eliminate duplicates Z: 39 38.133 2.059 0.759 0.647 0.921 0.579 CB 1.616 39 residues pruned to eliminate duplicates Z: 40 31.022 2.055 0.684 0.656 0.821 0.487 CB 1.513 40 residues pruned to eliminate duplicates Z: 17 24.751 1.920 0.865 0.699 0.938 0.438 N 1.537 17 residues pruned to eliminate duplicates Z: 38 30.086 2.014 0.647 0.619 0.838 0.459 CB 1.590 38 residues pruned to eliminate duplicates Z: 38 36.365 2.030 0.710 0.678 0.919 0.541 CB 1.591 38 residues pruned to eliminate duplicates Z: 44 34.144 2.004 0.673 0.608 0.907 0.581 CB 1.546 44 residues pruned to eliminate duplicates Z: 30 35.420 2.029 0.729 0.736 0.966 0.586 CB 1.571 30 residues pruned to eliminate duplicates Z: 15 9.394 1.729 0.597 0.315 0.786 0.143 CB 1.420 12 residues pruned to eliminate duplicates Z: 8 4.887 1.607 1.272 0.457 0.714 0.429 CB 0.740 8 residues pruned to eliminate duplicates Z: 7 5.170 1.814 0.702 0.379 0.667 0.167 CB 1.166 7 residues pruned to eliminate duplicates Z: 13 9.198 1.601 0.754 0.342 0.917 0.417 CA 1.225 13 residues pruned to eliminate duplicates Z: 10 9.841 1.786 0.786 0.400 0.889 0.222 CB 1.286 10 residues pruned to eliminate duplicates Z: 11 8.461 1.678 0.768 0.334 0.900 0.300 CB 1.202 10 residues pruned to eliminate duplicates Z: 6 7.419 1.723 0.593 0.747 0.800 0.400 CA 1.212 6 residues pruned to eliminate duplicates Z: 8 5.163 1.779 0.288 0.730 0.857 0.571 CA 0.808 8 residues pruned to eliminate duplicates Z: 13 8.635 1.779 0.267 0.555 0.917 0.417 CA 1.143 6 residues pruned to eliminate duplicates Z: 6 4.966 1.918 0.879 0.787 0.600 0.600 CA 0.798 6 residues pruned to eliminate duplicates Z: 12 6.075 1.825 0.547 0.446 0.727 0.364 CB 0.943 12 residues pruned to eliminate duplicates Z: 6 7.234 1.812 0.869 0.495 0.800 0.400 CA 1.200 6 residues pruned to eliminate duplicates Z: 13 8.702 1.780 0.486 0.520 0.833 0.417 CB 1.117 13 residues pruned to eliminate duplicates Z: 9 6.985 1.720 0.635 0.472 0.875 0.750 CA 1.032 9 residues pruned to eliminate duplicates Z: 11 11.144 2.244 0.421 0.402 0.800 0.500 CA 1.532 11 residues pruned to eliminate duplicates Z: 18 7.810 1.956 0.275 0.292 0.706 0.353 CB 1.359 18 residues pruned to eliminate duplicates Z: 15 10.617 1.960 0.350 0.395 0.857 0.714 CB 1.397 15 residues pruned to eliminate duplicates Z: 7 4.008 1.927 0.459 0.367 0.667 0.667 CA 1.007 7 residues pruned to eliminate duplicates Z: 19 8.381 1.973 0.317 0.278 0.667 0.333 CB 1.465 19 residues pruned to eliminate duplicates Z: 16 8.398 2.101 0.139 0.378 0.733 0.467 CB 1.407 16 residues pruned to eliminate duplicates Z: 9 3.070 1.974 0.081 0.080 0.625 0.125 CB 1.403 9 residues pruned to eliminate duplicates Z: 23 9.990 1.874 0.342 0.245 0.773 0.318 CA 1.471 23 residues pruned to eliminate duplicates Z: 16 10.012 2.089 0.477 0.204 0.733 0.267 CB 1.625 16 residues pruned to eliminate duplicates Z: 29 13.752 2.061 0.476 0.232 0.714 0.429 CB 1.634 54 residues pruned to eliminate duplicates Z: 18 7.810 1.980 0.158 0.231 0.765 0.353 CB 1.478 Z: 10 10.578 1.894 0.424 0.518 0.889 0.333 CB 1.445 16 residues pruned to eliminate duplicates Z: 10 10.290 1.879 0.287 0.591 1.000 0.444 CA 1.301 10 residues pruned to eliminate duplicates Z: 9 8.335 1.884 0.269 0.444 0.875 0.375 CA 1.492 9 residues pruned to eliminate duplicates Z: 10 9.543 1.825 0.301 0.431 1.000 0.444 CB 1.439 10 residues pruned to eliminate duplicates Z: 11 9.007 1.863 0.210 0.417 1.000 0.300 CB 1.378 11 residues pruned to eliminate duplicates Z: 25 13.505 1.945 0.318 0.454 0.750 0.375 CB 1.502 25 residues pruned to eliminate duplicates Z: 7 8.354 1.957 0.179 0.593 1.000 0.667 N 1.353 7 residues pruned to eliminate duplicates Z: 22 17.159 1.994 0.411 0.501 0.857 0.476 CB 1.552 27 residues pruned to eliminate duplicates Z: 10 9.204 1.972 0.231 0.525 0.889 0.556 CA 1.386 10 residues pruned to eliminate duplicates Z: 20 15.746 2.019 0.450 0.567 0.842 0.632 CA 1.373 20 residues pruned to eliminate duplicates Z: 23 16.150 1.962 0.490 0.532 0.773 0.409 CA 1.477 23 residues pruned to eliminate duplicates Z: 24 16.879 2.000 0.443 0.472 0.826 0.391 CA 1.518 24 residues pruned to eliminate duplicates Z: 13 25.052 1.872 0.867 0.893 1.000 0.583 CA 1.486 11 residues pruned to eliminate duplicates Z: 11 23.083 2.109 0.695 0.863 0.900 0.700 CA 1.665 11 residues pruned to eliminate duplicates Z: 28 21.978 2.001 0.391 0.546 0.852 0.519 CB 1.705 27 residues pruned to eliminate duplicates Z: 12 22.243 2.000 0.718 0.876 0.909 0.636 CA 1.560 13 residues pruned to eliminate duplicates Z: 12 23.885 2.008 0.771 0.879 0.909 0.455 CA 1.616 12 residues pruned to eliminate duplicates Z: 15 11.138 1.959 0.462 0.498 0.714 0.143 CB 1.458 15 residues pruned to eliminate duplicates Z: 22 18.420 1.977 0.464 0.543 0.857 0.476 CB 1.553 22 residues pruned to eliminate duplicates Z: 13 24.890 2.037 0.790 0.780 1.000 0.667 CB 1.539 13 residues pruned to eliminate duplicates Z: 23 25.731 2.020 0.757 0.563 0.909 0.318 CA 1.600 23 residues pruned to eliminate duplicates Z: 8 8.978 1.579 0.996 0.503 0.857 0.429 CA 1.252 8 residues pruned to eliminate duplicates Z: 17 10.369 1.922 0.343 0.298 0.938 0.375 CA 1.342 17 residues pruned to eliminate duplicates Z: 17 10.683 1.913 0.349 0.306 0.938 0.312 CA 1.371 17 residues pruned to eliminate duplicates Z: 16 10.559 1.871 0.408 0.344 0.933 0.467 CA 1.313 15 residues pruned to eliminate duplicates Z: 7 6.089 1.646 0.613 0.344 0.833 0.333 CA 1.332 7 residues pruned to eliminate duplicates Z: 14 8.375 1.909 0.155 0.362 0.923 0.385 CA 1.324 14 residues pruned to eliminate duplicates Z: 14 12.802 1.945 0.428 0.483 0.923 0.462 CA 1.409 15 residues pruned to eliminate duplicates Z: 14 10.527 1.968 0.338 0.370 0.923 0.538 CA 1.381 14 residues pruned to eliminate duplicates Z: 17 9.593 1.900 0.376 0.358 0.812 0.500 CA 1.316 17 residues pruned to eliminate duplicates Z: 18 8.872 1.893 0.319 0.312 0.765 0.412 CA 1.388 18 residues pruned to eliminate duplicates Z: 17 9.422 1.898 0.379 0.318 0.812 0.375 CA 1.355 17 residues pruned to eliminate duplicates Z: 12 6.375 1.980 0.168 0.307 0.727 0.182 CA 1.416 12 residues pruned to eliminate duplicates Z: 15 7.261 1.825 0.316 0.338 0.786 0.429 CA 1.228 15 residues pruned to eliminate duplicates 565 residues left after pruning, divided into chains as follows: A: 6 B: 8 C: 19 D: 6 E: 13 F: 21 G: 21 H: 9 I: 9 J: 13 K: 6 L: 37 M: 7 N: 26 O: 85 P: 13 Q: 201 R: 13 S: 17 T: 21 U: 14 CC for partial structure against native data = 20.96 % ------------------------------------------------------------------------------ Global autotracing cycle 26 = 0.300, Contrast = 0.413, Connect. = 0.683 for dens.mod. cycle 1 = 0.300, Contrast = 0.473, Connect. = 0.702 for dens.mod. cycle 2 = 0.300, Contrast = 0.550, Connect. = 0.738 for dens.mod. cycle 3 = 0.300, Contrast = 0.556, Connect. = 0.742 for dens.mod. cycle 4 = 0.300, Contrast = 0.562, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.566, Connect. = 0.750 for dens.mod. cycle 6 = 0.300, Contrast = 0.570, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.572, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.574, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.574, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6880 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1199 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 32.581 2.127 0.771 0.906 0.947 0.684 CA 1.490 B: 16 16.892 2.113 0.231 0.839 0.933 0.867 CB 1.342 C: 11 20.906 2.278 0.323 0.888 1.000 0.800 CB 1.581 11 residues pruned to eliminate duplicates D: 27 20.529 2.044 0.386 0.406 0.923 0.538 CB 1.698 E: 12 24.547 2.003 1.087 0.907 0.909 0.818 CB 1.384 F: 17 19.496 2.111 0.349 0.906 1.000 0.875 CB 1.217 16 residues pruned to eliminate duplicates G: 16 26.239 2.195 0.744 0.902 0.933 0.600 CB 1.352 15 residues pruned to eliminate duplicates H: 22 36.438 2.140 0.776 0.901 1.000 0.857 CB 1.494 20 residues pruned to eliminate duplicates I: 9 21.565 2.249 0.613 0.868 1.000 0.625 CB 1.536 9 residues pruned to eliminate duplicates J: 12 19.301 1.924 0.604 0.828 1.000 0.545 CB 1.421 K: 21 37.062 2.257 0.742 0.920 1.000 0.850 CA 1.485 22 residues pruned to eliminate duplicates L: 11 18.358 2.187 0.458 0.896 0.900 0.900 CB 1.449 11 residues pruned to eliminate duplicates M: 18 19.215 2.025 0.314 0.882 0.882 0.765 CB 1.437 18 residues pruned to eliminate duplicates N: 9 4.861 1.715 0.191 0.432 0.750 0.625 CB 1.203 O: 12 26.620 1.982 0.989 0.896 1.000 0.818 CB 1.459 12 residues pruned to eliminate duplicates P: 22 29.583 2.025 0.448 0.871 0.952 0.810 CB 1.686 Q: 72 45.550 2.220 0.673 0.534 0.873 0.451 CA 1.612 21 residues pruned to eliminate duplicates R: 21 45.455 2.297 0.846 0.925 1.000 0.900 CA 1.682 31 residues pruned to eliminate duplicates S: 23 13.989 1.909 0.286 0.400 0.909 0.455 N 1.485 23 residues pruned to eliminate duplicates T: 15 22.472 1.939 0.864 0.899 0.929 0.643 CA 1.280 U: 12 24.329 2.103 0.958 0.887 0.909 0.727 CB 1.412 12 residues pruned to eliminate duplicates V: 24 10.095 1.957 0.268 0.376 0.739 0.348 CB 1.310 W: 16 19.744 2.133 0.323 0.882 1.000 0.933 CB 1.308 16 residues pruned to eliminate duplicates X: 22 44.166 2.203 0.940 0.892 1.000 0.714 CA 1.620 21 residues pruned to eliminate duplicates Y: 11 15.646 1.967 0.497 0.842 0.900 0.600 CA 1.391 12 residues pruned to eliminate duplicates Z: 19 20.198 2.063 0.279 0.846 0.944 0.778 CB 1.419 19 residues pruned to eliminate duplicates Z: 9 14.595 2.009 0.720 0.879 0.875 0.500 CB 1.238 9 residues pruned to eliminate duplicates Z: 7 4.939 1.759 -0.077 0.687 1.000 1.000 CB 1.047 Z: 10 8.751 1.979 0.036 0.855 0.778 0.556 CB 1.350 10 residues pruned to eliminate duplicates Z: 10 15.697 1.909 0.379 0.821 1.000 0.667 CA 1.504 Z: 41 26.860 2.178 0.298 0.463 0.900 0.650 CA 1.733 32 residues pruned to eliminate duplicates Z: 9 8.189 1.856 0.676 0.488 0.750 0.500 CB 1.256 Z: 8 10.046 1.889 0.654 0.569 0.857 0.714 CB 1.327 9 residues pruned to eliminate duplicates Z: 11 19.356 2.068 0.484 0.873 0.900 0.600 CA 1.614 11 residues pruned to eliminate duplicates Z: 6 11.757 1.929 0.742 0.630 1.000 1.000 CA 1.385 6 residues pruned to eliminate duplicates Z: 17 27.568 2.004 0.975 0.871 0.812 0.625 CA 1.563 17 residues pruned to eliminate duplicates Z: 22 36.240 2.070 0.633 0.898 1.000 0.857 CA 1.674 22 residues pruned to eliminate duplicates Z: 16 13.034 2.087 0.341 0.400 0.933 0.533 CA 1.431 Z: 40 32.865 2.151 0.494 0.732 0.923 0.641 CA 1.440 32 residues pruned to eliminate duplicates Z: 22 27.295 1.968 0.543 0.844 0.905 0.762 CB 1.613 22 residues pruned to eliminate duplicates Z: 18 8.966 1.865 0.420 0.320 0.765 0.353 CB 1.309 Z: 25 12.823 1.950 0.590 0.416 0.917 0.542 CB 1.006 9 residues pruned to eliminate duplicates Z: 7 3.493 1.474 0.375 0.447 0.833 0.333 CA 0.892 7 residues pruned to eliminate duplicates Z: 14 9.840 1.769 0.476 0.463 0.846 0.462 N 1.283 Z: 19 32.589 2.315 0.516 0.923 0.944 0.889 CB 1.629 19 residues pruned to eliminate duplicates Z: 22 33.648 2.067 0.445 0.914 1.000 0.857 CB 1.738 22 residues pruned to eliminate duplicates Z: 15 12.552 2.080 0.281 0.381 0.929 0.643 CA 1.538 15 residues pruned to eliminate duplicates Z: 6 10.567 1.937 0.409 0.659 1.000 0.600 CB 1.494 9 residues pruned to eliminate duplicates Z: 72 45.161 2.210 0.580 0.541 0.915 0.493 CA 1.611 72 residues pruned to eliminate duplicates Z: 86 49.651 2.186 0.614 0.504 0.941 0.576 CA 1.616 78 residues pruned to eliminate duplicates Z: 12 7.323 1.759 0.359 0.403 0.727 0.636 CB 1.406 Z: 10 8.801 1.823 0.110 0.645 0.778 0.778 CB 1.629 Z: 42 30.853 2.104 0.397 0.655 0.902 0.683 CB 1.574 37 residues pruned to eliminate duplicates Z: 22 38.792 2.227 0.910 0.859 0.905 0.429 CB 1.619 22 residues pruned to eliminate duplicates Z: 48 49.348 2.206 0.726 0.677 1.000 0.553 CA 1.606 48 residues pruned to eliminate duplicates Z: 22 41.789 2.191 0.932 0.916 0.952 0.524 CB 1.598 22 residues pruned to eliminate duplicates Z: 15 18.738 1.973 0.683 0.865 0.857 0.500 CA 1.289 15 residues pruned to eliminate duplicates Z: 13 9.808 2.032 0.479 0.391 0.750 0.417 CB 1.411 13 residues pruned to eliminate duplicates Z: 17 23.363 2.079 0.662 0.822 0.938 0.500 CB 1.364 17 residues pruned to eliminate duplicates Z: 38 26.041 2.122 0.488 0.479 0.892 0.514 CA 1.553 16 residues pruned to eliminate duplicates Z: 19 31.555 2.159 0.817 0.881 0.944 0.889 CA 1.454 19 residues pruned to eliminate duplicates Z: 31 19.089 2.015 0.630 0.327 0.833 0.433 CA 1.540 10 residues pruned to eliminate duplicates Z: 34 24.340 2.160 0.627 0.342 0.879 0.455 CA 1.629 34 residues pruned to eliminate duplicates Z: 17 33.653 2.125 0.742 0.906 0.938 0.688 CA 1.724 18 residues pruned to eliminate duplicates Z: 11 16.576 1.817 0.468 0.845 1.000 0.900 CA 1.461 11 residues pruned to eliminate duplicates Z: 17 20.322 2.044 0.459 0.903 1.000 0.875 CA 1.215 17 residues pruned to eliminate duplicates Z: 19 34.604 2.302 0.690 0.906 0.889 0.556 CB 1.678 19 residues pruned to eliminate duplicates Z: 8 9.753 1.675 0.614 0.777 0.857 0.429 CA 1.245 Z: 32 22.087 2.096 0.408 0.477 0.903 0.548 CA 1.522 22 residues pruned to eliminate duplicates Z: 21 33.516 2.162 0.683 0.931 1.000 0.950 CA 1.440 21 residues pruned to eliminate duplicates Z: 13 14.704 1.700 0.713 0.818 0.917 0.583 CA 1.207 11 residues pruned to eliminate duplicates Z: 8 10.622 1.918 0.842 0.726 0.714 0.714 CB 1.298 8 residues pruned to eliminate duplicates Z: 6 7.758 2.070 0.393 0.511 0.800 0.600 CA 1.488 11 residues pruned to eliminate duplicates Z: 22 32.793 2.064 0.597 0.881 0.952 0.619 CB 1.650 22 residues pruned to eliminate duplicates Z: 21 42.609 2.309 0.666 0.929 1.000 0.700 CA 1.733 21 residues pruned to eliminate duplicates Z: 28 21.292 1.982 0.652 0.372 0.889 0.556 CB 1.615 28 residues pruned to eliminate duplicates Z: 12 19.037 1.927 0.720 0.853 1.000 0.727 CB 1.280 13 residues pruned to eliminate duplicates Z: 11 18.026 1.992 0.714 0.868 0.900 0.500 CB 1.355 12 residues pruned to eliminate duplicates Z: 10 11.033 1.926 0.303 0.521 1.000 0.556 CB 1.435 11 residues pruned to eliminate duplicates Z: 22 38.634 2.226 0.843 0.874 0.905 0.286 CB 1.653 22 residues pruned to eliminate duplicates Z: 85 44.494 2.195 0.499 0.499 0.917 0.500 CA 1.611 85 residues pruned to eliminate duplicates 8 1.759 1.361 0.019 0.362 0.714 0.571 CB 0.779 ? Z: 21 33.692 2.082 0.596 0.878 0.950 0.700 CA 1.732 21 residues pruned to eliminate duplicates Z: 56 40.963 2.083 0.687 0.658 0.964 0.564 CA 1.408 42 residues pruned to eliminate duplicates Z: 27 21.972 2.210 0.412 0.371 0.962 0.577 CB 1.649 27 residues pruned to eliminate duplicates Z: 22 39.252 2.182 0.722 0.933 1.000 0.952 CB 1.592 22 residues pruned to eliminate duplicates Z: 13 11.191 1.835 0.079 0.810 1.000 0.667 CB 1.245 13 residues pruned to eliminate duplicates Z: 11 8.075 2.212 0.019 0.460 0.800 0.500 CB 1.474 Z: 21 37.396 2.259 0.959 0.890 0.800 0.450 CA 1.699 21 residues pruned to eliminate duplicates Z: 35 26.097 2.084 0.462 0.511 0.971 0.588 CB 1.496 35 residues pruned to eliminate duplicates Z: 20 13.034 1.985 0.459 0.413 0.842 0.526 CB 1.342 20 residues pruned to eliminate duplicates Z: 12 3.898 1.626 0.246 0.371 0.818 0.455 CB 0.814 12 residues pruned to eliminate duplicates Z: 19 11.941 2.043 0.562 0.407 0.722 0.500 CB 1.346 Z: 8 6.819 1.711 0.189 0.564 0.857 0.286 CB 1.389 7 residues pruned to eliminate duplicates Z: 10 5.344 1.873 0.191 0.412 0.667 0.556 CA 1.313 10 residues pruned to eliminate duplicates Z: 16 34.254 2.003 0.983 0.877 0.933 0.667 CB 1.732 16 residues pruned to eliminate duplicates Z: 11 26.383 2.174 1.136 0.902 0.900 0.700 CB 1.425 11 residues pruned to eliminate duplicates Z: 16 34.974 2.225 0.856 0.908 0.933 0.533 CB 1.664 16 residues pruned to eliminate duplicates Z: 13 8.468 1.948 -0.110 0.454 1.000 0.833 CB 1.477 13 residues pruned to eliminate duplicates Z: 11 14.036 1.890 0.598 0.816 0.900 0.500 CA 1.241 11 residues pruned to eliminate duplicates Z: 85 40.581 2.055 0.542 0.526 0.893 0.548 CA 1.526 91 residues pruned to eliminate duplicates Z: 6 5.122 1.687 0.103 0.632 1.000 0.800 CB 1.087 Z: 11 15.881 1.819 0.723 0.748 1.000 0.600 CA 1.284 11 residues pruned to eliminate duplicates Z: 22 37.217 2.097 0.611 0.893 1.000 0.714 CA 1.727 22 residues pruned to eliminate duplicates Z: 16 17.881 2.084 0.596 0.551 0.867 0.533 CA 1.524 16 residues pruned to eliminate duplicates Z: 23 25.292 2.020 0.352 0.882 1.000 0.818 CA 1.429 23 residues pruned to eliminate duplicates Z: 6 7.826 2.109 0.020 0.472 1.000 0.600 N 1.672 11 residues pruned to eliminate duplicates Z: 23 29.707 2.035 0.631 0.841 0.909 0.591 CB 1.565 22 residues pruned to eliminate duplicates Z: 19 9.544 1.988 0.293 0.290 0.778 0.389 CB 1.425 11 residues pruned to eliminate duplicates Z: 11 13.952 1.774 0.419 0.801 0.900 0.700 O 1.497 11 residues pruned to eliminate duplicates Z: 15 17.366 1.890 0.155 0.880 1.000 0.857 CA 1.541 15 residues pruned to eliminate duplicates Z: 25 17.420 2.008 0.392 0.449 0.875 0.583 CA 1.531 25 residues pruned to eliminate duplicates Z: 8 4.977 1.806 0.229 0.419 0.714 0.714 CA 1.292 Z: 9 6.102 1.752 0.124 0.593 0.750 0.625 N 1.336 9 residues pruned to eliminate duplicates Z: 21 15.770 2.065 0.327 0.535 0.800 0.650 CB 1.555 21 residues pruned to eliminate duplicates Z: 34 21.483 2.041 0.449 0.519 0.909 0.667 CA 1.365 29 residues pruned to eliminate duplicates Z: 11 17.242 2.111 0.372 0.599 1.000 0.600 CB 1.713 11 residues pruned to eliminate duplicates Z: 7 6.705 2.098 0.300 0.530 1.000 0.667 CA 0.975 7 residues pruned to eliminate duplicates Z: 15 10.785 1.857 0.374 0.395 1.000 0.571 CA 1.263 Z: 12 12.516 2.067 0.668 0.453 0.818 0.545 CA 1.404 12 residues pruned to eliminate duplicates Z: 13 7.252 1.754 0.314 0.464 0.833 0.583 CA 1.130 12 residues pruned to eliminate duplicates Z: 8 9.951 1.890 0.371 0.583 0.857 0.714 CA 1.564 Z: 6 4.801 1.833 0.000 0.530 0.800 0.400 C 1.421 Z: 21 38.005 2.309 0.570 0.919 0.950 0.650 CA 1.739 21 residues pruned to eliminate duplicates Z: 79 31.633 2.084 0.358 0.464 0.846 0.449 CB 1.552 73 residues pruned to eliminate duplicates Z: 10 9.385 1.960 0.121 0.602 1.000 0.667 CA 1.292 10 residues pruned to eliminate duplicates 6 1.383 1.475 -0.183 0.452 0.800 0.600 CB 0.674 ? Z: 13 7.837 1.976 0.234 0.445 0.750 0.583 CB 1.308 11 residues pruned to eliminate duplicates Z: 12 9.040 2.137 0.376 0.354 0.909 0.545 CB 1.195 13 residues pruned to eliminate duplicates Z: 23 23.405 2.140 0.654 0.628 0.955 0.727 CA 1.310 22 residues pruned to eliminate duplicates Z: 15 8.707 1.910 0.240 0.512 0.857 0.429 CB 1.133 15 residues pruned to eliminate duplicates Z: 15 6.237 1.981 -0.045 0.338 0.714 0.429 CB 1.472 15 residues pruned to eliminate duplicates Z: 22 32.280 2.162 0.583 0.897 1.000 0.667 CA 1.473 22 residues pruned to eliminate duplicates Z: 22 17.546 2.134 0.429 0.407 0.905 0.476 CA 1.531 22 residues pruned to eliminate duplicates Z: 18 8.957 2.027 0.173 0.303 0.765 0.588 CB 1.488 18 residues pruned to eliminate duplicates Z: 23 16.503 1.939 0.331 0.388 0.909 0.545 C 1.688 23 residues pruned to eliminate duplicates Z: 16 25.085 2.115 0.591 0.890 1.000 0.600 CA 1.385 16 residues pruned to eliminate duplicates Z: 21 19.460 1.861 0.618 0.854 0.900 0.800 CA 1.186 21 residues pruned to eliminate duplicates Z: 10 5.002 1.886 0.218 0.328 0.667 0.333 CA 1.315 Z: 6 3.064 1.760 0.059 0.425 0.800 0.400 CB 0.992 Z: 12 6.709 1.749 0.599 0.322 0.909 0.636 CB 0.968 12 residues pruned to eliminate duplicates Z: 15 7.031 1.865 0.074 0.328 0.929 0.357 CB 1.221 15 residues pruned to eliminate duplicates Z: 19 13.350 2.006 0.431 0.516 0.889 0.556 CB 1.215 19 residues pruned to eliminate duplicates Z: 22 9.451 1.745 0.302 0.334 0.810 0.524 CA 1.344 15 residues pruned to eliminate duplicates Z: 6 2.509 1.534 0.274 0.280 0.800 0.400 CB 0.921 Z: 32 42.162 2.252 0.830 0.694 0.968 0.613 CA 1.590 32 residues pruned to eliminate duplicates Z: 19 11.906 2.061 0.670 0.403 0.722 0.444 CB 1.251 19 residues pruned to eliminate duplicates Z: 10 8.805 1.871 0.592 0.365 0.778 0.667 CB 1.464 Z: 17 19.166 2.110 0.423 0.862 0.938 0.812 CB 1.249 17 residues pruned to eliminate duplicates Z: 13 18.096 1.840 0.888 0.748 0.917 0.667 CA 1.315 13 residues pruned to eliminate duplicates Z: 7 3.702 1.854 -0.088 0.250 0.833 0.500 N 1.429 7 residues pruned to eliminate duplicates Z: 16 26.708 2.149 0.738 0.848 0.933 0.733 CA 1.468 16 residues pruned to eliminate duplicates Z: 7 9.781 1.960 0.378 0.573 0.833 0.500 N 1.653 Z: 12 11.078 2.068 0.585 0.447 0.727 0.545 CA 1.479 12 residues pruned to eliminate duplicates Z: 24 31.154 2.026 0.725 0.840 0.913 0.652 CB 1.519 23 residues pruned to eliminate duplicates Z: 15 18.880 2.187 0.141 0.905 1.000 0.929 CB 1.440 15 residues pruned to eliminate duplicates Z: 7 5.793 1.605 0.660 0.483 0.833 0.333 C 1.083 Z: 13 18.648 2.071 0.393 0.843 1.000 0.583 CB 1.389 13 residues pruned to eliminate duplicates Z: 49 32.936 2.137 0.687 0.580 0.812 0.354 CB 1.503 49 residues pruned to eliminate duplicates Z: 8 14.004 2.165 0.265 0.851 1.000 0.571 CA 1.431 8 residues pruned to eliminate duplicates Z: 10 8.101 1.790 0.329 0.401 0.889 0.667 CB 1.417 10 residues pruned to eliminate duplicates Z: 15 10.932 2.029 0.244 0.442 0.929 0.643 CB 1.324 15 residues pruned to eliminate duplicates Z: 8 2.760 1.698 0.395 0.353 0.714 0.429 CB 0.723 8 residues pruned to eliminate duplicates Z: 21 36.409 2.254 0.664 0.907 1.000 0.850 CA 1.543 21 residues pruned to eliminate duplicates Z: 7 4.640 1.799 -0.235 0.573 0.833 0.333 CB 1.539 6 residues pruned to eliminate duplicates Z: 6 2.638 1.433 -0.245 0.617 1.000 0.600 C 0.976 Z: 8 2.929 1.983 0.626 0.366 0.714 0.429 CB 0.555 8 residues pruned to eliminate duplicates Z: 19 25.689 2.033 0.878 0.861 0.944 0.333 CA 1.234 19 residues pruned to eliminate duplicates Z: 11 3.860 1.547 0.274 0.328 0.700 0.500 CB 1.069 Z: 16 11.093 1.865 0.514 0.462 0.800 0.533 CB 1.319 16 residues pruned to eliminate duplicates Z: 13 10.481 2.105 0.212 0.583 0.917 0.583 CB 1.194 15 residues pruned to eliminate duplicates Z: 8 2.667 1.784 -0.003 0.367 0.571 0.286 CB 1.145 Z: 10 5.140 1.803 0.502 0.383 0.667 0.333 CB 1.075 10 residues pruned to eliminate duplicates Z: 22 45.276 2.198 0.998 0.924 1.000 0.762 CA 1.580 22 residues pruned to eliminate duplicates Z: 29 18.576 2.061 0.460 0.452 0.929 0.500 CB 1.320 29 residues pruned to eliminate duplicates Z: 14 9.211 1.885 0.239 0.389 0.923 0.462 CB 1.333 9 residues pruned to eliminate duplicates Z: 13 4.880 1.543 0.504 0.244 0.750 0.333 CB 1.088 Z: 6 6.746 1.858 0.306 0.559 0.800 0.400 CA 1.468 6 residues pruned to eliminate duplicates Z: 19 16.126 2.019 0.395 0.890 0.944 0.500 CA 1.027 19 residues pruned to eliminate duplicates Z: 14 14.908 1.950 0.423 0.804 0.846 0.538 CA 1.351 14 residues pruned to eliminate duplicates Z: 16 7.192 1.996 0.608 0.261 0.600 0.400 CB 1.268 16 residues pruned to eliminate duplicates Z: 20 27.895 2.028 0.876 0.899 1.000 0.526 CA 1.202 20 residues pruned to eliminate duplicates Z: 13 6.444 1.656 0.271 0.390 0.917 0.667 CB 1.083 13 residues pruned to eliminate duplicates Z: 15 13.610 2.003 0.446 0.407 0.857 0.643 CA 1.615 15 residues pruned to eliminate duplicates Z: 7 3.639 1.660 0.032 0.415 0.667 0.500 C 1.421 Z: 20 17.289 2.110 0.428 0.410 0.895 0.474 CB 1.618 20 residues pruned to eliminate duplicates Z: 63 37.340 2.040 0.640 0.569 0.919 0.500 CB 1.443 63 residues pruned to eliminate duplicates Z: 22 19.199 1.912 0.564 0.874 0.952 0.714 CA 1.071 22 residues pruned to eliminate duplicates Z: 80 42.930 2.091 0.506 0.551 0.911 0.582 CB 1.601 80 residues pruned to eliminate duplicates Z: 10 12.114 2.067 0.489 0.399 0.889 0.444 CB 1.642 10 residues pruned to eliminate duplicates Z: 10 5.036 1.814 -0.110 0.561 0.889 0.556 CB 1.103 Z: 10 9.813 1.920 0.474 0.469 0.778 0.556 CA 1.533 9 residues pruned to eliminate duplicates Z: 12 5.136 1.719 0.141 0.471 0.636 0.545 CB 1.278 10 residues pruned to eliminate duplicates Z: 18 13.978 1.985 0.095 0.451 0.941 0.588 CA 1.742 Z: 13 19.030 1.975 0.722 0.769 1.000 0.667 CB 1.273 13 residues pruned to eliminate duplicates Z: 12 12.438 2.046 0.211 0.557 0.909 0.636 N 1.576 12 residues pruned to eliminate duplicates Z: 15 8.739 2.032 0.024 0.488 0.929 0.571 CB 1.224 15 residues pruned to eliminate duplicates Z: 20 11.835 2.062 0.571 0.404 0.684 0.421 CB 1.356 19 residues pruned to eliminate duplicates Z: 7 8.979 1.497 0.472 0.842 1.000 0.667 O 1.239 7 residues pruned to eliminate duplicates Z: 61 42.058 2.212 0.550 0.534 0.950 0.467 CB 1.612 61 residues pruned to eliminate duplicates Z: 6 4.244 1.689 0.617 0.410 0.600 0.400 CA 1.273 6 residues pruned to eliminate duplicates Z: 6 5.353 1.716 0.940 0.402 0.800 0.600 N 0.997 Z: 72 42.655 2.183 0.653 0.519 0.873 0.479 CA 1.575 72 residues pruned to eliminate duplicates Z: 34 20.146 2.080 0.398 0.455 0.848 0.545 CA 1.489 34 residues pruned to eliminate duplicates Z: 14 21.074 2.138 0.757 0.818 0.769 0.462 CA 1.535 14 residues pruned to eliminate duplicates Z: 12 6.527 1.843 0.111 0.328 0.818 0.545 CB 1.418 12 residues pruned to eliminate duplicates Z: 22 41.171 2.204 0.851 0.894 0.952 0.667 CA 1.659 22 residues pruned to eliminate duplicates Z: 32 36.719 1.982 0.829 0.724 0.968 0.645 CB 1.536 25 residues pruned to eliminate duplicates Z: 24 12.020 1.848 0.167 0.415 0.913 0.522 CB 1.391 43 residues pruned to eliminate duplicates Z: 17 25.709 2.104 0.730 0.889 0.938 0.438 CB 1.356 17 residues pruned to eliminate duplicates Z: 71 52.459 2.239 0.719 0.564 0.957 0.429 CB 1.600 71 residues pruned to eliminate duplicates Z: 14 8.063 1.935 0.144 0.455 0.846 0.538 CA 1.249 14 residues pruned to eliminate duplicates Z: 19 11.940 1.909 0.554 0.351 0.833 0.444 CB 1.338 19 residues pruned to eliminate duplicates Z: 12 8.869 2.014 0.337 0.463 0.818 0.636 CA 1.260 12 residues pruned to eliminate duplicates Z: 10 8.100 1.724 0.434 0.528 0.778 0.556 CA 1.366 8 residues pruned to eliminate duplicates Z: 6 4.499 2.047 -0.162 0.615 0.800 0.600 CB 1.315 10 residues pruned to eliminate duplicates Z: 36 32.735 2.147 0.635 0.635 0.914 0.486 CA 1.519 36 residues pruned to eliminate duplicates Z: 14 10.144 1.859 0.473 0.361 0.923 0.615 CB 1.293 14 residues pruned to eliminate duplicates Z: 29 21.645 2.056 0.544 0.415 0.893 0.571 CA 1.577 29 residues pruned to eliminate duplicates Z: 13 6.214 1.823 0.194 0.377 0.917 0.417 CB 1.026 Z: 6 6.546 1.586 0.325 0.631 1.000 0.600 C 1.232 6 residues pruned to eliminate duplicates Z: 11 10.788 1.987 0.443 0.376 1.000 0.600 CA 1.357 11 residues pruned to eliminate duplicates Z: 6 2.157 1.429 0.174 0.298 0.800 0.400 CB 0.901 5 residues pruned to eliminate duplicates Z: 21 14.659 1.967 0.272 0.389 0.900 0.500 CB 1.637 18 residues pruned to eliminate duplicates Z: 20 34.162 2.027 0.618 0.914 1.000 0.842 CA 1.690 20 residues pruned to eliminate duplicates Z: 59 41.529 2.171 0.609 0.576 0.897 0.638 CB 1.618 59 residues pruned to eliminate duplicates Z: 6 3.195 1.224 0.791 0.704 0.800 0.800 C 0.677 6 residues pruned to eliminate duplicates Z: 11 9.630 1.726 0.282 0.690 0.900 0.500 CA 1.285 10 residues pruned to eliminate duplicates Z: 11 9.022 1.856 0.145 0.671 0.900 0.700 CB 1.274 11 residues pruned to eliminate duplicates Z: 34 32.224 2.070 0.705 0.669 0.939 0.576 CA 1.446 34 residues pruned to eliminate duplicates Z: 14 8.823 1.849 0.184 0.404 0.923 0.615 CB 1.340 14 residues pruned to eliminate duplicates Z: 6 3.221 1.624 0.258 0.468 0.800 0.600 CA 0.911 6 residues pruned to eliminate duplicates Z: 16 26.340 2.150 0.775 0.914 1.000 0.667 CB 1.260 16 residues pruned to eliminate duplicates 6 1.097 1.270 0.372 0.287 0.800 0.400 N 0.447 ? Z: 6 6.316 1.557 0.434 0.753 1.000 1.000 CA 1.010 6 residues pruned to eliminate duplicates Z: 10 10.628 1.847 0.307 0.854 0.889 0.667 CA 1.219 10 residues pruned to eliminate duplicates Z: 29 13.980 1.954 0.350 0.411 0.821 0.464 CB 1.338 30 residues pruned to eliminate duplicates Z: 8 5.124 1.690 0.065 0.546 1.000 0.571 CB 1.029 Z: 14 13.644 1.942 0.422 0.453 1.000 0.538 CB 1.438 14 residues pruned to eliminate duplicates Z: 23 14.326 2.049 0.373 0.447 0.909 0.500 CB 1.261 24 residues pruned to eliminate duplicates Z: 7 4.117 1.815 0.130 0.516 0.667 0.500 CB 1.211 7 residues pruned to eliminate duplicates Z: 41 21.325 2.022 0.611 0.509 0.825 0.425 CB 1.244 41 residues pruned to eliminate duplicates Z: 21 13.339 2.014 0.337 0.525 1.000 0.550 CB 1.081 21 residues pruned to eliminate duplicates Z: 11 10.435 1.997 0.638 0.373 1.000 0.700 CA 1.156 11 residues pruned to eliminate duplicates Z: 24 19.746 2.127 0.451 0.441 0.870 0.478 CB 1.631 25 residues pruned to eliminate duplicates Z: 16 9.481 1.915 0.252 0.326 0.933 0.533 CA 1.325 16 residues pruned to eliminate duplicates Z: 26 20.046 2.058 0.425 0.390 0.920 0.480 CB 1.670 26 residues pruned to eliminate duplicates Z: 6 3.913 1.732 0.169 0.674 0.600 0.400 CA 1.228 6 residues pruned to eliminate duplicates Z: 8 13.638 1.877 0.981 0.549 1.000 0.571 CA 1.321 8 residues pruned to eliminate duplicates Z: 6 2.252 1.728 -0.007 0.430 0.600 0.400 CB 1.052 Z: 20 41.623 2.264 0.853 0.898 0.947 0.842 CB 1.718 20 residues pruned to eliminate duplicates Z: 22 16.615 1.849 0.701 0.441 0.857 0.381 CA 1.429 22 residues pruned to eliminate duplicates Z: 26 12.838 1.959 0.380 0.402 0.840 0.560 CB 1.254 27 residues pruned to eliminate duplicates Z: 7 2.490 1.695 -0.065 0.247 0.833 0.333 CB 1.031 Z: 6 3.505 1.832 -0.094 0.382 0.800 0.600 N 1.338 Z: 6 4.580 1.696 -0.228 0.642 1.000 0.800 C 1.369 Z: 18 11.129 1.817 0.295 0.334 0.941 0.471 CA 1.461 18 residues pruned to eliminate duplicates Z: 17 10.314 2.047 0.298 0.278 0.812 0.375 CB 1.536 18 residues pruned to eliminate duplicates Z: 15 10.484 2.092 0.304 0.349 0.786 0.429 CA 1.540 12 residues pruned to eliminate duplicates Z: 11 9.275 2.044 0.437 0.874 0.900 0.600 CB 0.808 11 residues pruned to eliminate duplicates Z: 6 3.190 1.460 0.317 0.345 0.800 0.400 N 1.097 Z: 7 4.029 1.644 -0.094 0.585 0.833 0.500 CB 1.221 7 residues pruned to eliminate duplicates Z: 8 6.230 1.585 0.667 0.463 0.714 0.571 CA 1.295 Z: 21 13.340 1.990 0.218 0.413 0.850 0.450 CA 1.587 21 residues pruned to eliminate duplicates Z: 12 4.958 1.741 -0.031 0.331 0.818 0.364 CB 1.304 12 residues pruned to eliminate duplicates Z: 21 22.851 2.197 0.790 0.638 0.900 0.700 CA 1.268 21 residues pruned to eliminate duplicates Z: 64 40.694 2.184 0.527 0.531 0.937 0.619 CA 1.592 64 residues pruned to eliminate duplicates Z: 7 5.313 1.525 0.746 0.565 0.667 0.667 CB 1.147 7 residues pruned to eliminate duplicates Z: 7 6.331 1.844 0.112 0.458 1.000 0.667 CA 1.316 7 residues pruned to eliminate duplicates Z: 20 37.631 2.246 0.842 0.921 1.000 0.895 CB 1.468 20 residues pruned to eliminate duplicates Z: 7 2.796 1.197 0.446 0.722 0.833 0.667 CB 0.648 Z: 21 12.591 1.886 0.527 0.380 0.850 0.350 CA 1.307 21 residues pruned to eliminate duplicates Z: 59 39.743 2.171 0.648 0.554 0.897 0.534 CB 1.544 59 residues pruned to eliminate duplicates Z: 40 26.693 2.076 0.336 0.617 0.974 0.513 CA 1.416 40 residues pruned to eliminate duplicates Z: 6 3.003 1.463 0.220 0.461 0.800 0.600 CA 0.979 6 residues pruned to eliminate duplicates Z: 8 4.048 1.574 0.631 0.208 0.714 0.571 CB 1.179 Z: 13 11.304 2.149 0.421 0.450 0.833 0.500 CB 1.349 13 residues pruned to eliminate duplicates Z: 24 11.813 1.856 0.193 0.339 0.913 0.348 CB 1.452 24 residues pruned to eliminate duplicates Z: 7 4.167 1.604 0.449 0.312 0.833 0.333 CB 1.082 Z: 17 22.191 2.165 0.504 0.600 0.938 0.812 CA 1.652 17 residues pruned to eliminate duplicates Z: 7 10.258 1.669 0.917 0.742 1.000 0.667 CA 1.054 Z: 6 5.091 1.359 0.464 0.827 1.000 1.000 N 0.862 6 residues pruned to eliminate duplicates Z: 7 4.423 1.838 -0.097 0.420 1.000 0.333 N 1.182 7 residues pruned to eliminate duplicates Z: 19 12.861 1.948 0.199 0.399 0.889 0.500 CA 1.624 19 residues pruned to eliminate duplicates Z: 12 13.778 1.917 0.493 0.498 1.000 0.727 CA 1.455 13 residues pruned to eliminate duplicates Z: 10 10.976 1.870 0.913 0.891 1.000 0.778 CB 0.735 10 residues pruned to eliminate duplicates Z: 7 6.638 1.803 0.366 0.678 1.000 0.667 CB 0.934 Z: 44 41.287 2.209 0.632 0.642 0.953 0.628 CB 1.604 44 residues pruned to eliminate duplicates Z: 8 3.545 1.916 0.123 0.133 0.714 0.429 CA 1.377 8 residues pruned to eliminate duplicates Z: 6 2.279 1.582 0.395 0.482 0.600 0.600 CB 0.783 Z: 30 21.888 1.976 0.298 0.659 0.931 0.517 CB 1.469 30 residues pruned to eliminate duplicates 6 1.567 1.308 0.524 0.289 0.600 0.400 CB 0.742 ? Z: 13 10.293 2.002 0.454 0.399 0.833 0.500 CB 1.362 12 residues pruned to eliminate duplicates Z: 45 25.315 2.007 0.477 0.574 0.932 0.614 CA 1.286 45 residues pruned to eliminate duplicates Z: 9 4.041 1.494 0.223 0.371 0.875 0.500 CB 1.026 Z: 40 25.292 2.013 0.476 0.542 0.949 0.538 CA 1.378 40 residues pruned to eliminate duplicates Z: 9 2.197 1.521 -0.084 0.342 0.875 0.625 CA 0.757 9 residues pruned to eliminate duplicates 6 1.634 1.678 0.114 0.312 0.400 0.400 CB 1.204 ? Z: 21 11.996 1.903 0.367 0.382 0.900 0.550 CB 1.299 21 residues pruned to eliminate duplicates Z: 14 9.252 1.873 0.140 0.449 1.000 0.692 CB 1.266 15 residues pruned to eliminate duplicates Z: 26 22.807 2.239 0.579 0.333 0.920 0.480 CA 1.683 26 residues pruned to eliminate duplicates Z: 17 7.355 1.832 0.383 0.214 0.750 0.500 CB 1.356 12 residues pruned to eliminate duplicates Z: 13 7.896 1.898 0.146 0.360 0.917 0.583 CA 1.329 13 residues pruned to eliminate duplicates Z: 12 12.402 1.851 0.706 0.441 0.818 0.545 N 1.539 12 residues pruned to eliminate duplicates Z: 22 24.898 1.944 0.656 0.839 0.952 0.714 CA 1.324 22 residues pruned to eliminate duplicates Z: 7 2.635 1.553 0.159 0.483 0.667 0.500 CB 0.912 7 residues pruned to eliminate duplicates Z: 20 11.637 2.045 0.408 0.401 0.842 0.474 CB 1.221 20 residues pruned to eliminate duplicates Z: 15 12.365 1.869 0.507 0.514 0.857 0.786 CA 1.350 15 residues pruned to eliminate duplicates Z: 26 17.337 2.067 0.379 0.442 0.880 0.480 CA 1.468 26 residues pruned to eliminate duplicates Z: 46 38.620 2.170 0.533 0.643 0.956 0.733 CA 1.584 46 residues pruned to eliminate duplicates Z: 11 6.633 1.689 0.448 0.552 0.700 0.600 N 1.165 5 residues pruned to eliminate duplicates Z: 13 17.384 1.918 0.690 0.878 1.000 0.750 CB 1.123 13 residues pruned to eliminate duplicates Z: 13 12.556 1.833 0.287 0.801 0.917 0.750 CA 1.288 13 residues pruned to eliminate duplicates Z: 16 4.443 1.439 0.386 0.220 0.733 0.400 CB 1.090 Z: 25 12.543 1.699 0.503 0.477 0.833 0.417 CB 1.231 25 residues pruned to eliminate duplicates Z: 10 4.980 1.698 0.032 0.344 0.889 0.444 CA 1.262 10 residues pruned to eliminate duplicates Z: 9 2.782 1.581 0.166 0.296 0.500 0.500 N 1.340 Z: 14 8.589 1.793 0.479 0.339 0.923 0.538 CA 1.160 4 residues pruned to eliminate duplicates Z: 6 5.314 1.770 0.739 0.727 0.800 0.800 CB 0.787 Z: 26 16.361 1.955 0.593 0.458 0.840 0.640 CA 1.305 26 residues pruned to eliminate duplicates Z: 17 13.132 1.963 0.505 0.338 1.000 0.375 CB 1.325 17 residues pruned to eliminate duplicates Z: 19 21.508 2.072 0.489 0.922 1.000 0.833 CA 1.156 19 residues pruned to eliminate duplicates Z: 13 6.304 1.656 0.331 0.328 0.917 0.417 CB 1.088 13 residues pruned to eliminate duplicates Z: 9 9.589 1.950 0.360 0.438 0.875 0.625 CB 1.557 9 residues pruned to eliminate duplicates Z: 8 2.404 1.545 0.302 0.213 0.571 0.571 CB 1.108 Z: 11 3.008 1.420 0.437 0.339 0.700 0.400 N 0.794 11 residues pruned to eliminate duplicates Z: 7 2.843 1.802 0.069 0.340 0.500 0.333 CB 1.435 6 residues pruned to eliminate duplicates Z: 9 3.538 1.423 0.160 0.482 0.750 0.500 CB 1.030 9 residues pruned to eliminate duplicates Z: 26 17.700 1.985 0.442 0.388 0.920 0.440 N 1.514 26 residues pruned to eliminate duplicates 6 1.673 1.065 0.210 0.512 1.000 0.600 CB 0.574 ? Z: 18 12.015 2.038 0.601 0.413 0.765 0.529 CB 1.279 18 residues pruned to eliminate duplicates Z: 18 13.041 1.943 0.208 0.418 0.941 0.647 CB 1.559 18 residues pruned to eliminate duplicates Z: 24 12.753 1.905 0.130 0.315 0.913 0.478 N 1.659 21 residues pruned to eliminate duplicates Z: 16 12.462 2.005 0.439 0.354 0.933 0.600 CB 1.398 16 residues pruned to eliminate duplicates Z: 14 9.878 1.971 0.261 0.407 0.846 0.462 CA 1.436 13 residues pruned to eliminate duplicates Z: 6 2.657 1.952 0.499 0.232 0.800 0.600 CB 0.693 6 residues pruned to eliminate duplicates Z: 19 39.791 2.310 0.685 0.908 1.000 0.611 CA 1.712 19 residues pruned to eliminate duplicates Z: 10 16.469 2.034 0.542 0.881 0.889 0.778 CA 1.426 10 residues pruned to eliminate duplicates 6 1.354 1.540 -0.215 0.399 0.800 0.600 CA 0.697 ? Z: 8 6.409 1.940 0.366 0.413 0.714 0.714 CB 1.402 8 residues pruned to eliminate duplicates Z: 6 10.704 1.841 0.420 0.818 1.000 0.800 CA 1.390 6 residues pruned to eliminate duplicates Z: 19 15.866 2.145 0.369 0.352 0.944 0.444 CB 1.583 19 residues pruned to eliminate duplicates Z: 6 3.589 1.678 0.326 0.276 0.800 0.600 CB 1.162 Z: 20 14.004 1.943 0.540 0.404 0.842 0.579 CA 1.411 20 residues pruned to eliminate duplicates Z: 10 13.629 1.949 0.071 0.904 1.000 0.778 CB 1.549 10 residues pruned to eliminate duplicates Z: 6 3.874 1.742 0.222 0.597 0.800 0.600 CB 0.927 6 residues pruned to eliminate duplicates Z: 13 9.929 1.978 0.101 0.394 1.000 0.583 CB 1.473 13 residues pruned to eliminate duplicates 6 1.447 1.525 0.102 0.299 0.600 0.600 CB 0.803 ? Z: 18 9.346 1.705 0.547 0.547 0.824 0.588 CB 0.996 18 residues pruned to eliminate duplicates Z: 17 24.419 2.185 0.750 0.881 0.938 0.750 CB 1.233 17 residues pruned to eliminate duplicates Z: 11 10.729 1.905 0.220 0.535 0.900 0.400 CB 1.568 11 residues pruned to eliminate duplicates Z: 8 4.792 1.769 -0.196 0.476 0.857 0.714 CA 1.523 Z: 11 9.300 1.790 0.545 0.411 0.900 0.600 CB 1.296 11 residues pruned to eliminate duplicates Z: 71 29.572 1.976 0.547 0.455 0.871 0.514 CA 1.390 71 residues pruned to eliminate duplicates Z: 22 24.161 1.895 0.679 0.810 0.952 0.667 CA 1.328 22 residues pruned to eliminate duplicates Z: 6 4.730 1.602 0.518 0.656 0.800 0.400 CA 0.940 6 residues pruned to eliminate duplicates Z: 6 4.058 1.846 0.148 0.473 1.000 0.600 CB 0.880 Z: 10 8.171 1.742 0.494 0.475 0.778 0.444 CA 1.380 10 residues pruned to eliminate duplicates Z: 22 25.792 1.970 0.381 0.873 1.000 0.857 CA 1.507 22 residues pruned to eliminate duplicates Z: 12 5.273 1.556 -0.004 0.432 0.909 0.727 C 1.211 Z: 7 2.506 1.859 -0.166 0.414 0.833 0.500 CB 0.866 7 residues pruned to eliminate duplicates Z: 17 12.999 1.982 0.252 0.367 0.938 0.500 CA 1.612 17 residues pruned to eliminate duplicates Z: 11 3.190 1.679 -0.034 0.202 0.700 0.500 CA 1.266 11 residues pruned to eliminate duplicates Z: 24 11.206 1.700 0.650 0.262 0.870 0.391 CB 1.258 24 residues pruned to eliminate duplicates 6 1.994 1.126 0.392 0.296 0.800 0.400 CB 0.893 ? Z: 8 5.129 1.874 0.464 0.508 0.857 0.429 CB 0.818 6 residues pruned to eliminate duplicates Z: 21 19.054 2.038 0.280 0.643 0.900 0.800 CA 1.587 21 residues pruned to eliminate duplicates Z: 11 2.716 1.422 0.401 0.318 0.800 0.400 N 0.659 Z: 6 2.284 1.222 0.482 0.763 1.000 0.600 N 0.447 Z: 34 25.570 2.023 0.628 0.653 0.970 0.515 CA 1.209 34 residues pruned to eliminate duplicates Z: 9 8.604 1.820 0.228 0.679 1.000 0.625 N 1.154 18 residues pruned to eliminate duplicates Z: 7 2.772 1.362 0.402 0.300 1.000 0.500 N 0.741 Z: 6 3.189 1.616 0.551 0.419 0.600 0.600 CB 1.033 Z: 8 2.402 1.248 0.278 0.211 0.857 0.429 N 0.934 Z: 9 3.492 1.570 0.029 0.415 0.750 0.250 CB 1.114 Z: 18 12.320 2.027 0.099 0.535 0.824 0.471 CB 1.574 18 residues pruned to eliminate duplicates Z: 15 8.906 1.984 0.226 0.486 0.786 0.571 CB 1.263 15 residues pruned to eliminate duplicates Z: 8 2.114 1.471 -0.118 0.299 0.857 0.429 CB 0.900 Z: 7 3.391 1.502 0.516 0.365 0.667 0.333 CB 1.055 Z: 16 7.212 1.723 0.260 0.348 0.867 0.533 CB 1.167 16 residues pruned to eliminate duplicates Z: 21 39.302 2.278 0.728 0.904 1.000 0.600 CB 1.590 21 residues pruned to eliminate duplicates Z: 22 10.257 1.725 0.219 0.413 0.952 0.429 N 1.224 17 residues pruned to eliminate duplicates Z: 38 18.009 1.967 0.447 0.398 0.865 0.486 CB 1.339 38 residues pruned to eliminate duplicates Z: 15 18.920 2.161 0.578 0.861 1.000 0.643 CB 1.089 15 residues pruned to eliminate duplicates Z: 9 3.944 1.643 0.329 0.342 0.750 0.750 CB 1.012 9 residues pruned to eliminate duplicates Z: 6 2.534 1.372 0.602 0.407 0.600 0.400 C 0.947 Z: 7 4.523 1.555 0.535 0.506 0.667 0.667 CB 1.153 Z: 12 11.434 1.932 0.006 0.549 1.000 0.636 CB 1.690 12 residues pruned to eliminate duplicates Z: 27 16.196 1.985 0.449 0.430 0.962 0.615 CA 1.236 27 residues pruned to eliminate duplicates Z: 7 4.527 1.611 0.126 0.662 0.833 0.833 CA 1.052 4 residues pruned to eliminate duplicates Z: 7 6.054 1.316 0.350 0.867 1.000 0.833 CB 1.017 3 residues pruned to eliminate duplicates Z: 12 13.638 2.089 0.378 0.612 0.818 0.455 CB 1.571 12 residues pruned to eliminate duplicates Z: 11 7.494 1.809 0.116 0.456 1.000 0.900 CA 1.228 11 residues pruned to eliminate duplicates Z: 55 35.917 2.166 0.480 0.558 0.926 0.537 CB 1.556 55 residues pruned to eliminate duplicates Z: 39 19.421 1.934 0.518 0.591 0.816 0.368 CB 1.206 39 residues pruned to eliminate duplicates 6 1.954 1.222 -0.023 0.489 0.800 0.800 O 0.925 ? Z: 20 21.980 1.979 0.764 0.866 0.947 0.632 CA 1.116 20 residues pruned to eliminate duplicates Z: 7 18.572 2.197 0.696 0.607 1.000 0.833 CB 1.837 9 residues pruned to eliminate duplicates Z: 18 11.723 1.797 0.469 0.511 0.824 0.588 CB 1.294 18 residues pruned to eliminate duplicates Z: 20 18.457 2.098 0.322 0.529 0.895 0.579 CB 1.659 20 residues pruned to eliminate duplicates Z: 14 9.595 1.859 0.363 0.346 0.923 0.615 CB 1.344 14 residues pruned to eliminate duplicates Z: 9 5.629 1.593 0.578 0.427 0.875 0.375 CB 0.976 6 0.744 1.340 0.098 0.439 0.600 0.400 CB 0.401 ? Z: 17 11.898 1.679 0.580 0.415 0.938 0.375 CA 1.307 17 residues pruned to eliminate duplicates Z: 7 2.649 1.392 0.197 0.361 0.833 0.500 O 0.904 7 1.993 1.493 0.248 0.194 0.833 0.667 N 0.755 ? Z: 7 2.805 1.351 0.524 0.230 0.667 0.167 CB 1.144 Z: 10 5.334 1.771 -0.027 0.570 0.778 0.556 CB 1.239 10 residues pruned to eliminate duplicates 6 1.917 1.552 0.335 0.483 0.600 0.400 CA 0.702 ? Z: 47 24.212 1.991 0.481 0.529 0.783 0.522 CB 1.504 47 residues pruned to eliminate duplicates Z: 11 5.671 1.846 0.236 0.437 0.700 0.500 CB 1.198 11 residues pruned to eliminate duplicates Z: 9 2.283 1.436 0.422 0.246 0.625 0.250 CB 0.848 6 1.842 1.516 0.071 0.690 0.800 0.400 N 0.533 ? Z: 11 5.109 1.801 0.373 0.548 0.800 0.600 CB 0.779 Z: 16 11.895 1.875 0.057 0.427 1.000 0.600 CA 1.672 16 residues pruned to eliminate duplicates Z: 11 4.198 1.545 0.541 0.183 0.700 0.500 CA 1.166 6 1.820 1.976 0.302 0.289 0.800 0.400 CA 0.502 ? Z: 13 20.415 1.985 0.880 0.870 0.750 0.500 CA 1.537 13 residues pruned to eliminate duplicates Z: 6 4.331 1.301 1.052 0.477 0.800 0.800 C 0.928 Z: 14 13.508 1.906 0.776 0.340 0.846 0.462 C 1.558 14 residues pruned to eliminate duplicates Z: 7 3.614 1.647 0.409 0.362 0.833 0.333 CB 0.885 Z: 26 19.384 1.962 0.160 0.710 0.920 0.800 CB 1.530 26 residues pruned to eliminate duplicates Z: 7 3.828 1.528 0.189 0.394 0.833 0.333 CB 1.155 Z: 20 12.502 1.913 0.143 0.371 0.947 0.526 CA 1.589 20 residues pruned to eliminate duplicates Z: 16 24.708 2.193 0.776 0.894 1.000 0.533 CB 1.176 16 residues pruned to eliminate duplicates 6 1.583 1.689 -0.117 0.149 0.800 0.600 CB 0.914 ? Z: 6 2.015 1.374 0.102 0.320 0.800 0.400 N 0.907 Z: 14 10.071 2.010 0.211 0.349 0.923 0.538 CA 1.464 14 residues pruned to eliminate duplicates Z: 6 4.915 1.728 -0.094 0.553 1.000 0.600 N 1.333 6 residues pruned to eliminate duplicates Z: 10 11.968 2.040 0.570 0.745 1.000 0.667 CB 1.000 10 residues pruned to eliminate duplicates Z: 32 19.186 2.003 0.469 0.683 0.774 0.355 CB 1.279 32 residues pruned to eliminate duplicates Z: 6 4.130 1.751 0.008 0.613 0.800 0.800 CB 1.175 5 residues pruned to eliminate duplicates Z: 6 2.054 1.308 0.096 0.374 0.800 0.400 CA 0.917 6 1.839 1.412 0.299 0.502 0.800 0.800 CB 0.560 ? Z: 16 26.400 2.176 0.753 0.918 0.933 0.733 CB 1.350 16 residues pruned to eliminate duplicates Z: 10 5.625 1.748 0.235 0.297 1.000 0.444 CB 1.090 10 residues pruned to eliminate duplicates Z: 16 7.210 1.754 0.123 0.377 0.867 0.467 CB 1.244 16 residues pruned to eliminate duplicates Z: 19 17.079 1.969 0.643 0.482 0.889 0.556 CB 1.426 19 residues pruned to eliminate duplicates Z: 24 14.917 1.963 0.474 0.439 0.826 0.565 CB 1.386 24 residues pruned to eliminate duplicates Z: 8 2.943 1.533 -0.020 0.200 0.857 0.571 CA 1.234 8 residues pruned to eliminate duplicates Z: 12 4.920 1.646 0.382 0.374 0.727 0.364 N 1.026 12 residues pruned to eliminate duplicates 8 1.831 1.165 0.006 0.558 0.714 0.571 N 0.782 ? Z: 27 16.835 2.056 0.455 0.415 0.808 0.577 CA 1.494 27 residues pruned to eliminate duplicates Z: 21 13.141 1.975 0.383 0.401 0.850 0.500 CA 1.404 21 residues pruned to eliminate duplicates Z: 8 12.089 1.982 0.283 0.832 0.857 0.714 CA 1.574 8 residues pruned to eliminate duplicates Z: 10 8.428 1.763 0.571 0.747 0.667 0.444 CA 1.220 10 residues pruned to eliminate duplicates Z: 6 2.589 1.454 0.439 0.121 0.800 0.200 CB 1.114 Z: 35 39.497 2.184 0.770 0.757 0.941 0.412 CB 1.482 35 residues pruned to eliminate duplicates Z: 24 13.589 1.974 0.314 0.471 0.826 0.435 CA 1.362 24 residues pruned to eliminate duplicates Z: 22 8.671 1.756 0.185 0.323 0.810 0.381 CA 1.364 22 residues pruned to eliminate duplicates Z: 7 3.641 1.539 0.505 0.461 0.833 0.333 CB 0.802 Z: 6 3.321 1.394 0.543 0.435 0.600 0.400 N 1.231 Z: 15 21.052 2.199 0.526 0.554 1.000 0.857 CA 1.591 15 residues pruned to eliminate duplicates Z: 7 4.710 1.277 0.618 0.612 0.833 0.500 N 1.004 Z: 14 10.428 1.957 0.488 0.238 1.000 0.615 CA 1.347 14 residues pruned to eliminate duplicates Z: 35 37.252 2.248 0.693 0.636 0.971 0.559 CA 1.523 35 residues pruned to eliminate duplicates Z: 6 3.258 1.506 0.285 0.437 0.800 0.600 CB 1.004 Z: 12 10.751 2.164 0.191 0.484 0.818 0.545 CA 1.562 12 residues pruned to eliminate duplicates Z: 6 3.152 1.610 0.113 0.290 0.800 0.400 CA 1.245 Z: 8 6.495 1.526 0.440 0.418 1.000 0.714 CB 1.217 Z: 13 5.592 1.659 0.370 0.266 0.833 0.417 N 1.113 10 residues pruned to eliminate duplicates Z: 7 2.625 1.248 0.723 0.248 0.667 0.333 N 0.999 Z: 7 2.861 1.350 0.253 0.306 0.833 0.500 CB 1.028 Z: 27 14.573 1.845 0.448 0.561 0.808 0.577 CA 1.249 27 residues pruned to eliminate duplicates Z: 13 7.513 1.942 0.212 0.344 0.917 0.500 CB 1.191 13 residues pruned to eliminate duplicates 6 1.396 1.055 0.513 0.415 0.600 0.600 C 0.712 ? Z: 9 9.481 1.880 0.885 0.437 0.875 0.500 CA 1.153 9 residues pruned to eliminate duplicates Z: 6 2.331 1.229 0.573 0.421 0.600 0.400 C 0.976 Z: 6 3.542 1.601 0.267 0.277 0.800 0.600 N 1.256 Z: 7 3.085 1.247 0.523 0.415 1.000 0.500 CA 0.725 Z: 21 9.494 1.797 0.204 0.286 0.950 0.450 CA 1.313 16 residues pruned to eliminate duplicates 8 1.321 1.159 0.277 0.204 0.571 0.143 CA 0.839 ? Z: 19 18.441 2.055 0.637 0.400 0.889 0.556 CA 1.615 19 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds 6 1.579 1.187 0.427 0.174 0.800 0.200 C 0.773 ? Z: 6 5.030 1.507 0.698 0.347 1.000 0.400 CA 1.038 6 residues pruned to eliminate duplicates Z: 6 8.567 1.716 0.726 0.414 1.000 0.800 CA 1.415 6 residues pruned to eliminate duplicates Z: 19 12.550 2.099 0.554 0.442 0.722 0.444 CB 1.333 19 residues pruned to eliminate duplicates 6 1.910 1.674 0.198 0.100 0.600 0.200 CA 1.182 ? Z: 6 3.156 1.446 0.704 0.298 0.600 0.000 C 1.195 6 residues pruned to eliminate duplicates Z: 10 5.712 1.812 0.133 0.346 0.778 0.222 CA 1.411 10 residues pruned to eliminate duplicates Z: 10 5.771 1.821 0.237 0.399 0.667 0.222 N 1.425 10 residues pruned to eliminate duplicates Z: 15 7.836 1.942 0.232 0.278 0.786 0.429 CB 1.432 15 residues pruned to eliminate duplicates Z: 16 6.986 1.900 0.336 0.238 0.733 0.533 CB 1.313 16 residues pruned to eliminate duplicates Z: 14 7.423 1.963 0.338 0.277 0.769 0.385 CB 1.312 14 residues pruned to eliminate duplicates Z: 16 7.060 1.860 0.160 0.255 0.933 0.400 CB 1.198 16 residues pruned to eliminate duplicates Z: 15 7.735 1.862 0.255 0.333 0.857 0.357 CB 1.240 15 residues pruned to eliminate duplicates Z: 17 7.557 1.826 0.335 0.311 0.750 0.438 CB 1.275 17 residues pruned to eliminate duplicates Z: 14 9.109 1.939 0.357 0.362 0.846 0.462 CB 1.316 15 residues pruned to eliminate duplicates Z: 6 4.931 1.779 0.492 0.461 0.800 0.600 CB 1.080 6 residues pruned to eliminate duplicates Z: 22 16.549 2.092 0.426 0.466 0.952 0.571 CB 1.315 22 residues pruned to eliminate duplicates Z: 22 15.739 2.052 0.453 0.507 0.905 0.571 CB 1.265 22 residues pruned to eliminate duplicates Z: 22 17.945 2.103 0.545 0.506 0.905 0.619 CB 1.325 22 residues pruned to eliminate duplicates Z: 6 5.379 1.671 0.419 0.244 1.000 0.000 CA 1.365 6 residues pruned to eliminate duplicates Z: 25 11.523 1.953 0.367 0.436 0.833 0.583 CB 1.129 25 residues pruned to eliminate duplicates Z: 23 13.573 1.981 0.561 0.444 0.818 0.500 CB 1.211 23 residues pruned to eliminate duplicates Z: 23 17.411 2.055 0.439 0.498 0.955 0.500 CB 1.317 23 residues pruned to eliminate duplicates Z: 13 11.050 2.024 0.311 0.529 0.917 0.500 CA 1.274 13 residues pruned to eliminate duplicates Z: 22 14.718 2.058 0.482 0.488 0.905 0.619 CB 1.179 22 residues pruned to eliminate duplicates Z: 7 5.235 1.563 0.367 0.294 1.000 0.333 C 1.260 7 residues pruned to eliminate duplicates Z: 18 14.937 2.039 0.204 0.402 0.941 0.471 CB 1.738 18 residues pruned to eliminate duplicates Z: 20 13.133 1.960 0.210 0.370 0.947 0.368 CB 1.542 20 residues pruned to eliminate duplicates Z: 23 13.456 1.952 0.214 0.376 0.864 0.364 CB 1.600 23 residues pruned to eliminate duplicates Z: 19 14.428 2.012 0.284 0.383 0.889 0.500 CB 1.678 19 residues pruned to eliminate duplicates Z: 22 11.746 1.966 0.079 0.302 0.905 0.381 CB 1.664 22 residues pruned to eliminate duplicates Z: 21 13.486 1.859 0.369 0.385 0.950 0.550 CB 1.409 21 residues pruned to eliminate duplicates Z: 19 11.069 2.003 0.179 0.263 0.889 0.444 CB 1.630 19 residues pruned to eliminate duplicates Z: 34 14.090 1.875 0.264 0.330 0.909 0.485 CB 1.371 34 residues pruned to eliminate duplicates Z: 21 12.356 1.958 0.274 0.335 0.900 0.350 CB 1.474 21 residues pruned to eliminate duplicates Z: 19 11.588 1.944 0.309 0.334 0.833 0.556 CA 1.544 19 residues pruned to eliminate duplicates Z: 20 11.284 1.983 0.224 0.338 0.842 0.368 CB 1.512 20 residues pruned to eliminate duplicates Z: 21 12.873 1.946 0.305 0.313 0.900 0.300 CB 1.549 21 residues pruned to eliminate duplicates Z: 20 12.293 2.005 0.284 0.315 0.895 0.263 CB 1.503 20 residues pruned to eliminate duplicates Z: 9 9.904 1.972 0.586 0.475 0.875 0.375 CB 1.313 8 residues pruned to eliminate duplicates Z: 8 7.628 1.902 0.325 0.490 0.714 0.286 CB 1.618 9 residues pruned to eliminate duplicates Z: 8 8.258 1.770 0.244 0.471 1.000 0.143 CB 1.461 8 residues pruned to eliminate duplicates Z: 9 8.960 1.983 0.463 0.487 0.875 0.250 CB 1.265 9 residues pruned to eliminate duplicates Z: 6 8.674 1.726 0.956 0.733 0.800 0.600 CB 1.165 6 residues pruned to eliminate duplicates Z: 7 4.725 1.806 0.558 0.557 0.500 0.500 N 1.297 5 residues pruned to eliminate duplicates Z: 6 6.027 1.890 0.932 0.626 0.600 0.200 CA 1.092 6 residues pruned to eliminate duplicates Z: 9 5.172 1.829 0.590 0.381 0.875 0.125 CB 0.815 9 residues pruned to eliminate duplicates Z: 12 10.612 1.852 0.692 0.643 0.818 0.273 CB 1.092 8 residues pruned to eliminate duplicates Z: 6 5.413 1.826 0.348 0.425 1.000 0.600 CA 1.064 6 residues pruned to eliminate duplicates Z: 14 12.200 1.858 0.469 0.507 0.923 0.615 CB 1.334 14 residues pruned to eliminate duplicates Z: 14 12.617 1.914 0.329 0.521 1.000 0.615 CB 1.347 14 residues pruned to eliminate duplicates Z: 16 11.308 1.798 0.448 0.460 0.933 0.533 CB 1.251 16 residues pruned to eliminate duplicates Z: 14 10.653 1.913 0.360 0.414 0.923 0.769 N 1.345 14 residues pruned to eliminate duplicates Z: 13 9.816 1.783 0.415 0.422 0.917 0.667 CB 1.328 13 residues pruned to eliminate duplicates Z: 15 10.420 1.875 0.383 0.423 0.857 0.571 CB 1.358 15 residues pruned to eliminate duplicates Z: 17 9.233 1.807 0.267 0.418 0.938 0.750 CB 1.172 17 residues pruned to eliminate duplicates Z: 16 10.458 1.851 0.370 0.406 0.933 0.667 CB 1.259 16 residues pruned to eliminate duplicates Z: 11 6.015 1.716 0.116 0.387 0.900 0.600 CB 1.244 7 residues pruned to eliminate duplicates Z: 7 4.086 1.777 0.163 0.240 0.667 0.500 C 1.636 7 residues pruned to eliminate duplicates Z: 17 18.524 2.101 0.574 0.380 1.000 0.562 CA 1.591 22 residues pruned to eliminate duplicates Z: 8 9.016 1.763 0.836 0.355 0.857 0.286 CB 1.437 8 residues pruned to eliminate duplicates Z: 17 12.789 2.065 0.360 0.347 0.938 0.500 CA 1.433 17 residues pruned to eliminate duplicates Z: 25 17.507 2.031 0.390 0.437 0.875 0.625 CB 1.543 25 residues pruned to eliminate duplicates Z: 25 18.274 2.111 0.358 0.423 0.958 0.542 CA 1.470 25 residues pruned to eliminate duplicates Z: 35 23.914 2.109 0.501 0.461 0.882 0.618 CB 1.528 35 residues pruned to eliminate duplicates Z: 26 23.727 2.073 0.589 0.434 0.960 0.440 CA 1.607 26 residues pruned to eliminate duplicates Z: 38 24.787 2.135 0.422 0.465 0.892 0.568 CA 1.560 38 residues pruned to eliminate duplicates Z: 16 18.535 2.157 0.529 0.350 1.000 0.467 CA 1.707 16 residues pruned to eliminate duplicates Z: 8 4.656 1.714 0.219 0.449 1.000 0.429 CB 0.887 8 residues pruned to eliminate duplicates Z: 16 17.372 2.224 0.499 0.398 0.867 0.600 CB 1.728 16 residues pruned to eliminate duplicates Z: 24 22.183 2.143 0.522 0.445 1.000 0.565 CA 1.501 24 residues pruned to eliminate duplicates Z: 40 19.625 2.044 0.249 0.455 0.846 0.590 CA 1.522 40 residues pruned to eliminate duplicates Z: 37 27.297 2.135 0.460 0.512 0.944 0.583 CA 1.526 38 residues pruned to eliminate duplicates Z: 7 6.516 1.755 0.555 0.558 0.667 0.333 O 1.382 7 residues pruned to eliminate duplicates Z: 39 24.561 2.108 0.425 0.467 0.921 0.526 CB 1.488 39 residues pruned to eliminate duplicates Z: 36 26.127 2.149 0.475 0.481 0.886 0.629 CB 1.603 36 residues pruned to eliminate duplicates Z: 25 17.259 2.106 0.430 0.425 0.792 0.542 CA 1.597 24 residues pruned to eliminate duplicates Z: 6 4.182 1.871 0.061 0.369 1.000 0.400 CA 1.084 6 residues pruned to eliminate duplicates Z: 39 21.225 2.097 0.358 0.421 0.842 0.526 CB 1.560 39 residues pruned to eliminate duplicates Z: 38 25.256 2.147 0.461 0.465 0.865 0.730 CB 1.587 38 residues pruned to eliminate duplicates Z: 37 23.137 2.106 0.329 0.472 0.917 0.500 CA 1.547 36 residues pruned to eliminate duplicates Z: 6 6.475 1.855 0.794 0.427 1.000 0.600 CA 0.939 6 residues pruned to eliminate duplicates Z: 22 13.935 2.008 0.288 0.487 0.857 0.571 CB 1.389 21 residues pruned to eliminate duplicates Z: 6 5.981 1.698 0.430 0.475 0.800 0.600 C 1.412 Z: 13 12.414 2.159 0.186 0.629 0.833 0.500 CB 1.487 19 residues pruned to eliminate duplicates Z: 12 20.835 2.191 0.739 0.658 0.909 0.636 CB 1.566 12 residues pruned to eliminate duplicates Z: 14 17.083 2.142 0.501 0.638 1.000 0.615 CB 1.295 14 residues pruned to eliminate duplicates Z: 9 12.879 1.850 0.595 0.766 0.875 0.125 CB 1.393 Z: 9 10.376 1.703 0.589 0.790 0.750 0.125 CB 1.401 9 residues pruned to eliminate duplicates Z: 6 4.470 1.726 0.304 0.767 0.600 0.200 CA 1.168 6 residues pruned to eliminate duplicates Z: 6 8.353 1.839 0.297 0.792 0.800 0.200 CB 1.516 6 residues pruned to eliminate duplicates Z: 6 4.985 1.689 0.233 0.439 1.000 0.400 CA 1.140 6 residues pruned to eliminate duplicates Z: 23 14.345 1.864 0.520 0.365 0.864 0.591 CB 1.446 23 residues pruned to eliminate duplicates Z: 28 13.424 1.853 0.442 0.299 0.852 0.407 CB 1.420 22 residues pruned to eliminate duplicates Z: 22 18.164 1.996 0.519 0.371 0.905 0.524 N 1.659 22 residues pruned to eliminate duplicates Z: 25 23.451 2.088 0.621 0.373 0.958 0.458 N 1.690 32 residues pruned to eliminate duplicates Z: 29 18.604 1.943 0.538 0.331 0.893 0.536 N 1.586 29 residues pruned to eliminate duplicates Z: 25 11.958 1.875 0.429 0.301 0.792 0.458 CB 1.436 25 residues pruned to eliminate duplicates Z: 25 18.068 2.059 0.432 0.365 0.958 0.500 N 1.509 25 residues pruned to eliminate duplicates Z: 22 15.337 2.022 0.298 0.376 0.905 0.429 N 1.610 22 residues pruned to eliminate duplicates Z: 24 20.747 1.964 0.595 0.416 0.957 0.652 N 1.576 24 residues pruned to eliminate duplicates Z: 22 16.995 2.015 0.404 0.381 0.952 0.524 N 1.562 22 residues pruned to eliminate duplicates Z: 27 19.115 2.015 0.440 0.388 0.923 0.654 CB 1.576 27 residues pruned to eliminate duplicates Z: 27 17.196 2.021 0.271 0.396 0.923 0.538 N 1.587 27 residues pruned to eliminate duplicates Z: 26 18.433 2.083 0.418 0.379 0.880 0.480 N 1.613 26 residues pruned to eliminate duplicates Z: 27 17.098 1.988 0.446 0.357 0.885 0.500 N 1.540 27 residues pruned to eliminate duplicates Z: 24 14.694 1.959 0.314 0.335 0.913 0.652 CB 1.560 24 residues pruned to eliminate duplicates Z: 26 22.989 2.071 0.478 0.425 0.960 0.560 CB 1.691 26 residues pruned to eliminate duplicates Z: 26 19.896 2.065 0.470 0.403 0.920 0.520 N 1.579 26 residues pruned to eliminate duplicates Z: 16 8.321 1.829 0.292 0.312 0.867 0.533 CB 1.292 16 residues pruned to eliminate duplicates Z: 21 11.629 1.920 0.273 0.401 0.900 0.350 CB 1.313 21 residues pruned to eliminate duplicates Z: 84 39.365 2.091 0.454 0.510 0.916 0.542 CA 1.538 84 residues pruned to eliminate duplicates Z: 24 16.873 2.031 0.260 0.421 1.000 0.435 CB 1.493 24 residues pruned to eliminate duplicates Z: 8 6.604 1.337 1.337 0.529 0.857 0.286 CB 0.905 8 residues pruned to eliminate duplicates Z: 25 16.848 2.058 0.347 0.401 0.958 0.417 CA 1.436 25 residues pruned to eliminate duplicates Z: 21 9.738 1.930 0.239 0.385 0.850 0.400 CB 1.211 21 residues pruned to eliminate duplicates Z: 36 21.282 2.065 0.372 0.512 0.857 0.486 CA 1.463 36 residues pruned to eliminate duplicates Z: 34 24.472 2.046 0.455 0.532 0.970 0.515 CA 1.430 34 residues pruned to eliminate duplicates Z: 7 4.906 1.585 0.474 0.527 0.833 0.667 CA 1.002 7 residues pruned to eliminate duplicates Z: 33 25.800 2.093 0.553 0.560 0.875 0.562 CB 1.513 33 residues pruned to eliminate duplicates Z: 64 34.343 2.101 0.417 0.536 0.921 0.571 CA 1.524 64 residues pruned to eliminate duplicates Z: 19 10.449 1.853 0.201 0.413 0.944 0.611 CB 1.283 19 residues pruned to eliminate duplicates Z: 45 21.461 1.956 0.481 0.456 0.932 0.568 CA 1.255 45 residues pruned to eliminate duplicates Z: 21 17.847 1.947 0.802 0.694 0.850 0.500 CA 1.122 21 residues pruned to eliminate duplicates Z: 32 23.165 2.009 0.550 0.666 0.935 0.613 CA 1.225 32 residues pruned to eliminate duplicates Z: 42 30.506 2.061 0.478 0.716 0.951 0.683 CA 1.352 42 residues pruned to eliminate duplicates Z: 36 23.862 1.986 0.461 0.523 0.943 0.457 CB 1.442 36 residues pruned to eliminate duplicates Z: 34 26.022 2.067 0.529 0.660 0.939 0.515 CA 1.316 34 residues pruned to eliminate duplicates Z: 41 27.049 2.002 0.661 0.545 0.925 0.350 CA 1.331 41 residues pruned to eliminate duplicates Z: 67 36.584 2.087 0.468 0.582 0.924 0.561 CA 1.471 67 residues pruned to eliminate duplicates Z: 11 11.256 1.961 0.701 0.687 0.600 0.300 CA 1.499 11 residues pruned to eliminate duplicates Z: 63 31.644 2.042 0.468 0.561 0.887 0.500 CA 1.425 63 residues pruned to eliminate duplicates Z: 26 21.058 1.937 0.505 0.687 0.960 0.520 CA 1.268 26 residues pruned to eliminate duplicates Z: 20 18.997 1.994 0.654 0.690 0.895 0.421 CA 1.241 20 residues pruned to eliminate duplicates Z: 16 18.161 1.986 0.619 0.780 0.933 0.533 CA 1.221 16 residues pruned to eliminate duplicates Z: 18 19.284 1.966 0.649 0.733 0.882 0.471 CA 1.327 18 residues pruned to eliminate duplicates Z: 27 14.280 1.820 0.514 0.527 0.769 0.385 CA 1.287 27 residues pruned to eliminate duplicates Z: 76 45.135 2.105 0.578 0.579 0.933 0.640 CA 1.558 77 residues pruned to eliminate duplicates Z: 18 25.055 2.087 0.874 0.879 1.000 0.353 CA 1.127 18 residues pruned to eliminate duplicates Z: 68 35.041 1.997 0.688 0.483 0.896 0.448 CA 1.442 68 residues pruned to eliminate duplicates Z: 26 21.168 2.025 0.647 0.661 0.960 0.440 CA 1.139 26 residues pruned to eliminate duplicates Z: 80 36.673 2.052 0.585 0.504 0.861 0.532 CB 1.468 80 residues pruned to eliminate duplicates Z: 40 20.600 1.892 0.475 0.584 0.872 0.462 CA 1.250 40 residues pruned to eliminate duplicates Z: 36 37.165 2.120 0.738 0.708 0.943 0.686 CA 1.496 36 residues pruned to eliminate duplicates Z: 80 41.707 2.099 0.480 0.550 0.924 0.544 CA 1.556 80 residues pruned to eliminate duplicates Z: 84 40.631 2.082 0.481 0.545 0.928 0.482 CA 1.492 84 residues pruned to eliminate duplicates Z: 62 33.209 2.042 0.601 0.526 0.902 0.508 CA 1.406 62 residues pruned to eliminate duplicates Z: 68 39.311 2.077 0.542 0.554 0.955 0.522 CA 1.490 68 residues pruned to eliminate duplicates Z: 62 41.025 2.072 0.633 0.601 0.967 0.574 CA 1.457 62 residues pruned to eliminate duplicates Z: 11 22.430 2.217 1.032 0.848 0.900 0.700 CB 1.298 11 residues pruned to eliminate duplicates Z: 64 39.294 2.072 0.614 0.566 0.921 0.508 CA 1.508 64 residues pruned to eliminate duplicates Z: 54 37.773 2.110 0.621 0.574 0.925 0.566 CA 1.527 54 residues pruned to eliminate duplicates Z: 42 36.062 2.085 0.736 0.672 0.951 0.463 CA 1.395 42 residues pruned to eliminate duplicates Z: 15 17.664 2.212 0.530 0.747 0.857 0.643 CB 1.306 15 residues pruned to eliminate duplicates Z: 59 37.553 2.081 0.544 0.560 0.914 0.534 CA 1.584 59 residues pruned to eliminate duplicates Z: 25 19.091 2.039 0.466 0.546 0.917 0.500 CB 1.360 25 residues pruned to eliminate duplicates Z: 47 33.063 2.122 0.640 0.488 0.913 0.522 CB 1.553 46 residues pruned to eliminate duplicates Z: 13 21.584 2.158 1.077 0.719 0.833 0.500 CB 1.369 13 residues pruned to eliminate duplicates Z: 67 38.873 2.107 0.572 0.592 0.894 0.621 CA 1.480 67 residues pruned to eliminate duplicates Z: 47 30.267 2.066 0.578 0.642 0.913 0.522 CA 1.313 47 residues pruned to eliminate duplicates Z: 68 39.570 2.097 0.487 0.595 0.940 0.478 CA 1.505 68 residues pruned to eliminate duplicates Z: 23 26.569 2.118 0.608 0.569 1.000 0.500 CB 1.555 23 residues pruned to eliminate duplicates Z: 61 41.035 2.107 0.601 0.604 0.950 0.600 CA 1.498 61 residues pruned to eliminate duplicates Z: 61 39.239 2.098 0.561 0.576 0.950 0.517 CA 1.514 61 residues pruned to eliminate duplicates Z: 27 19.286 2.046 0.503 0.408 0.885 0.538 CB 1.532 27 residues pruned to eliminate duplicates Z: 55 38.148 2.127 0.552 0.563 0.944 0.593 CA 1.566 55 residues pruned to eliminate duplicates Z: 55 33.813 2.057 0.682 0.478 0.907 0.407 CA 1.498 55 residues pruned to eliminate duplicates Z: 34 21.544 2.080 0.502 0.361 0.879 0.424 CB 1.586 34 residues pruned to eliminate duplicates Z: 6 4.224 1.534 0.628 0.350 0.800 0.400 C 1.113 6 residues pruned to eliminate duplicates Z: 17 13.427 2.099 0.327 0.378 0.875 0.562 CA 1.569 17 residues pruned to eliminate duplicates Z: 62 37.878 2.088 0.675 0.536 0.902 0.541 CA 1.484 62 residues pruned to eliminate duplicates Z: 67 43.217 2.128 0.669 0.584 0.924 0.515 CA 1.496 67 residues pruned to eliminate duplicates Z: 24 19.973 2.122 0.556 0.446 0.826 0.565 CA 1.615 24 residues pruned to eliminate duplicates Z: 12 13.609 1.974 0.304 0.612 1.000 0.636 CB 1.434 14 residues pruned to eliminate duplicates Z: 11 13.492 1.951 0.225 0.650 1.000 0.700 CA 1.551 11 residues pruned to eliminate duplicates Z: 78 43.102 2.095 0.550 0.569 0.935 0.558 CA 1.514 78 residues pruned to eliminate duplicates Z: 24 16.532 2.135 0.281 0.470 0.826 0.522 CA 1.573 24 residues pruned to eliminate duplicates Z: 20 20.049 2.100 0.387 0.559 0.895 0.526 CB 1.667 18 residues pruned to eliminate duplicates Z: 11 19.395 1.885 0.684 0.858 1.000 0.500 CA 1.423 11 residues pruned to eliminate duplicates Z: 34 23.344 2.011 0.600 0.404 0.909 0.455 CA 1.537 33 residues pruned to eliminate duplicates Z: 11 17.157 1.838 0.728 0.753 1.000 0.600 CA 1.363 11 residues pruned to eliminate duplicates Z: 7 4.070 1.905 0.526 0.106 0.667 0.333 CB 1.415 5 residues pruned to eliminate duplicates Z: 13 16.085 1.826 0.681 0.686 1.000 0.417 CA 1.275 15 residues pruned to eliminate duplicates Z: 6 4.693 1.670 0.507 0.276 1.000 0.400 CA 1.075 5 residues pruned to eliminate duplicates Z: 6 4.982 1.885 0.736 0.373 0.800 0.600 CB 0.976 6 residues pruned to eliminate duplicates Z: 13 10.244 2.124 0.372 0.318 0.833 0.500 CB 1.490 13 residues pruned to eliminate duplicates Z: 14 10.603 2.048 0.501 0.309 0.846 0.538 CB 1.398 14 residues pruned to eliminate duplicates Z: 14 13.376 1.976 0.660 0.450 1.000 0.308 CB 1.190 14 residues pruned to eliminate duplicates Z: 6 4.545 2.037 0.786 0.343 0.600 0.600 CB 1.104 6 residues pruned to eliminate duplicates Z: 12 12.379 2.084 0.661 0.309 1.000 0.636 CB 1.334 12 residues pruned to eliminate duplicates Z: 14 11.009 2.050 0.575 0.294 0.846 0.538 CB 1.408 14 residues pruned to eliminate duplicates Z: 13 13.353 2.124 0.485 0.338 0.833 0.333 CB 1.749 13 residues pruned to eliminate duplicates Z: 23 21.884 2.144 0.664 0.584 0.909 0.682 CA 1.327 23 residues pruned to eliminate duplicates Z: 15 6.266 2.097 0.511 0.261 0.929 0.357 CA 0.748 15 residues pruned to eliminate duplicates Z: 43 40.654 2.267 0.604 0.653 0.905 0.524 CA 1.653 43 residues pruned to eliminate duplicates Z: 44 41.969 2.226 0.567 0.669 0.977 0.698 CA 1.607 44 residues pruned to eliminate duplicates Z: 44 38.475 2.219 0.545 0.652 0.953 0.721 CA 1.559 44 residues pruned to eliminate duplicates Z: 43 35.816 2.246 0.626 0.626 0.857 0.571 CA 1.567 43 residues pruned to eliminate duplicates Z: 48 40.675 2.194 0.586 0.637 0.936 0.468 CB 1.602 48 residues pruned to eliminate duplicates Z: 64 38.643 2.163 0.584 0.468 0.937 0.587 CA 1.568 64 residues pruned to eliminate duplicates Z: 44 40.776 2.251 0.570 0.633 0.930 0.605 CB 1.669 44 residues pruned to eliminate duplicates Z: 63 46.161 2.211 0.682 0.547 0.935 0.548 CB 1.608 63 residues pruned to eliminate duplicates Z: 72 50.983 2.212 0.674 0.552 0.944 0.563 CA 1.645 72 residues pruned to eliminate duplicates Z: 43 40.221 2.253 0.568 0.658 0.929 0.595 CA 1.634 43 residues pruned to eliminate duplicates Z: 42 42.505 2.253 0.600 0.656 0.951 0.585 CA 1.675 42 residues pruned to eliminate duplicates Z: 75 43.358 2.168 0.541 0.518 0.946 0.541 CB 1.566 75 residues pruned to eliminate duplicates Z: 44 42.920 2.227 0.607 0.660 0.977 0.512 CA 1.614 44 residues pruned to eliminate duplicates Z: 17 19.422 2.215 0.544 0.637 0.875 0.438 CB 1.428 17 residues pruned to eliminate duplicates Z: 42 43.080 2.273 0.624 0.710 0.902 0.463 CB 1.669 42 residues pruned to eliminate duplicates Z: 40 36.506 2.242 0.572 0.607 0.923 0.462 CB 1.623 40 residues pruned to eliminate duplicates Z: 33 35.488 2.184 0.746 0.637 0.938 0.500 CA 1.543 33 residues pruned to eliminate duplicates Z: 65 41.429 2.209 0.625 0.531 0.859 0.516 CA 1.628 65 residues pruned to eliminate duplicates Z: 44 37.552 2.135 0.827 0.572 0.930 0.512 CA 1.473 44 residues pruned to eliminate duplicates Z: 45 40.286 2.232 0.656 0.621 0.909 0.523 CA 1.612 45 residues pruned to eliminate duplicates Z: 42 48.510 2.261 0.777 0.696 0.951 0.463 CB 1.658 42 residues pruned to eliminate duplicates Z: 52 45.804 2.233 0.670 0.623 0.922 0.549 CA 1.662 52 residues pruned to eliminate duplicates Z: 45 43.154 2.234 0.656 0.647 0.955 0.477 CB 1.606 45 residues pruned to eliminate duplicates Z: 36 45.232 2.289 0.784 0.703 0.943 0.514 CB 1.651 36 residues pruned to eliminate duplicates Z: 43 40.538 2.232 0.649 0.684 0.881 0.548 CA 1.630 43 residues pruned to eliminate duplicates Z: 41 45.146 2.249 0.701 0.724 0.950 0.550 CA 1.604 41 residues pruned to eliminate duplicates Z: 45 43.006 2.215 0.665 0.666 0.909 0.477 CA 1.659 45 residues pruned to eliminate duplicates Z: 34 51.493 2.305 0.795 0.769 1.000 0.606 CB 1.707 34 residues pruned to eliminate duplicates Z: 33 46.541 2.315 0.850 0.750 0.906 0.562 CB 1.696 33 residues pruned to eliminate duplicates Z: 47 39.259 2.179 0.653 0.620 0.870 0.565 CA 1.650 47 residues pruned to eliminate duplicates Z: 41 45.122 2.265 0.670 0.678 0.975 0.450 CA 1.643 41 residues pruned to eliminate duplicates Z: 74 42.689 2.202 0.549 0.496 0.932 0.493 CB 1.579 74 residues pruned to eliminate duplicates Z: 67 45.689 2.191 0.600 0.555 0.955 0.485 CA 1.593 67 residues pruned to eliminate duplicates Z: 99 50.927 2.198 0.538 0.560 0.878 0.551 CB 1.635 99 residues pruned to eliminate duplicates Z: 45 43.741 2.218 0.737 0.641 0.955 0.545 CA 1.571 45 residues pruned to eliminate duplicates Z: 61 41.699 2.130 0.771 0.519 0.883 0.567 CA 1.584 61 residues pruned to eliminate duplicates Z: 44 45.208 2.262 0.646 0.664 0.977 0.465 CA 1.628 44 residues pruned to eliminate duplicates Z: 45 22.990 2.077 0.598 0.348 0.886 0.432 CB 1.389 45 residues pruned to eliminate duplicates Z: 44 46.486 2.257 0.691 0.640 0.977 0.488 CB 1.667 44 residues pruned to eliminate duplicates Z: 66 41.907 2.164 0.594 0.517 0.938 0.400 CA 1.579 66 residues pruned to eliminate duplicates Z: 51 46.036 2.223 0.739 0.623 0.960 0.520 CB 1.562 51 residues pruned to eliminate duplicates Z: 71 52.344 2.231 0.739 0.543 0.929 0.514 CB 1.665 71 residues pruned to eliminate duplicates Z: 62 44.339 2.211 0.615 0.558 0.951 0.557 CA 1.581 62 residues pruned to eliminate duplicates Z: 62 43.739 2.182 0.652 0.531 0.951 0.525 CB 1.584 62 residues pruned to eliminate duplicates Z: 51 43.114 2.266 0.617 0.604 0.960 0.580 CB 1.570 51 residues pruned to eliminate duplicates Z: 18 18.169 2.203 0.573 0.330 0.941 0.529 CB 1.627 18 residues pruned to eliminate duplicates Z: 46 26.321 2.166 0.546 0.397 0.822 0.356 CB 1.589 46 residues pruned to eliminate duplicates Z: 27 23.279 2.200 0.574 0.367 0.923 0.615 CA 1.648 27 residues pruned to eliminate duplicates Z: 108 51.768 2.163 0.542 0.557 0.907 0.551 CA 1.566 108 residues pruned to eliminate duplicates Z: 67 47.215 2.167 0.719 0.533 0.955 0.530 CA 1.582 67 residues pruned to eliminate duplicates Z: 17 18.570 2.212 0.716 0.298 0.938 0.375 CB 1.635 17 residues pruned to eliminate duplicates Z: 60 29.271 2.076 0.363 0.503 0.864 0.593 CA 1.553 60 residues pruned to eliminate duplicates Z: 28 14.000 1.977 0.499 0.276 0.778 0.481 CA 1.506 28 residues pruned to eliminate duplicates Z: 90 47.742 2.176 0.512 0.519 0.899 0.494 CB 1.678 90 residues pruned to eliminate duplicates Z: 63 46.807 2.213 0.683 0.540 0.952 0.468 CB 1.614 63 residues pruned to eliminate duplicates Z: 21 20.004 2.237 0.622 0.360 0.900 0.600 CA 1.593 21 residues pruned to eliminate duplicates Z: 11 12.016 2.223 0.457 0.290 1.000 0.500 CA 1.485 11 residues pruned to eliminate duplicates Z: 61 47.381 2.227 0.678 0.562 0.933 0.433 CA 1.652 61 residues pruned to eliminate duplicates Z: 22 17.359 2.227 0.489 0.327 0.857 0.524 CA 1.613 22 residues pruned to eliminate duplicates Z: 19 15.397 2.233 0.436 0.423 0.889 0.556 CA 1.379 19 residues pruned to eliminate duplicates Z: 71 50.118 2.253 0.680 0.545 0.929 0.557 CA 1.631 71 residues pruned to eliminate duplicates Z: 71 49.529 2.241 0.649 0.539 0.943 0.457 CA 1.635 71 residues pruned to eliminate duplicates Z: 16 10.131 2.040 0.512 0.389 0.733 0.267 CA 1.301 16 residues pruned to eliminate duplicates Z: 48 24.588 2.135 0.396 0.337 0.830 0.468 CB 1.732 48 residues pruned to eliminate duplicates Z: 27 22.255 2.205 0.632 0.388 0.885 0.538 CA 1.543 27 residues pruned to eliminate duplicates Z: 71 53.826 2.239 0.779 0.553 0.943 0.529 CA 1.627 71 residues pruned to eliminate duplicates Z: 25 19.403 2.058 0.499 0.379 0.833 0.500 N 1.751 25 residues pruned to eliminate duplicates Z: 48 29.305 2.078 0.434 0.574 0.851 0.574 CB 1.570 48 residues pruned to eliminate duplicates Z: 90 49.990 2.187 0.576 0.501 0.921 0.483 CA 1.667 90 residues pruned to eliminate duplicates Z: 43 25.354 2.149 0.519 0.341 0.833 0.571 CA 1.710 43 residues pruned to eliminate duplicates Z: 19 9.631 1.883 0.143 0.314 0.833 0.556 N 1.555 19 residues pruned to eliminate duplicates Z: 32 18.997 2.063 0.146 0.613 0.839 0.677 CB 1.546 32 residues pruned to eliminate duplicates Z: 37 19.746 2.006 0.150 0.628 0.861 0.639 CB 1.469 37 residues pruned to eliminate duplicates Z: 14 10.196 2.129 0.196 0.410 0.769 0.615 N 1.587 14 residues pruned to eliminate duplicates Z: 18 10.016 1.946 0.162 0.348 0.824 0.471 CA 1.538 18 residues pruned to eliminate duplicates Z: 12 15.325 2.146 0.243 0.591 0.909 0.727 CB 1.746 12 residues pruned to eliminate duplicates Z: 24 26.872 2.191 0.400 0.735 0.913 0.783 CB 1.621 24 residues pruned to eliminate duplicates Z: 11 12.145 2.123 0.259 0.421 0.900 0.700 N 1.733 11 residues pruned to eliminate duplicates Z: 54 21.173 1.975 0.405 0.495 0.811 0.660 CB 1.298 54 residues pruned to eliminate duplicates Z: 12 12.714 2.056 0.283 0.568 0.909 0.636 CB 1.496 12 residues pruned to eliminate duplicates Z: 48 24.392 2.051 0.357 0.583 0.851 0.574 CB 1.387 48 residues pruned to eliminate duplicates Z: 37 20.431 2.057 0.246 0.609 0.806 0.639 CB 1.487 37 residues pruned to eliminate duplicates Z: 23 24.184 2.167 0.277 0.698 0.909 0.773 CA 1.710 23 residues pruned to eliminate duplicates Z: 19 23.340 2.233 0.222 0.709 0.889 0.833 CB 1.876 19 residues pruned to eliminate duplicates Z: 57 30.828 2.113 0.443 0.488 0.839 0.607 CB 1.630 57 residues pruned to eliminate duplicates Z: 40 23.837 2.047 0.301 0.601 0.846 0.590 CB 1.539 40 residues pruned to eliminate duplicates Z: 39 26.096 1.990 0.526 0.559 0.868 0.553 CB 1.516 39 residues pruned to eliminate duplicates Z: 27 29.645 2.115 0.660 0.683 0.923 0.731 CB 1.517 27 residues pruned to eliminate duplicates Z: 32 23.111 1.998 0.666 0.640 0.839 0.516 CB 1.304 32 residues pruned to eliminate duplicates Z: 31 25.577 2.052 0.621 0.575 0.833 0.467 CB 1.568 31 residues pruned to eliminate duplicates Z: 38 23.734 2.040 0.474 0.579 0.838 0.541 CB 1.436 38 residues pruned to eliminate duplicates Z: 66 33.790 2.118 0.496 0.491 0.831 0.508 CB 1.606 66 residues pruned to eliminate duplicates Z: 23 25.395 2.085 0.668 0.740 0.864 0.500 CB 1.454 23 residues pruned to eliminate duplicates Z: 33 22.576 2.014 0.530 0.632 0.812 0.375 CB 1.408 33 residues pruned to eliminate duplicates Z: 36 23.004 1.943 0.693 0.588 0.771 0.371 CB 1.408 36 residues pruned to eliminate duplicates Z: 23 14.059 1.923 0.517 0.605 0.727 0.318 CB 1.278 23 residues pruned to eliminate duplicates Z: 43 24.306 1.949 0.716 0.520 0.786 0.429 CB 1.399 43 residues pruned to eliminate duplicates Z: 29 22.255 2.091 0.578 0.685 0.750 0.464 CB 1.434 29 residues pruned to eliminate duplicates Z: 36 24.183 2.037 0.411 0.647 0.800 0.486 CB 1.551 36 residues pruned to eliminate duplicates Z: 32 27.535 1.971 0.837 0.624 0.871 0.484 CB 1.396 32 residues pruned to eliminate duplicates Z: 37 20.610 2.033 0.467 0.587 0.750 0.389 CB 1.413 37 residues pruned to eliminate duplicates Z: 43 21.961 1.998 0.422 0.539 0.762 0.429 CB 1.507 43 residues pruned to eliminate duplicates Z: 25 12.735 2.031 0.501 0.468 0.708 0.417 CB 1.244 25 residues pruned to eliminate duplicates Z: 58 23.831 2.014 0.351 0.528 0.772 0.439 CB 1.461 58 residues pruned to eliminate duplicates Z: 36 23.581 2.063 0.581 0.596 0.771 0.486 CB 1.445 36 residues pruned to eliminate duplicates Z: 129 49.468 2.133 0.546 0.506 0.859 0.469 CB 1.534 131 residues pruned to eliminate duplicates Z: 7 5.037 1.610 0.409 0.412 1.000 0.667 CB 0.994 7 residues pruned to eliminate duplicates Z: 14 11.219 2.091 0.403 0.442 0.846 0.615 CB 1.331 14 residues pruned to eliminate duplicates Z: 20 10.294 1.829 0.328 0.398 0.842 0.421 CB 1.287 20 residues pruned to eliminate duplicates Z: 51 26.130 2.060 0.583 0.525 0.800 0.460 CB 1.383 51 residues pruned to eliminate duplicates Z: 14 11.604 2.098 0.208 0.499 0.923 0.615 CB 1.377 14 residues pruned to eliminate duplicates Z: 19 11.670 1.984 0.352 0.427 0.889 0.611 CB 1.245 19 residues pruned to eliminate duplicates Z: 45 24.576 2.065 0.444 0.564 0.886 0.386 CB 1.318 45 residues pruned to eliminate duplicates Z: 51 25.000 2.046 0.407 0.565 0.860 0.460 CB 1.341 51 residues pruned to eliminate duplicates Z: 18 10.688 2.021 0.210 0.420 0.941 0.529 CB 1.225 18 residues pruned to eliminate duplicates Z: 27 10.127 1.873 0.310 0.302 0.846 0.538 CB 1.193 27 residues pruned to eliminate duplicates Z: 8 5.130 1.957 -0.033 0.417 1.000 0.571 CB 1.117 8 residues pruned to eliminate duplicates Z: 24 11.447 1.875 0.170 0.405 0.870 0.391 CB 1.382 26 residues pruned to eliminate duplicates Z: 25 12.364 1.945 0.210 0.415 0.792 0.458 CB 1.480 25 residues pruned to eliminate duplicates Z: 9 3.661 1.739 0.350 0.176 0.625 0.250 O 1.305 9 residues pruned to eliminate duplicates Z: 23 13.931 1.921 0.327 0.420 0.864 0.455 CB 1.466 23 residues pruned to eliminate duplicates Z: 11 4.749 1.750 -0.031 0.251 0.800 0.100 CA 1.473 11 residues pruned to eliminate duplicates Z: 16 8.242 1.854 0.375 0.298 0.733 0.267 CB 1.427 16 residues pruned to eliminate duplicates Z: 6 2.260 1.549 0.855 0.100 0.600 0.600 CA 0.977 6 residues pruned to eliminate duplicates Z: 46 17.641 1.921 0.395 0.341 0.844 0.467 CA 1.383 66 residues pruned to eliminate duplicates Z: 6 5.724 1.889 0.400 0.318 1.000 0.200 CB 1.183 6 residues pruned to eliminate duplicates Z: 27 15.970 1.981 0.605 0.320 0.846 0.462 CA 1.419 27 residues pruned to eliminate duplicates Z: 19 11.180 1.866 0.646 0.269 0.778 0.611 CB 1.436 19 residues pruned to eliminate duplicates Z: 48 31.407 2.063 0.500 0.508 0.957 0.617 CA 1.534 48 residues pruned to eliminate duplicates Z: 30 14.847 2.026 0.433 0.390 0.793 0.483 CA 1.346 30 residues pruned to eliminate duplicates Z: 23 11.542 2.005 0.351 0.337 0.818 0.500 CA 1.327 23 residues pruned to eliminate duplicates Z: 11 9.789 2.085 0.376 0.424 0.900 0.600 CA 1.298 11 residues pruned to eliminate duplicates Z: 12 11.776 1.983 0.654 0.541 0.818 0.636 CA 1.270 12 residues pruned to eliminate duplicates Z: 31 16.629 2.007 0.523 0.376 0.867 0.533 CA 1.309 31 residues pruned to eliminate duplicates Z: 61 32.353 2.026 0.502 0.529 0.883 0.683 CA 1.510 61 residues pruned to eliminate duplicates Z: 33 17.293 2.038 0.542 0.345 0.750 0.469 CA 1.535 33 residues pruned to eliminate duplicates Z: 13 9.882 1.815 0.379 0.444 0.917 0.667 CA 1.317 13 residues pruned to eliminate duplicates Z: 17 18.180 2.184 0.459 0.425 1.000 0.562 CA 1.543 17 residues pruned to eliminate duplicates Z: 18 12.981 1.960 0.434 0.369 0.882 0.471 CA 1.460 18 residues pruned to eliminate duplicates Z: 41 19.581 1.877 0.517 0.435 0.825 0.450 CA 1.409 41 residues pruned to eliminate duplicates Z: 20 13.129 2.053 0.267 0.350 0.895 0.474 CA 1.523 20 residues pruned to eliminate duplicates Z: 10 10.814 2.005 0.613 0.567 0.778 0.444 CA 1.343 10 residues pruned to eliminate duplicates Z: 19 14.524 1.997 0.537 0.447 0.833 0.611 CA 1.413 19 residues pruned to eliminate duplicates Z: 14 20.752 2.155 0.404 0.597 1.000 0.615 CA 1.734 14 residues pruned to eliminate duplicates Z: 17 12.551 2.101 0.436 0.367 0.812 0.500 CA 1.476 17 residues pruned to eliminate duplicates Z: 40 24.626 2.047 0.524 0.430 0.872 0.641 CA 1.559 40 residues pruned to eliminate duplicates Z: 19 17.091 2.015 0.618 0.384 0.944 0.611 CB 1.480 19 residues pruned to eliminate duplicates Z: 39 31.942 2.015 0.468 0.656 0.921 0.711 CB 1.645 39 residues pruned to eliminate duplicates Z: 46 31.955 1.990 0.611 0.553 0.911 0.556 CA 1.549 46 residues pruned to eliminate duplicates Z: 40 35.422 2.102 0.685 0.561 0.949 0.667 CA 1.591 40 residues pruned to eliminate duplicates Z: 30 33.293 2.026 0.563 0.729 0.966 0.724 CB 1.646 30 residues pruned to eliminate duplicates Z: 33 30.006 1.963 0.557 0.671 0.969 0.656 CB 1.530 33 residues pruned to eliminate duplicates Z: 32 34.442 2.025 0.648 0.698 0.968 0.613 CB 1.598 32 residues pruned to eliminate duplicates Z: 56 31.253 2.016 0.465 0.515 0.927 0.600 CB 1.516 56 residues pruned to eliminate duplicates Z: 54 28.249 1.894 0.505 0.505 0.925 0.415 CB 1.466 54 residues pruned to eliminate duplicates Z: 32 34.953 2.077 0.592 0.730 0.968 0.645 CB 1.595 32 residues pruned to eliminate duplicates Z: 45 34.062 1.939 0.769 0.550 0.886 0.409 CB 1.609 45 residues pruned to eliminate duplicates Z: 35 32.117 1.989 0.782 0.626 0.941 0.529 CB 1.466 35 residues pruned to eliminate duplicates Z: 35 29.701 2.010 0.788 0.658 0.912 0.529 CB 1.342 35 residues pruned to eliminate duplicates Z: 24 21.106 1.957 0.654 0.707 0.739 0.304 CB 1.524 24 residues pruned to eliminate duplicates Z: 22 23.347 2.003 0.634 0.843 0.857 0.333 CB 1.353 22 residues pruned to eliminate duplicates Z: 24 25.667 1.962 0.895 0.652 0.783 0.478 CB 1.596 24 residues pruned to eliminate duplicates Z: 27 31.543 2.034 0.646 0.772 0.923 0.423 CB 1.574 27 residues pruned to eliminate duplicates Z: 48 34.090 2.005 0.649 0.593 0.872 0.489 CB 1.578 48 residues pruned to eliminate duplicates Z: 30 25.235 1.963 0.701 0.681 0.862 0.448 CB 1.378 30 residues pruned to eliminate duplicates Z: 26 36.762 2.046 0.922 0.765 0.960 0.480 CB 1.539 26 residues pruned to eliminate duplicates Z: 50 34.813 1.940 0.759 0.575 0.918 0.531 CB 1.476 46 residues pruned to eliminate duplicates Z: 23 40.655 2.111 1.027 0.855 0.909 0.636 CB 1.644 23 residues pruned to eliminate duplicates Z: 10 5.457 1.717 0.387 0.248 0.778 0.333 C 1.313 10 residues pruned to eliminate duplicates Z: 26 23.381 1.950 0.611 0.663 0.840 0.400 CB 1.523 26 residues pruned to eliminate duplicates Z: 32 32.813 2.024 0.760 0.672 0.903 0.452 CB 1.563 36 residues pruned to eliminate duplicates Z: 7 9.236 1.692 1.216 0.534 1.000 0.500 CB 0.973 6 residues pruned to eliminate duplicates Z: 6 4.265 1.590 0.841 0.526 0.600 0.200 CA 1.059 6 residues pruned to eliminate duplicates Z: 9 7.365 1.734 0.853 0.379 0.875 0.125 CB 1.054 9 residues pruned to eliminate duplicates Z: 13 7.923 1.729 0.552 0.299 0.833 0.250 CB 1.279 10 residues pruned to eliminate duplicates Z: 6 3.953 1.659 0.838 0.773 0.800 0.400 CB 0.569 4 residues pruned to eliminate duplicates Z: 12 8.051 1.865 0.726 0.446 0.818 0.364 CB 0.975 15 residues pruned to eliminate duplicates Z: 16 6.012 1.855 0.381 0.424 0.733 0.467 CB 0.895 16 residues pruned to eliminate duplicates Z: 15 7.807 1.904 0.399 0.477 0.857 0.500 CB 0.935 12 residues pruned to eliminate duplicates Z: 6 6.842 1.836 0.507 0.568 1.000 0.200 CB 1.036 6 residues pruned to eliminate duplicates Z: 11 7.986 1.841 0.436 0.564 0.800 0.500 CA 1.122 11 residues pruned to eliminate duplicates Z: 9 6.626 1.869 0.486 0.434 0.625 0.125 CA 1.446 Z: 8 4.611 1.721 0.864 0.298 0.714 0.429 CA 0.953 Z: 7 3.477 1.889 0.286 0.398 0.667 0.500 CA 0.976 7 residues pruned to eliminate duplicates Z: 16 7.985 2.061 0.355 0.167 0.733 0.267 CB 1.510 16 residues pruned to eliminate duplicates Z: 13 6.426 1.814 0.137 0.336 0.917 0.250 CB 1.175 13 residues pruned to eliminate duplicates Z: 19 7.988 2.062 0.270 0.252 0.667 0.389 CB 1.434 19 residues pruned to eliminate duplicates Z: 18 8.078 1.912 0.421 0.201 0.706 0.353 CB 1.457 18 residues pruned to eliminate duplicates Z: 10 4.026 1.975 0.045 0.056 0.778 0.222 CB 1.505 26 residues pruned to eliminate duplicates Z: 6 3.068 1.461 0.906 0.255 0.800 0.200 CB 0.815 6 residues pruned to eliminate duplicates Z: 9 14.920 1.992 0.534 0.598 1.000 0.625 N 1.572 10 residues pruned to eliminate duplicates Z: 12 10.867 1.697 0.341 0.712 1.000 0.545 CA 1.188 11 residues pruned to eliminate duplicates Z: 10 13.719 1.852 0.569 0.557 1.000 0.222 N 1.489 11 residues pruned to eliminate duplicates Z: 11 10.771 1.850 0.404 0.621 0.900 0.300 N 1.299 11 residues pruned to eliminate duplicates Z: 9 13.070 1.901 0.442 0.583 1.000 0.500 N 1.557 9 residues pruned to eliminate duplicates Z: 8 13.669 2.068 0.420 0.638 1.000 0.714 CA 1.546 8 residues pruned to eliminate duplicates Z: 11 11.756 1.710 0.545 0.643 1.000 0.700 CA 1.231 11 residues pruned to eliminate duplicates Z: 25 17.912 1.954 0.404 0.490 0.875 0.542 CA 1.538 32 residues pruned to eliminate duplicates Z: 12 8.825 1.796 0.388 0.468 0.909 0.545 CA 1.213 12 residues pruned to eliminate duplicates Z: 22 21.899 2.070 0.468 0.543 0.952 0.476 CA 1.584 21 residues pruned to eliminate duplicates Z: 12 21.081 2.015 0.788 0.756 1.000 0.455 CB 1.404 12 residues pruned to eliminate duplicates Z: 14 16.355 2.021 0.512 0.607 0.923 0.231 CB 1.452 14 residues pruned to eliminate duplicates Z: 25 19.571 1.931 0.512 0.545 0.833 0.417 CA 1.571 25 residues pruned to eliminate duplicates Z: 11 20.675 2.052 0.692 0.826 0.900 0.300 CA 1.578 11 residues pruned to eliminate duplicates Z: 11 19.331 2.010 0.641 0.832 0.900 0.500 CA 1.547 11 residues pruned to eliminate duplicates Z: 12 20.639 2.114 0.617 0.669 0.909 0.273 CB 1.713 12 residues pruned to eliminate duplicates Z: 13 19.250 2.032 0.591 0.680 0.917 0.333 CA 1.589 13 residues pruned to eliminate duplicates Z: 22 21.670 2.056 0.520 0.550 0.905 0.333 CA 1.592 22 residues pruned to eliminate duplicates Z: 12 13.939 1.996 0.606 0.715 0.727 0.545 CB 1.483 12 residues pruned to eliminate duplicates Z: 18 11.867 1.961 0.205 0.386 0.941 0.471 CA 1.460 19 residues pruned to eliminate duplicates Z: 7 3.101 1.495 0.619 0.485 0.833 0.667 CA 0.637 7 residues pruned to eliminate duplicates Z: 18 10.591 1.921 0.187 0.330 0.941 0.529 CA 1.443 18 residues pruned to eliminate duplicates Z: 16 9.241 1.872 0.291 0.318 0.933 0.467 CA 1.294 16 residues pruned to eliminate duplicates Z: 13 12.512 2.069 0.256 0.396 1.000 0.500 CA 1.551 13 residues pruned to eliminate duplicates Z: 7 6.336 1.733 0.241 0.407 1.000 0.667 CA 1.326 7 residues pruned to eliminate duplicates Z: 14 11.680 1.994 0.261 0.363 0.923 0.615 CA 1.617 14 residues pruned to eliminate duplicates Z: 17 9.554 1.841 0.233 0.352 0.938 0.375 CA 1.318 17 residues pruned to eliminate duplicates Z: 17 11.437 1.881 0.438 0.347 0.938 0.438 CB 1.331 17 residues pruned to eliminate duplicates Z: 19 10.864 1.865 0.217 0.365 0.944 0.500 CB 1.381 19 residues pruned to eliminate duplicates Z: 20 10.168 1.784 0.277 0.349 0.895 0.421 CA 1.349 20 residues pruned to eliminate duplicates Z: 16 8.367 1.829 0.340 0.332 0.867 0.333 CA 1.223 16 residues pruned to eliminate duplicates 565 residues left after pruning, divided into chains as follows: A: 6 B: 9 C: 6 D: 13 E: 21 F: 8 G: 36 H: 10 I: 39 J: 7 K: 26 L: 86 M: 13 N: 201 O: 15 P: 11 Q: 23 R: 35 CC for partial structure against native data = 20.27 % ------------------------------------------------------------------------------ Global autotracing cycle 27 = 0.300, Contrast = 0.411, Connect. = 0.682 for dens.mod. cycle 1 = 0.300, Contrast = 0.472, Connect. = 0.701 for dens.mod. cycle 2 = 0.300, Contrast = 0.548, Connect. = 0.737 for dens.mod. cycle 3 = 0.300, Contrast = 0.555, Connect. = 0.742 for dens.mod. cycle 4 = 0.300, Contrast = 0.562, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.566, Connect. = 0.750 for dens.mod. cycle 6 = 0.300, Contrast = 0.570, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.572, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.574, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.574, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6869 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1211 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 38.684 2.278 0.706 0.915 1.000 0.750 CA 1.573 B: 20 34.134 2.302 0.543 0.892 1.000 0.947 CA 1.584 20 residues pruned to eliminate duplicates C: 24 14.980 1.893 0.451 0.388 0.870 0.348 N 1.472 D: 25 33.298 2.103 0.615 0.837 0.917 0.667 CB 1.633 25 residues pruned to eliminate duplicates E: 13 17.544 2.186 0.226 0.900 1.000 0.833 CB 1.349 F: 15 15.477 2.083 0.080 0.918 1.000 0.857 CB 1.297 15 residues pruned to eliminate duplicates G: 10 13.916 1.999 0.487 0.833 0.778 0.778 CA 1.506 H: 11 26.741 2.172 1.023 0.902 1.000 0.700 CB 1.373 I: 10 17.252 2.264 0.290 0.871 1.000 0.556 CB 1.436 9 residues pruned to eliminate duplicates J: 20 42.630 2.356 0.790 0.905 0.947 0.737 CB 1.742 20 residues pruned to eliminate duplicates K: 12 21.048 2.046 0.750 0.865 1.000 0.818 CB 1.298 11 residues pruned to eliminate duplicates L: 16 15.148 1.888 0.251 0.885 1.000 0.800 CA 1.195 M: 7 11.706 2.108 0.533 0.641 0.833 0.833 CB 1.555 N: 20 17.009 1.995 0.353 0.831 0.842 0.368 CB 1.289 13 residues pruned to eliminate duplicates O: 19 32.067 2.202 0.741 0.906 1.000 1.000 CA 1.402 19 residues pruned to eliminate duplicates P: 10 13.237 2.145 0.533 0.805 0.889 0.778 CB 1.157 10 residues pruned to eliminate duplicates Q: 19 17.783 2.021 0.242 0.916 0.944 0.722 CB 1.248 18 residues pruned to eliminate duplicates R: 19 13.482 2.267 0.447 0.334 0.778 0.556 CA 1.494 S: 9 4.740 1.664 0.051 0.519 0.750 0.625 CB 1.254 T: 11 13.624 1.994 0.288 0.873 0.900 0.700 CA 1.358 10 residues pruned to eliminate duplicates U: 10 18.641 2.200 0.981 0.822 1.000 0.667 CB 1.078 10 residues pruned to eliminate duplicates V: 12 6.236 1.834 0.290 0.418 0.727 0.364 CB 1.189 W: 24 11.085 1.972 0.239 0.432 0.783 0.478 CB 1.297 8 residues pruned to eliminate duplicates X: 11 10.194 1.999 -0.138 0.884 1.000 0.800 CB 1.351 Y: 20 15.653 1.898 0.326 0.853 0.895 0.684 CB 1.178 20 residues pruned to eliminate duplicates Z: 21 40.631 2.293 0.588 0.932 1.000 0.700 CB 1.743 21 residues pruned to eliminate duplicates Z: 21 48.468 2.323 0.843 0.939 1.000 0.950 CB 1.760 21 residues pruned to eliminate duplicates Z: 15 8.623 1.932 0.466 0.292 0.857 0.429 CB 1.198 Z: 8 7.848 1.733 0.371 0.616 0.857 0.714 CB 1.305 Z: 11 17.251 1.809 0.611 0.764 1.000 0.500 CA 1.481 Z: 12 17.453 1.930 0.527 0.855 0.909 0.636 CA 1.449 11 residues pruned to eliminate duplicates Z: 87 40.212 2.155 0.454 0.472 0.860 0.453 CA 1.655 45 residues pruned to eliminate duplicates Z: 39 22.894 2.100 0.498 0.473 0.868 0.500 CB 1.397 Z: 23 22.103 1.965 0.594 0.891 0.909 0.727 CA 1.189 16 residues pruned to eliminate duplicates Z: 13 17.013 2.091 0.333 0.889 1.000 0.833 CB 1.268 13 residues pruned to eliminate duplicates Z: 10 18.812 2.083 0.677 0.906 0.889 0.778 CB 1.436 11 residues pruned to eliminate duplicates Z: 11 18.673 1.992 0.559 0.864 0.900 0.900 CA 1.549 11 residues pruned to eliminate duplicates Z: 21 39.231 2.290 0.649 0.914 1.000 0.950 CA 1.643 21 residues pruned to eliminate duplicates Z: 6 5.260 1.842 0.537 0.327 0.800 0.400 CA 1.256 Z: 15 12.030 2.012 0.547 0.416 0.929 0.500 CB 1.214 15 residues pruned to eliminate duplicates Z: 13 13.446 1.994 0.550 0.626 0.833 0.417 CB 1.338 13 residues pruned to eliminate duplicates Z: 20 29.734 2.228 0.426 0.906 1.000 0.947 CB 1.527 20 residues pruned to eliminate duplicates Z: 11 17.269 2.025 0.695 0.809 0.900 0.500 CA 1.350 11 residues pruned to eliminate duplicates Z: 21 42.721 2.289 0.991 0.911 1.000 0.900 CA 1.485 32 residues pruned to eliminate duplicates Z: 10 7.744 2.152 0.114 0.430 0.889 0.667 CB 1.303 10 residues pruned to eliminate duplicates Z: 18 22.594 2.033 0.681 0.893 1.000 0.824 CA 1.151 18 residues pruned to eliminate duplicates Z: 22 44.902 2.226 1.054 0.877 0.952 0.524 CB 1.634 22 residues pruned to eliminate duplicates Z: 20 43.577 2.352 0.737 0.936 1.000 0.789 CB 1.704 20 residues pruned to eliminate duplicates Z: 17 9.305 1.881 0.468 0.340 0.688 0.375 CA 1.458 Z: 67 39.747 2.094 0.543 0.586 0.924 0.561 CA 1.509 47 residues pruned to eliminate duplicates Z: 27 20.592 2.220 0.440 0.395 0.923 0.500 CA 1.529 27 residues pruned to eliminate duplicates Z: 21 46.328 2.343 0.801 0.889 1.000 0.400 CB 1.767 21 residues pruned to eliminate duplicates Z: 6 4.465 1.647 0.474 0.457 1.000 0.400 CA 0.860 7 residues pruned to eliminate duplicates Z: 7 2.765 1.476 0.192 0.305 0.833 0.500 O 0.957 6 residues pruned to eliminate duplicates Z: 23 27.675 2.020 0.327 0.879 1.000 0.773 CA 1.596 10 residues pruned to eliminate duplicates Z: 7 7.440 2.229 0.223 0.724 0.667 0.500 CB 1.365 7 residues pruned to eliminate duplicates Z: 10 12.147 1.951 0.260 0.638 1.000 0.778 CB 1.447 Z: 11 15.133 1.823 0.528 0.858 0.900 0.900 CB 1.406 11 residues pruned to eliminate duplicates Z: 22 33.563 2.030 0.637 0.896 1.000 0.667 CA 1.579 22 residues pruned to eliminate duplicates Z: 22 38.364 2.238 0.710 0.902 1.000 0.667 CA 1.560 21 residues pruned to eliminate duplicates Z: 22 45.677 2.246 0.976 0.922 1.000 0.619 CB 1.579 22 residues pruned to eliminate duplicates Z: 22 29.060 2.015 0.361 0.907 1.000 0.905 CA 1.643 24 residues pruned to eliminate duplicates Z: 17 46.680 2.182 1.225 0.896 1.000 0.562 CA 1.722 17 residues pruned to eliminate duplicates Z: 12 7.463 1.949 0.427 0.380 0.727 0.455 CA 1.264 12 residues pruned to eliminate duplicates Z: 9 4.980 1.737 0.138 0.550 1.000 0.500 CB 0.849 Z: 20 27.490 2.020 0.409 0.873 1.000 0.842 CA 1.614 20 residues pruned to eliminate duplicates Z: 10 12.652 1.901 0.676 0.761 0.889 0.778 CA 1.181 10 residues pruned to eliminate duplicates Z: 21 28.818 2.006 0.506 0.887 1.000 0.800 CB 1.538 21 residues pruned to eliminate duplicates Z: 16 16.366 1.964 0.565 0.513 0.867 0.533 CA 1.567 16 residues pruned to eliminate duplicates Z: 23 38.434 2.063 0.773 0.897 1.000 0.773 CA 1.603 21 residues pruned to eliminate duplicates Z: 21 39.747 2.316 0.773 0.870 0.900 0.550 CB 1.755 21 residues pruned to eliminate duplicates Z: 10 8.191 1.824 0.115 0.608 0.778 0.556 CB 1.556 Z: 12 6.275 1.660 0.302 0.438 0.727 0.636 CB 1.283 9 residues pruned to eliminate duplicates Z: 47 28.860 2.121 0.340 0.480 0.891 0.609 CB 1.715 53 residues pruned to eliminate duplicates Z: 10 12.170 1.914 0.663 0.749 0.889 0.667 CA 1.149 10 residues pruned to eliminate duplicates Z: 18 14.001 2.055 0.280 0.438 0.941 0.647 CB 1.462 18 residues pruned to eliminate duplicates Z: 12 15.580 2.201 0.542 0.637 0.818 0.636 CB 1.488 13 residues pruned to eliminate duplicates Z: 17 30.789 2.120 0.671 0.881 0.938 0.688 CB 1.679 17 residues pruned to eliminate duplicates Z: 21 29.093 1.982 0.774 0.827 0.950 0.450 CB 1.468 21 residues pruned to eliminate duplicates Z: 43 31.855 2.037 0.627 0.677 0.905 0.452 CA 1.393 43 residues pruned to eliminate duplicates Z: 40 39.820 2.257 0.595 0.695 0.949 0.821 CA 1.563 31 residues pruned to eliminate duplicates Z: 10 16.610 1.907 0.477 0.824 1.000 0.667 CA 1.484 10 residues pruned to eliminate duplicates Z: 6 2.350 1.552 -0.172 0.431 0.800 0.400 CB 1.099 Z: 11 17.552 1.841 0.507 0.853 1.000 0.700 CA 1.479 11 residues pruned to eliminate duplicates Z: 12 12.658 2.016 0.172 0.677 1.000 0.727 CA 1.373 12 residues pruned to eliminate duplicates Z: 21 14.893 1.999 0.542 0.436 0.850 0.500 CB 1.358 21 residues pruned to eliminate duplicates Z: 20 40.570 2.272 0.768 0.908 1.000 0.474 CA 1.646 30 residues pruned to eliminate duplicates Z: 10 10.142 2.088 0.167 0.686 0.889 0.778 CB 1.316 10 residues pruned to eliminate duplicates 8 1.866 1.216 0.412 0.346 0.714 0.286 N 0.680 ? Z: 20 9.701 1.851 0.396 0.376 0.842 0.579 CB 1.167 Z: 17 16.626 2.062 0.465 0.377 1.000 0.562 CB 1.569 18 residues pruned to eliminate duplicates Z: 26 16.168 2.057 0.345 0.345 0.920 0.520 CB 1.503 26 residues pruned to eliminate duplicates Z: 7 4.893 1.859 -0.200 0.523 0.833 0.500 O 1.575 Z: 19 39.362 2.124 1.002 0.890 1.000 0.500 CB 1.570 19 residues pruned to eliminate duplicates Z: 16 12.833 1.840 0.426 0.441 0.933 0.533 CB 1.438 21 residues pruned to eliminate duplicates Z: 9 9.413 2.051 0.030 0.851 0.750 0.750 CA 1.555 10 residues pruned to eliminate duplicates Z: 14 10.603 2.013 0.461 0.580 0.769 0.462 CB 1.203 12 residues pruned to eliminate duplicates Z: 38 25.784 2.114 0.456 0.469 0.919 0.568 CB 1.547 39 residues pruned to eliminate duplicates Z: 22 32.878 2.008 0.877 0.907 0.952 0.286 CB 1.421 22 residues pruned to eliminate duplicates Z: 6 4.303 1.870 -0.241 0.621 0.800 0.600 CB 1.512 6 residues pruned to eliminate duplicates Z: 14 15.243 1.945 0.407 0.823 0.923 0.769 CB 1.265 14 residues pruned to eliminate duplicates Z: 17 31.327 2.245 0.597 0.847 1.000 0.625 CB 1.622 17 residues pruned to eliminate duplicates Z: 12 9.521 1.987 0.399 0.367 1.000 0.545 CB 1.192 13 residues pruned to eliminate duplicates Z: 58 44.837 2.248 0.751 0.568 0.912 0.386 CB 1.549 58 residues pruned to eliminate duplicates Z: 8 7.967 1.888 0.333 0.555 1.000 0.714 CB 1.135 8 residues pruned to eliminate duplicates Z: 43 28.607 2.080 0.515 0.495 0.905 0.524 CB 1.556 43 residues pruned to eliminate duplicates Z: 21 44.339 2.283 0.762 0.930 1.000 0.750 CB 1.723 21 residues pruned to eliminate duplicates Z: 70 50.438 2.216 0.710 0.581 0.957 0.536 CA 1.549 61 residues pruned to eliminate duplicates Z: 8 3.479 1.882 0.132 0.451 0.429 0.286 CB 1.515 Z: 15 5.622 1.761 -0.030 0.363 0.857 0.500 CB 1.190 15 residues pruned to eliminate duplicates Z: 7 5.736 1.998 0.217 0.545 0.833 0.500 CA 1.106 7 residues pruned to eliminate duplicates Z: 19 32.929 2.172 0.739 0.913 0.944 0.722 CB 1.540 19 residues pruned to eliminate duplicates Z: 18 8.656 1.870 0.292 0.346 0.824 0.588 CB 1.248 18 residues pruned to eliminate duplicates Z: 12 9.653 2.061 0.472 0.337 0.818 0.636 CB 1.402 14 residues pruned to eliminate duplicates Z: 20 17.785 2.045 0.370 0.493 0.947 0.526 CB 1.549 23 residues pruned to eliminate duplicates Z: 11 7.394 1.636 0.528 0.483 0.800 0.600 CB 1.189 Z: 18 11.341 2.021 0.228 0.416 0.941 0.588 CB 1.286 12 residues pruned to eliminate duplicates Z: 33 38.943 2.252 0.759 0.649 0.938 0.594 CA 1.613 33 residues pruned to eliminate duplicates Z: 16 10.207 1.794 0.476 0.345 0.733 0.400 CB 1.605 16 residues pruned to eliminate duplicates Z: 11 15.298 1.847 0.607 0.754 0.900 0.700 CA 1.445 13 residues pruned to eliminate duplicates Z: 60 24.488 1.960 0.401 0.549 0.814 0.458 CB 1.361 43 residues pruned to eliminate duplicates Z: 14 5.171 1.646 0.174 0.395 0.769 0.308 CB 1.079 14 residues pruned to eliminate duplicates Z: 22 37.407 2.213 0.802 0.888 0.952 0.762 CA 1.548 22 residues pruned to eliminate duplicates Z: 27 19.160 2.070 0.526 0.491 0.885 0.385 CB 1.357 27 residues pruned to eliminate duplicates Z: 23 14.893 1.987 0.346 0.503 0.955 0.591 CB 1.240 23 residues pruned to eliminate duplicates Z: 19 29.137 2.084 0.479 0.930 1.000 1.000 CA 1.558 19 residues pruned to eliminate duplicates Z: 15 8.159 1.857 -0.020 0.471 0.857 0.500 N 1.440 15 residues pruned to eliminate duplicates Z: 21 50.386 2.330 1.040 0.886 1.000 0.650 CA 1.711 21 residues pruned to eliminate duplicates Z: 13 10.134 1.912 0.460 0.417 0.833 0.583 CA 1.371 Z: 10 16.926 1.853 0.547 0.899 1.000 1.000 CB 1.408 10 residues pruned to eliminate duplicates Z: 35 17.216 2.028 0.459 0.348 0.794 0.412 CB 1.482 20 residues pruned to eliminate duplicates Z: 15 7.195 2.088 0.560 0.336 0.857 0.643 CA 0.824 14 residues pruned to eliminate duplicates Z: 15 11.438 1.811 0.326 0.497 1.000 0.786 CB 1.277 10 residues pruned to eliminate duplicates Z: 9 4.277 1.713 0.171 0.492 0.625 0.375 CB 1.215 Z: 41 23.102 2.045 0.384 0.437 0.925 0.500 CB 1.489 41 residues pruned to eliminate duplicates Z: 12 8.349 1.944 0.565 0.305 0.727 0.545 CB 1.413 12 residues pruned to eliminate duplicates Z: 26 18.108 2.029 0.341 0.393 0.920 0.560 N 1.620 31 residues pruned to eliminate duplicates Z: 21 21.912 1.989 0.636 0.878 0.850 0.500 CA 1.286 21 residues pruned to eliminate duplicates Z: 8 7.061 1.776 0.278 0.511 0.857 0.429 CA 1.356 Z: 19 9.277 1.861 0.189 0.319 0.833 0.667 CA 1.448 20 residues pruned to eliminate duplicates Z: 9 11.540 2.158 0.129 0.844 0.875 0.750 CA 1.425 9 residues pruned to eliminate duplicates Z: 34 41.235 2.188 0.802 0.674 0.970 0.727 CA 1.599 34 residues pruned to eliminate duplicates Z: 70 42.558 2.250 0.534 0.555 0.884 0.536 CA 1.591 70 residues pruned to eliminate duplicates Z: 7 10.429 2.040 0.129 0.577 1.000 0.667 CA 1.716 10 residues pruned to eliminate duplicates Z: 11 8.805 1.514 0.810 0.401 0.900 0.400 N 1.253 8 residues pruned to eliminate duplicates Z: 12 4.737 1.892 0.070 0.263 0.636 0.455 CA 1.454 10 residues pruned to eliminate duplicates Z: 12 8.862 1.868 0.395 0.404 0.909 0.636 CB 1.247 12 residues pruned to eliminate duplicates Z: 21 38.511 2.238 0.764 0.873 1.000 0.600 CB 1.588 21 residues pruned to eliminate duplicates Z: 11 8.291 1.898 0.251 0.332 0.900 0.500 CB 1.474 Z: 16 12.448 1.910 0.472 0.390 1.000 0.333 N 1.284 16 residues pruned to eliminate duplicates Z: 6 4.678 1.381 0.052 0.839 1.000 0.600 N 1.076 6 residues pruned to eliminate duplicates Z: 20 20.521 2.024 0.434 0.915 1.000 0.842 CA 1.146 20 residues pruned to eliminate duplicates Z: 8 6.808 1.711 0.488 0.342 0.857 0.714 CB 1.400 7 residues pruned to eliminate duplicates Z: 10 6.157 1.814 0.319 0.385 0.778 0.333 N 1.246 18 residues pruned to eliminate duplicates 7 1.761 1.593 -0.007 0.235 0.833 0.333 CB 0.742 ? Z: 21 12.909 1.984 0.356 0.413 0.850 0.300 CB 1.384 Z: 12 18.035 1.975 0.680 0.817 0.909 0.636 CA 1.369 12 residues pruned to eliminate duplicates Z: 11 21.724 2.127 0.686 0.880 1.000 0.700 CB 1.388 11 residues pruned to eliminate duplicates Z: 11 6.858 2.037 0.147 0.700 0.800 0.600 CB 0.967 11 residues pruned to eliminate duplicates Z: 35 42.473 2.258 0.768 0.652 0.941 0.412 CA 1.683 35 residues pruned to eliminate duplicates Z: 19 25.358 2.021 0.783 0.860 0.944 0.556 CA 1.292 19 residues pruned to eliminate duplicates Z: 17 19.039 2.117 0.496 0.864 0.875 0.312 CB 1.259 17 residues pruned to eliminate duplicates Z: 12 17.623 1.949 0.466 0.864 0.909 0.636 CB 1.501 12 residues pruned to eliminate duplicates Z: 17 20.491 2.140 0.486 0.866 0.750 0.438 CA 1.572 17 residues pruned to eliminate duplicates Z: 9 5.106 1.575 0.329 0.692 0.875 0.625 CB 0.828 Z: 11 18.499 2.141 0.780 0.897 0.800 0.400 CA 1.373 11 residues pruned to eliminate duplicates Z: 20 17.581 1.953 0.461 0.825 0.947 0.526 CB 1.126 20 residues pruned to eliminate duplicates Z: 8 7.871 1.831 0.441 0.561 0.857 0.571 CB 1.240 7 residues pruned to eliminate duplicates Z: 20 19.062 2.118 0.468 0.516 1.000 0.632 CB 1.385 20 residues pruned to eliminate duplicates Z: 26 19.794 1.936 0.558 0.450 0.920 0.520 CB 1.501 28 residues pruned to eliminate duplicates Z: 20 36.595 2.325 0.617 0.899 0.947 0.737 CB 1.684 20 residues pruned to eliminate duplicates Z: 8 4.063 1.691 0.140 0.320 0.857 0.429 N 1.133 Z: 22 39.370 2.202 0.882 0.914 0.952 0.857 CA 1.541 22 residues pruned to eliminate duplicates Z: 15 7.976 1.880 0.279 0.288 0.786 0.357 N 1.431 9 residues pruned to eliminate duplicates Z: 20 19.713 1.906 0.893 0.541 0.842 0.526 CA 1.430 17 residues pruned to eliminate duplicates Z: 6 5.358 1.553 1.185 0.407 0.600 0.400 CA 1.297 Z: 17 11.358 1.933 0.315 0.335 1.000 0.500 CB 1.339 16 residues pruned to eliminate duplicates Z: 16 10.529 1.725 0.311 0.353 1.000 0.467 N 1.409 16 residues pruned to eliminate duplicates Z: 10 6.996 1.892 0.296 0.443 0.778 0.444 CA 1.297 10 residues pruned to eliminate duplicates Z: 22 37.182 2.050 0.827 0.893 1.000 0.571 CA 1.556 22 residues pruned to eliminate duplicates Z: 12 15.389 2.104 0.091 0.888 1.000 0.909 CB 1.456 12 residues pruned to eliminate duplicates Z: 19 8.511 2.019 0.484 0.443 0.556 0.333 CB 1.278 19 residues pruned to eliminate duplicates Z: 71 48.467 2.208 0.699 0.543 0.914 0.471 CB 1.619 71 residues pruned to eliminate duplicates Z: 44 22.709 2.023 0.296 0.481 0.907 0.628 CB 1.484 44 residues pruned to eliminate duplicates Z: 15 8.582 1.898 0.220 0.388 0.786 0.500 CA 1.420 15 residues pruned to eliminate duplicates Z: 6 3.562 1.513 0.534 0.298 0.800 0.400 O 1.075 4 residues pruned to eliminate duplicates Z: 21 31.987 2.041 0.499 0.926 1.000 0.850 CA 1.639 23 residues pruned to eliminate duplicates Z: 13 31.846 1.970 1.206 0.896 1.000 0.917 CA 1.516 13 residues pruned to eliminate duplicates Z: 39 27.150 2.005 0.688 0.609 0.947 0.500 CA 1.239 39 residues pruned to eliminate duplicates Z: 21 9.927 1.930 0.100 0.417 0.900 0.500 CB 1.267 21 residues pruned to eliminate duplicates Z: 6 6.808 2.040 0.045 0.555 0.800 0.600 N 1.693 5 residues pruned to eliminate duplicates Z: 20 42.279 2.275 1.027 0.899 0.947 0.263 CB 1.587 20 residues pruned to eliminate duplicates Z: 37 27.995 2.115 0.501 0.499 0.944 0.528 CB 1.558 37 residues pruned to eliminate duplicates Z: 13 8.170 1.793 0.767 0.263 0.750 0.417 CA 1.301 13 residues pruned to eliminate duplicates Z: 52 39.024 2.165 0.555 0.611 0.922 0.569 CB 1.586 52 residues pruned to eliminate duplicates Z: 6 5.237 1.878 -0.414 0.743 1.000 0.800 N 1.712 5 residues pruned to eliminate duplicates Z: 16 9.523 2.042 0.148 0.289 0.800 0.533 CB 1.662 Z: 19 16.848 2.117 0.416 0.550 1.000 0.722 CB 1.262 19 residues pruned to eliminate duplicates Z: 15 9.408 1.744 0.278 0.405 0.929 0.571 CB 1.342 15 residues pruned to eliminate duplicates Z: 9 8.745 1.743 0.727 0.395 0.750 0.500 CB 1.530 9 residues pruned to eliminate duplicates Z: 15 12.848 2.032 0.561 0.349 0.929 0.643 CA 1.373 15 residues pruned to eliminate duplicates Z: 8 9.828 1.781 0.408 0.538 1.000 0.571 CB 1.427 8 residues pruned to eliminate duplicates Z: 15 10.064 1.902 0.431 0.541 0.857 0.429 CB 1.108 15 residues pruned to eliminate duplicates Z: 11 10.036 1.962 0.514 0.351 0.900 0.600 CB 1.395 11 residues pruned to eliminate duplicates Z: 11 11.451 1.973 0.698 0.408 0.800 0.500 CB 1.488 Z: 6 5.100 1.559 0.018 0.823 1.000 0.800 O 1.086 6 residues pruned to eliminate duplicates Z: 29 22.590 2.110 0.528 0.604 0.750 0.429 CB 1.600 29 residues pruned to eliminate duplicates Z: 25 15.474 2.066 0.241 0.440 0.875 0.542 CA 1.498 25 residues pruned to eliminate duplicates Z: 13 10.056 1.813 0.373 0.543 0.917 0.667 CB 1.220 11 residues pruned to eliminate duplicates Z: 9 16.882 1.950 0.688 0.890 0.875 0.625 CA 1.491 9 residues pruned to eliminate duplicates Z: 14 5.587 2.014 0.045 0.324 0.769 0.462 CB 1.162 9 residues pruned to eliminate duplicates Z: 17 22.900 2.099 0.388 0.912 1.000 0.875 CA 1.392 17 residues pruned to eliminate duplicates Z: 28 19.675 2.040 0.537 0.537 0.815 0.481 CB 1.430 28 residues pruned to eliminate duplicates Z: 39 35.685 2.170 0.677 0.604 0.974 0.605 CA 1.479 39 residues pruned to eliminate duplicates Z: 7 6.837 1.785 0.185 0.475 1.000 0.167 C 1.353 7 residues pruned to eliminate duplicates Z: 13 10.263 1.996 0.212 0.573 0.750 0.667 CB 1.521 13 residues pruned to eliminate duplicates Z: 24 23.338 2.110 0.617 0.385 0.957 0.565 CA 1.684 24 residues pruned to eliminate duplicates Z: 12 12.606 2.084 0.486 0.539 0.818 0.636 CA 1.444 12 residues pruned to eliminate duplicates Z: 14 4.857 1.520 0.199 0.395 0.769 0.538 CB 1.073 14 residues pruned to eliminate duplicates Z: 17 9.131 1.987 0.307 0.318 0.750 0.438 CB 1.434 14 residues pruned to eliminate duplicates Z: 20 22.531 2.006 0.799 0.889 0.895 0.632 CA 1.153 20 residues pruned to eliminate duplicates 7 1.429 1.555 -0.243 0.463 0.667 0.500 CB 0.772 ? Z: 12 8.608 1.807 0.328 0.484 0.818 0.455 CA 1.343 11 residues pruned to eliminate duplicates Z: 19 9.824 1.879 0.157 0.390 0.833 0.333 CA 1.435 19 residues pruned to eliminate duplicates Z: 25 12.773 1.937 0.387 0.402 0.792 0.458 CB 1.358 21 residues pruned to eliminate duplicates Z: 6 2.924 1.585 -0.311 0.617 1.000 0.600 CB 1.071 Z: 11 6.701 1.696 0.611 0.352 0.800 0.400 N 1.138 Z: 9 6.139 1.544 0.716 0.259 0.875 0.500 O 1.234 9 residues pruned to eliminate duplicates Z: 7 5.563 1.869 -0.100 0.475 1.000 0.167 N 1.385 5 residues pruned to eliminate duplicates Z: 6 2.820 1.846 -0.236 0.831 1.000 0.800 CB 0.672 Z: 21 13.558 1.942 0.276 0.376 0.900 0.550 CB 1.551 19 residues pruned to eliminate duplicates Z: 10 17.319 2.015 0.471 0.848 1.000 1.000 CA 1.445 10 residues pruned to eliminate duplicates 6 1.794 1.659 -0.149 0.381 0.600 0.400 N 1.075 ? Z: 11 9.699 2.073 0.614 0.429 0.800 0.400 CB 1.234 11 residues pruned to eliminate duplicates Z: 12 4.716 1.608 0.107 0.397 0.727 0.455 CB 1.224 Z: 13 5.606 1.787 0.099 0.324 0.750 0.500 CB 1.332 13 residues pruned to eliminate duplicates Z: 30 13.035 1.893 0.282 0.351 0.862 0.586 CB 1.360 30 residues pruned to eliminate duplicates Z: 20 15.269 1.918 0.680 0.430 0.895 0.579 CA 1.306 20 residues pruned to eliminate duplicates Z: 11 8.862 1.820 0.315 0.839 0.900 0.500 CB 0.972 11 residues pruned to eliminate duplicates Z: 16 11.596 1.982 0.537 0.392 1.000 0.533 CB 1.102 16 residues pruned to eliminate duplicates Z: 20 12.204 1.981 0.316 0.471 0.895 0.579 CB 1.236 20 residues pruned to eliminate duplicates Z: 17 7.019 1.979 0.294 0.280 0.625 0.375 CB 1.407 17 residues pruned to eliminate duplicates Z: 7 14.824 1.988 0.762 0.719 1.000 0.833 CA 1.418 7 residues pruned to eliminate duplicates Z: 23 11.180 1.823 0.231 0.364 0.864 0.545 CB 1.424 24 residues pruned to eliminate duplicates Z: 93 48.020 2.185 0.469 0.529 0.946 0.554 CB 1.603 93 residues pruned to eliminate duplicates Z: 7 4.036 1.719 0.282 0.351 0.667 0.333 CA 1.318 7 residues pruned to eliminate duplicates Z: 47 30.664 2.074 0.598 0.639 0.891 0.478 CB 1.343 47 residues pruned to eliminate duplicates Z: 14 10.617 1.808 0.428 0.485 1.000 0.615 CA 1.158 14 residues pruned to eliminate duplicates Z: 7 2.939 1.439 0.277 0.317 0.833 0.167 CB 0.959 Z: 14 10.361 1.971 0.509 0.341 0.923 0.538 CA 1.245 14 residues pruned to eliminate duplicates Z: 20 53.708 2.317 1.275 0.939 0.947 0.526 CB 1.714 20 residues pruned to eliminate duplicates Z: 11 7.485 1.810 0.731 0.411 0.700 0.500 CB 1.185 11 residues pruned to eliminate duplicates Z: 13 15.133 2.058 0.182 0.866 0.917 0.833 CA 1.434 13 residues pruned to eliminate duplicates Z: 22 16.268 1.983 0.460 0.433 0.905 0.619 N 1.453 22 residues pruned to eliminate duplicates Z: 8 3.398 1.627 0.048 0.356 0.714 0.571 CA 1.231 8 residues pruned to eliminate duplicates Z: 6 4.903 1.797 0.571 0.528 1.000 0.600 CB 0.756 6 residues pruned to eliminate duplicates Z: 21 12.471 1.967 0.151 0.393 0.900 0.350 CB 1.534 20 residues pruned to eliminate duplicates Z: 23 10.584 1.966 0.254 0.408 0.818 0.409 CB 1.232 23 residues pruned to eliminate duplicates Z: 8 3.868 1.711 0.176 0.414 0.714 0.429 CA 1.113 8 residues pruned to eliminate duplicates Z: 35 14.548 1.964 0.094 0.383 0.882 0.471 CA 1.491 35 residues pruned to eliminate duplicates Z: 13 9.163 2.036 0.448 0.458 0.833 0.583 CB 1.123 13 residues pruned to eliminate duplicates Z: 22 19.654 1.955 0.353 0.904 1.000 0.762 CA 1.155 22 residues pruned to eliminate duplicates Z: 17 8.349 1.738 0.642 0.367 0.688 0.375 CA 1.226 17 residues pruned to eliminate duplicates Z: 21 37.465 2.069 0.903 0.866 0.950 0.400 CB 1.640 20 residues pruned to eliminate duplicates Z: 16 12.681 1.937 0.346 0.487 0.933 0.467 CB 1.363 14 residues pruned to eliminate duplicates Z: 40 23.325 2.073 0.519 0.418 0.897 0.538 CA 1.441 40 residues pruned to eliminate duplicates Z: 8 5.409 1.825 0.109 0.361 0.857 0.429 CA 1.369 8 residues pruned to eliminate duplicates Z: 27 17.301 2.023 0.372 0.402 0.923 0.731 CA 1.469 27 residues pruned to eliminate duplicates Z: 39 16.730 1.886 0.246 0.377 0.868 0.526 CA 1.517 39 residues pruned to eliminate duplicates Z: 38 24.936 2.120 0.436 0.475 0.919 0.595 CA 1.503 38 residues pruned to eliminate duplicates Z: 6 4.878 1.646 0.285 0.604 0.800 0.600 O 1.168 Z: 6 2.191 1.474 -0.024 0.344 0.800 0.600 N 1.009 Z: 6 5.335 1.474 0.344 0.628 1.000 0.600 CB 1.067 6 residues pruned to eliminate duplicates Z: 11 15.378 1.989 0.604 0.758 0.900 0.700 CB 1.347 11 residues pruned to eliminate duplicates Z: 15 10.446 1.946 0.439 0.430 0.786 0.571 CB 1.364 12 residues pruned to eliminate duplicates Z: 16 7.865 1.915 0.205 0.287 0.800 0.467 CA 1.398 16 residues pruned to eliminate duplicates Z: 6 3.441 1.698 0.270 0.298 0.800 0.600 CB 1.119 6 residues pruned to eliminate duplicates Z: 11 6.511 1.607 0.651 0.546 0.900 0.600 CB 0.824 Z: 8 4.021 1.569 -0.066 0.474 0.857 0.571 CB 1.241 Z: 12 11.009 2.019 0.191 0.833 0.909 0.545 CB 1.139 12 residues pruned to eliminate duplicates Z: 25 15.686 2.038 0.336 0.370 0.917 0.500 CA 1.475 25 residues pruned to eliminate duplicates Z: 21 29.247 1.999 0.506 0.914 1.000 0.850 CA 1.536 21 residues pruned to eliminate duplicates Z: 6 2.832 1.379 0.685 0.756 0.800 0.600 N 0.542 Z: 12 14.025 2.076 0.679 0.836 0.636 0.182 CB 1.427 12 residues pruned to eliminate duplicates Z: 14 7.621 1.734 0.139 0.464 0.846 0.462 CA 1.312 14 residues pruned to eliminate duplicates Z: 14 11.606 1.923 0.505 0.373 0.846 0.462 CA 1.506 14 residues pruned to eliminate duplicates Z: 16 6.297 1.689 0.263 0.288 0.867 0.400 CB 1.116 13 residues pruned to eliminate duplicates Z: 26 35.995 2.013 0.791 0.805 0.960 0.640 CA 1.594 22 residues pruned to eliminate duplicates 7 1.706 1.626 0.080 0.329 0.833 0.667 CB 0.574 ? Z: 57 43.526 2.195 0.694 0.574 0.946 0.464 CB 1.539 57 residues pruned to eliminate duplicates Z: 19 18.067 1.955 0.355 0.803 0.944 0.722 CB 1.307 19 residues pruned to eliminate duplicates Z: 9 8.268 1.800 0.446 0.567 0.875 0.625 CA 1.203 9 residues pruned to eliminate duplicates Z: 16 11.864 1.883 0.209 0.454 0.933 0.467 CB 1.510 16 residues pruned to eliminate duplicates 6 1.600 1.162 0.288 0.284 0.800 0.600 CB 0.763 ? Z: 27 20.519 2.139 0.155 0.555 0.885 0.615 CA 1.745 27 residues pruned to eliminate duplicates Z: 14 13.594 1.942 0.631 0.843 0.769 0.538 CB 1.153 14 residues pruned to eliminate duplicates Z: 7 2.292 1.437 0.328 0.377 0.667 0.500 CA 0.839 7 residues pruned to eliminate duplicates Z: 35 15.542 1.892 0.191 0.388 0.912 0.559 CB 1.461 35 residues pruned to eliminate duplicates Z: 8 3.970 1.612 0.082 0.420 1.000 0.571 CB 0.936 8 residues pruned to eliminate duplicates Z: 11 10.508 1.968 0.432 0.343 0.900 0.300 CB 1.554 11 residues pruned to eliminate duplicates Z: 16 20.017 2.031 0.449 0.895 0.867 0.533 CB 1.453 16 residues pruned to eliminate duplicates Z: 9 9.664 1.861 0.524 0.563 0.875 0.750 CB 1.296 9 residues pruned to eliminate duplicates Z: 13 4.384 1.546 0.546 0.383 0.667 0.250 CB 0.899 Z: 8 3.902 1.530 0.602 0.290 0.714 0.429 CB 1.066 8 residues pruned to eliminate duplicates Z: 7 4.525 1.684 0.080 0.436 0.833 0.500 CA 1.302 7 residues pruned to eliminate duplicates Z: 6 4.135 1.755 0.414 0.647 1.000 0.800 CB 0.650 6 residues pruned to eliminate duplicates Z: 12 15.746 2.077 0.551 0.665 0.909 0.636 CB 1.391 12 residues pruned to eliminate duplicates Z: 7 4.500 1.678 0.427 0.499 0.667 0.500 CB 1.152 Z: 20 50.885 2.371 1.081 0.931 0.947 0.526 CB 1.744 20 residues pruned to eliminate duplicates Z: 17 24.864 2.075 0.795 0.926 0.938 0.812 CB 1.249 17 residues pruned to eliminate duplicates Z: 12 12.874 1.755 0.597 0.879 0.818 0.545 CB 1.228 12 residues pruned to eliminate duplicates Z: 6 6.208 2.036 0.326 0.401 0.800 0.400 CB 1.426 9 1.759 1.400 0.179 0.247 0.625 0.250 CB 0.808 ? Z: 50 40.458 2.197 0.660 0.607 0.918 0.612 CB 1.559 50 residues pruned to eliminate duplicates Z: 7 5.133 1.581 0.863 0.354 0.833 0.500 N 1.000 Z: 6 5.362 1.204 0.779 0.801 1.000 0.800 CA 0.860 Z: 6 2.207 1.684 0.125 0.342 1.000 0.200 CB 0.619 Z: 18 26.387 1.960 0.906 0.919 0.941 0.412 CB 1.283 18 residues pruned to eliminate duplicates Z: 6 6.470 1.837 0.696 0.321 0.800 0.400 CB 1.414 Z: 15 8.228 1.770 0.579 0.304 0.714 0.571 CA 1.370 21 residues pruned to eliminate duplicates Z: 37 21.195 2.016 0.449 0.512 0.889 0.500 CA 1.343 38 residues pruned to eliminate duplicates Z: 10 22.754 2.179 0.546 0.851 1.000 0.889 CB 1.667 10 residues pruned to eliminate duplicates Z: 8 5.410 1.900 0.558 0.314 0.714 0.286 CB 1.188 8 residues pruned to eliminate duplicates Z: 13 12.732 1.998 0.822 0.488 0.833 0.583 CA 1.226 13 residues pruned to eliminate duplicates Z: 6 3.272 1.531 0.684 0.454 0.800 0.600 CA 0.744 Z: 19 25.744 1.978 0.776 0.891 0.944 0.722 CB 1.315 19 residues pruned to eliminate duplicates Z: 39 20.749 2.093 0.332 0.408 0.868 0.526 CA 1.532 39 residues pruned to eliminate duplicates Z: 7 2.589 1.890 0.234 0.243 0.667 0.333 CB 0.915 7 residues pruned to eliminate duplicates Z: 45 36.385 2.159 0.502 0.642 0.932 0.682 CA 1.590 45 residues pruned to eliminate duplicates Z: 37 18.346 1.951 0.525 0.378 0.861 0.611 CA 1.359 37 residues pruned to eliminate duplicates Z: 6 6.699 1.976 0.389 0.422 0.800 0.400 CA 1.479 8 residues pruned to eliminate duplicates Z: 42 23.637 1.842 0.685 0.527 0.854 0.415 CB 1.357 42 residues pruned to eliminate duplicates Z: 6 2.145 1.497 0.114 0.548 0.600 0.400 N 0.915 Z: 12 10.271 2.050 0.572 0.476 0.818 0.636 CB 1.203 12 residues pruned to eliminate duplicates Z: 7 3.197 1.444 0.431 0.326 0.833 0.500 CB 0.917 Z: 6 3.544 1.466 0.686 0.291 0.800 0.600 O 1.013 Z: 15 8.601 1.686 0.347 0.397 1.000 0.571 CB 1.127 15 residues pruned to eliminate duplicates Z: 7 3.223 1.525 0.197 0.466 0.833 0.500 CB 0.896 Z: 9 7.076 1.873 0.059 0.617 0.750 0.500 CB 1.506 9 residues pruned to eliminate duplicates Z: 11 14.174 1.723 0.751 0.567 1.000 0.200 CA 1.392 11 residues pruned to eliminate duplicates Z: 9 5.107 1.728 0.974 0.368 0.625 0.500 CA 0.977 Z: 11 18.920 2.003 0.805 0.902 0.800 0.400 CA 1.476 11 residues pruned to eliminate duplicates Z: 8 4.260 1.575 0.230 0.448 0.857 0.571 CB 1.023 8 residues pruned to eliminate duplicates Z: 35 24.716 2.047 0.585 0.672 0.941 0.529 CA 1.185 35 residues pruned to eliminate duplicates Z: 12 13.401 2.018 -0.017 0.887 1.000 0.727 CA 1.469 12 residues pruned to eliminate duplicates Z: 14 11.437 1.883 0.593 0.491 0.846 0.615 CB 1.261 14 residues pruned to eliminate duplicates Z: 13 10.541 2.008 0.245 0.416 0.833 0.500 CA 1.594 13 residues pruned to eliminate duplicates Z: 15 6.482 1.920 0.099 0.423 0.714 0.643 CB 1.246 15 residues pruned to eliminate duplicates Z: 6 3.560 1.583 -0.093 0.719 1.000 1.000 N 0.909 7 residues pruned to eliminate duplicates Z: 8 5.850 1.738 0.207 0.479 0.857 0.714 N 1.257 8 residues pruned to eliminate duplicates Z: 10 3.590 1.481 0.573 0.269 0.667 0.222 CA 1.002 Z: 40 34.016 1.950 0.705 0.675 0.974 0.590 CB 1.431 53 residues pruned to eliminate duplicates Z: 6 2.685 1.354 0.199 0.620 0.800 0.400 CB 0.825 Z: 10 10.020 1.965 0.312 0.524 0.889 0.444 CB 1.423 10 residues pruned to eliminate duplicates Z: 9 2.913 1.507 0.063 0.340 0.750 0.375 CB 1.020 Z: 11 3.714 1.440 0.296 0.269 0.700 0.500 CB 1.170 Z: 10 6.445 1.562 0.486 0.528 0.889 0.667 N 1.013 Z: 22 18.264 1.873 0.394 0.837 1.000 0.667 CA 1.142 22 residues pruned to eliminate duplicates Z: 18 6.229 1.701 0.372 0.236 0.706 0.412 CB 1.246 18 residues pruned to eliminate duplicates 7 1.230 1.180 0.590 0.245 0.667 0.333 N 0.539 ? Z: 26 19.014 2.058 0.399 0.398 0.960 0.560 CA 1.532 26 residues pruned to eliminate duplicates Z: 10 10.466 1.972 0.131 0.852 1.000 0.778 CB 1.157 10 residues pruned to eliminate duplicates Z: 10 6.872 1.772 0.117 0.538 0.889 0.667 CA 1.255 10 residues pruned to eliminate duplicates Z: 10 4.372 1.513 0.123 0.378 0.889 0.667 CA 1.098 10 residues pruned to eliminate duplicates Z: 15 6.323 1.858 0.124 0.281 0.857 0.643 CA 1.209 15 residues pruned to eliminate duplicates Z: 9 7.572 1.895 0.338 0.410 0.750 0.375 CB 1.548 9 residues pruned to eliminate duplicates Z: 19 13.768 2.123 0.502 0.393 0.889 0.500 CA 1.281 19 residues pruned to eliminate duplicates Z: 9 17.647 1.801 0.629 0.889 1.000 0.875 O 1.530 9 residues pruned to eliminate duplicates Z: 10 5.150 1.667 0.123 0.401 0.889 0.667 CB 1.145 5 residues pruned to eliminate duplicates Z: 18 18.070 1.943 0.854 0.494 0.824 0.588 CA 1.487 18 residues pruned to eliminate duplicates Z: 24 12.825 1.941 0.461 0.376 0.957 0.435 CB 1.125 23 residues pruned to eliminate duplicates Z: 13 18.902 2.114 0.528 0.894 0.917 0.917 CB 1.322 13 residues pruned to eliminate duplicates Z: 59 45.959 2.178 0.787 0.581 0.897 0.517 CB 1.599 59 residues pruned to eliminate duplicates Z: 9 9.668 1.936 0.263 0.622 0.875 0.500 CB 1.424 9 residues pruned to eliminate duplicates Z: 18 18.431 2.089 0.247 0.616 0.941 0.824 CB 1.635 18 residues pruned to eliminate duplicates Z: 9 4.964 1.560 0.386 0.430 0.750 0.375 N 1.164 Z: 6 4.328 1.453 0.578 0.828 1.000 1.000 CB 0.636 6 residues pruned to eliminate duplicates Z: 17 22.142 2.138 0.543 0.602 0.938 0.750 CB 1.625 17 residues pruned to eliminate duplicates Z: 27 16.354 2.007 0.438 0.349 0.885 0.462 CA 1.479 27 residues pruned to eliminate duplicates Z: 10 10.009 1.925 0.258 0.603 0.889 0.667 N 1.405 10 residues pruned to eliminate duplicates Z: 12 9.161 1.816 0.426 0.379 1.000 0.636 CB 1.214 12 residues pruned to eliminate duplicates Z: 11 11.746 1.960 0.840 0.715 1.000 0.700 CB 0.847 11 residues pruned to eliminate duplicates Z: 21 43.022 2.244 1.006 0.906 0.950 0.650 CB 1.600 21 residues pruned to eliminate duplicates Z: 18 19.252 2.067 0.462 0.867 0.882 0.647 CB 1.281 18 residues pruned to eliminate duplicates Z: 27 10.045 1.927 0.260 0.361 0.808 0.308 CB 1.167 27 residues pruned to eliminate duplicates Z: 6 2.938 1.213 0.823 0.447 0.800 0.600 CB 0.784 Z: 15 16.781 2.051 0.174 0.834 1.000 0.643 CB 1.396 15 residues pruned to eliminate duplicates Z: 6 7.048 1.771 0.263 0.638 0.800 0.600 C 1.547 6 residues pruned to eliminate duplicates Z: 10 6.633 1.868 0.245 0.448 0.778 0.667 CB 1.289 10 residues pruned to eliminate duplicates Z: 7 3.771 1.544 1.083 0.410 0.500 0.333 N 1.052 Z: 25 17.068 2.008 0.353 0.395 0.958 0.583 CA 1.495 25 residues pruned to eliminate duplicates 6 1.936 1.199 -0.025 0.507 0.800 0.600 N 0.920 ? Z: 22 18.918 2.003 0.451 0.523 0.952 0.524 CB 1.458 22 residues pruned to eliminate duplicates Z: 8 8.811 1.762 0.408 0.540 0.857 0.857 CA 1.505 8 residues pruned to eliminate duplicates Z: 11 18.542 1.952 0.660 0.844 1.000 0.800 CA 1.346 11 residues pruned to eliminate duplicates Z: 21 25.962 2.004 0.398 0.882 1.000 0.850 CB 1.499 21 residues pruned to eliminate duplicates Z: 15 9.463 1.943 0.207 0.469 0.786 0.429 CB 1.416 15 residues pruned to eliminate duplicates Z: 6 6.381 1.671 0.463 0.772 0.800 0.400 N 1.147 Z: 8 3.722 1.582 0.479 0.354 0.714 0.714 CB 0.986 8 residues pruned to eliminate duplicates 6 1.803 1.581 0.095 0.100 0.800 0.600 N 0.970 ? 9 1.465 1.295 0.126 0.247 0.625 0.375 CB 0.761 ? Z: 50 51.036 2.217 0.837 0.658 0.980 0.510 CB 1.578 50 residues pruned to eliminate duplicates 8 1.845 1.378 0.063 0.353 0.857 0.429 CB 0.651 ? Z: 28 14.612 1.884 0.400 0.375 0.926 0.630 CA 1.316 28 residues pruned to eliminate duplicates Z: 6 2.232 1.146 0.601 0.444 1.000 0.400 CB 0.576 Z: 12 4.363 1.430 0.317 0.308 0.818 0.364 CB 1.057 Z: 20 9.680 1.915 0.013 0.359 0.842 0.526 CB 1.583 20 residues pruned to eliminate duplicates Z: 46 29.614 2.007 0.585 0.595 0.933 0.533 CA 1.358 46 residues pruned to eliminate duplicates Z: 14 11.674 1.826 0.677 0.683 0.846 0.385 CB 1.056 14 residues pruned to eliminate duplicates Z: 20 32.461 2.188 0.600 0.920 1.000 1.000 CA 1.498 20 residues pruned to eliminate duplicates Z: 10 9.507 1.824 0.263 0.546 0.889 0.556 CB 1.480 10 residues pruned to eliminate duplicates Z: 20 25.451 2.036 0.872 0.883 0.947 0.526 CA 1.169 20 residues pruned to eliminate duplicates Z: 11 6.959 1.995 0.398 0.353 0.800 0.400 CB 1.156 6 residues pruned to eliminate duplicates Z: 7 4.367 1.670 0.344 0.336 0.833 0.333 CB 1.141 7 residues pruned to eliminate duplicates Z: 16 17.372 1.935 0.550 0.469 1.000 0.600 CB 1.545 16 residues pruned to eliminate duplicates Z: 11 14.289 1.705 0.584 0.838 1.000 0.600 CB 1.250 11 residues pruned to eliminate duplicates Z: 9 5.182 1.746 0.147 0.268 0.875 0.500 CA 1.360 9 residues pruned to eliminate duplicates 8 1.904 1.365 0.403 0.164 0.571 0.143 C 0.990 ? Z: 11 3.856 1.717 0.205 0.181 0.700 0.300 CA 1.236 11 residues pruned to eliminate duplicates Z: 8 4.424 1.742 0.188 0.419 0.714 0.714 CB 1.231 8 residues pruned to eliminate duplicates Z: 9 2.951 1.401 0.349 0.264 0.875 0.250 C 0.825 Z: 8 6.424 1.596 0.415 0.448 0.857 0.714 CA 1.324 8 residues pruned to eliminate duplicates Z: 8 3.895 1.604 0.147 0.363 0.857 0.571 C 1.082 6 1.852 1.302 -0.207 0.444 1.000 0.600 N 0.850 ? Z: 29 13.371 1.933 0.385 0.288 0.893 0.429 CB 1.341 29 residues pruned to eliminate duplicates Z: 26 9.963 1.802 0.029 0.418 0.920 0.400 CB 1.272 26 residues pruned to eliminate duplicates Z: 10 7.514 1.832 0.391 0.362 0.778 0.556 CB 1.466 10 residues pruned to eliminate duplicates Z: 6 2.065 1.379 0.174 0.528 0.800 0.200 CB 0.693 Z: 21 23.787 1.931 0.659 0.927 1.000 0.900 CA 1.164 21 residues pruned to eliminate duplicates Z: 38 22.668 2.109 0.440 0.447 0.892 0.486 CA 1.453 38 residues pruned to eliminate duplicates Z: 24 16.458 2.055 0.466 0.561 0.870 0.565 CA 1.236 24 residues pruned to eliminate duplicates 6 1.318 1.637 -0.177 0.115 0.800 0.200 CB 0.889 ? Z: 6 3.630 1.446 0.518 0.388 0.800 0.800 CB 1.041 Z: 22 15.260 1.946 0.428 0.430 0.810 0.524 CB 1.592 22 residues pruned to eliminate duplicates Z: 15 11.776 1.945 0.601 0.372 0.786 0.429 CA 1.474 15 residues pruned to eliminate duplicates Z: 7 7.552 1.721 0.089 0.765 1.000 0.833 CB 1.301 Z: 11 4.823 1.696 0.351 0.307 0.800 0.500 CA 1.031 11 residues pruned to eliminate duplicates Z: 7 5.873 1.949 0.156 0.520 0.833 0.667 CA 1.251 7 residues pruned to eliminate duplicates Z: 7 3.976 1.315 0.668 0.410 1.000 0.500 CA 0.814 Z: 57 22.142 1.928 0.339 0.560 0.857 0.500 CB 1.261 57 residues pruned to eliminate duplicates Z: 70 35.046 2.075 0.470 0.528 0.913 0.609 CA 1.474 70 residues pruned to eliminate duplicates Z: 12 16.314 2.009 0.676 0.891 0.909 0.727 CB 1.155 12 residues pruned to eliminate duplicates Z: 6 3.495 1.633 0.223 0.376 0.800 0.600 CA 1.116 6 residues pruned to eliminate duplicates Z: 20 13.110 1.990 0.421 0.392 0.842 0.474 CB 1.416 20 residues pruned to eliminate duplicates Z: 13 5.915 1.846 0.152 0.324 0.750 0.417 CB 1.299 21 residues pruned to eliminate duplicates Z: 17 12.057 1.918 0.793 0.330 0.750 0.562 CB 1.408 17 residues pruned to eliminate duplicates Z: 51 30.761 2.110 0.435 0.622 0.860 0.540 CB 1.489 51 residues pruned to eliminate duplicates Z: 10 6.957 1.575 0.130 0.754 0.889 0.444 CB 1.169 10 residues pruned to eliminate duplicates Z: 11 7.938 2.043 0.535 0.341 0.700 0.400 CB 1.360 11 residues pruned to eliminate duplicates Z: 16 5.901 1.711 0.278 0.259 0.867 0.467 CB 1.059 16 residues pruned to eliminate duplicates Z: 11 9.677 2.026 0.510 0.328 0.900 0.600 CB 1.343 12 residues pruned to eliminate duplicates Z: 7 3.022 1.406 0.553 0.323 0.667 0.667 C 1.030 Z: 7 6.848 1.566 0.474 0.522 1.000 0.500 CB 1.185 Z: 38 34.469 2.046 0.643 0.673 1.000 0.541 CA 1.437 38 residues pruned to eliminate duplicates Z: 11 2.571 1.544 0.476 0.359 0.600 0.300 CB 0.692 11 residues pruned to eliminate duplicates Z: 6 7.741 1.378 1.114 0.637 1.000 0.600 CB 1.045 Z: 7 2.771 1.373 0.329 0.420 0.833 0.500 N 0.809 Z: 6 5.442 1.429 0.874 0.596 1.000 0.800 N 0.829 Z: 17 11.813 1.902 0.466 0.396 0.812 0.625 CA 1.456 17 residues pruned to eliminate duplicates Z: 11 9.435 2.000 0.168 0.440 1.000 0.700 CB 1.358 11 residues pruned to eliminate duplicates 6 1.413 1.012 0.407 0.721 0.600 0.600 O 0.606 ? Z: 11 3.422 1.686 0.270 0.453 0.600 0.400 CB 0.883 11 residues pruned to eliminate duplicates Z: 26 27.426 2.089 0.711 0.587 0.880 0.440 CA 1.605 25 residues pruned to eliminate duplicates Z: 14 9.406 1.804 0.523 0.286 0.923 0.462 CA 1.309 14 residues pruned to eliminate duplicates Z: 6 2.125 1.397 0.382 0.429 0.800 0.600 CB 0.662 Z: 12 10.921 2.020 0.271 0.844 0.909 0.636 CB 1.050 12 residues pruned to eliminate duplicates Z: 6 2.217 1.280 0.590 0.476 0.800 0.600 CB 0.624 Z: 7 2.821 1.767 0.239 0.386 0.667 0.500 CB 0.890 7 residues pruned to eliminate duplicates Z: 6 4.166 1.458 0.744 0.275 1.000 0.600 CB 0.945 Z: 11 10.518 1.734 0.428 0.807 0.900 0.400 CB 1.141 11 residues pruned to eliminate duplicates Z: 8 2.101 1.361 -0.012 0.367 0.714 0.429 CB 0.954 Z: 20 18.832 1.906 0.634 0.765 1.000 0.632 CA 1.096 20 residues pruned to eliminate duplicates 8 0.964 1.085 0.567 0.288 0.571 0.429 CB 0.476 ? Z: 15 8.869 1.940 0.142 0.309 0.857 0.500 CB 1.543 15 residues pruned to eliminate duplicates Z: 15 15.857 2.044 0.493 0.351 1.000 0.429 N 1.633 15 residues pruned to eliminate duplicates Z: 10 5.932 1.981 0.029 0.380 0.778 0.444 CB 1.416 10 residues pruned to eliminate duplicates 9 1.470 1.333 0.438 0.275 0.500 0.250 CA 0.699 ? Z: 6 3.909 1.541 0.379 0.215 1.000 0.400 O 1.150 6 residues pruned to eliminate duplicates Z: 7 8.935 1.743 0.509 0.807 0.833 0.333 N 1.273 6 residues pruned to eliminate duplicates Z: 11 4.321 1.384 0.192 0.409 0.900 0.600 CB 1.013 Z: 12 13.012 2.124 0.423 0.636 0.818 0.818 CB 1.397 12 residues pruned to eliminate duplicates Z: 8 11.934 1.906 0.642 0.723 1.000 0.857 CB 1.178 8 residues pruned to eliminate duplicates Z: 6 4.081 1.600 0.058 0.827 0.800 0.600 CA 1.015 Z: 6 5.472 1.466 0.732 0.604 1.000 0.800 C 0.873 Z: 16 7.477 1.648 0.376 0.444 0.800 0.467 CB 1.127 16 residues pruned to eliminate duplicates Z: 7 4.521 1.677 0.280 0.385 1.000 0.667 CB 0.971 Z: 46 20.904 1.996 0.494 0.359 0.822 0.400 CA 1.480 46 residues pruned to eliminate duplicates Z: 7 3.124 1.561 -0.038 0.395 1.000 0.500 CB 0.949 Z: 7 3.021 1.333 0.072 0.420 1.000 0.500 N 0.938 4 residues pruned to eliminate duplicates Z: 47 20.125 1.990 0.529 0.426 0.783 0.435 CB 1.346 47 residues pruned to eliminate duplicates Z: 7 2.547 1.549 0.886 0.109 0.667 0.167 N 0.877 6 1.248 0.993 0.859 0.334 0.600 0.400 N 0.604 ? Z: 14 4.560 1.535 0.172 0.329 0.846 0.308 CB 1.002 Z: 8 3.320 1.739 0.185 0.329 0.714 0.429 CA 1.029 8 residues pruned to eliminate duplicates Z: 25 12.975 1.758 0.490 0.502 0.833 0.667 CB 1.211 25 residues pruned to eliminate duplicates Z: 15 6.083 1.687 0.301 0.392 0.643 0.357 CB 1.291 15 residues pruned to eliminate duplicates Z: 27 16.203 2.067 0.405 0.393 0.885 0.615 CA 1.386 27 residues pruned to eliminate duplicates Z: 8 7.111 1.741 0.347 0.536 1.000 0.571 N 1.106 8 residues pruned to eliminate duplicates Z: 32 22.059 1.946 0.460 0.666 0.871 0.452 CB 1.373 32 residues pruned to eliminate duplicates Z: 11 7.043 1.889 -0.169 0.425 1.000 0.500 N 1.533 11 residues pruned to eliminate duplicates Z: 12 9.390 1.837 0.310 0.549 0.909 0.545 CA 1.234 12 residues pruned to eliminate duplicates Z: 22 10.689 1.943 0.327 0.437 0.762 0.524 CB 1.268 22 residues pruned to eliminate duplicates Z: 8 4.652 1.500 0.232 0.449 1.000 0.714 CB 1.004 Z: 6 4.716 1.553 0.473 0.471 0.800 0.400 N 1.186 Using tripeptides from previous cycle as seeds Z: 8 8.406 1.755 0.718 0.597 0.714 0.571 CB 1.345 8 residues pruned to eliminate duplicates Z: 11 6.931 1.629 0.809 0.336 0.700 0.700 CB 1.271 11 residues pruned to eliminate duplicates Z: 22 9.392 1.916 0.337 0.289 0.762 0.524 CB 1.331 22 residues pruned to eliminate duplicates Z: 6 3.796 1.652 0.437 0.316 1.000 0.600 CA 0.876 6 residues pruned to eliminate duplicates Z: 7 3.496 1.611 0.541 0.425 0.667 0.167 CA 0.933 7 residues pruned to eliminate duplicates Z: 13 10.168 1.996 0.220 0.333 1.000 0.417 CB 1.447 13 residues pruned to eliminate duplicates Z: 14 5.705 1.872 0.277 0.236 0.846 0.231 CB 1.063 14 residues pruned to eliminate duplicates Z: 14 10.350 1.972 0.405 0.290 0.923 0.385 CB 1.421 14 residues pruned to eliminate duplicates Z: 16 9.157 1.944 0.254 0.290 0.867 0.267 CB 1.416 16 residues pruned to eliminate duplicates Z: 14 9.979 1.918 0.286 0.332 1.000 0.385 CB 1.350 14 residues pruned to eliminate duplicates Z: 18 10.938 1.860 0.394 0.355 1.000 0.294 CB 1.197 18 residues pruned to eliminate duplicates Z: 16 8.880 1.887 0.377 0.317 0.800 0.467 CB 1.350 16 residues pruned to eliminate duplicates Z: 11 6.167 1.976 0.166 0.446 0.700 0.500 CB 1.279 11 residues pruned to eliminate duplicates Z: 12 10.003 2.053 0.261 0.438 1.000 0.364 CB 1.241 12 residues pruned to eliminate duplicates Z: 13 7.726 1.892 0.302 0.317 0.833 0.500 CB 1.331 13 residues pruned to eliminate duplicates Z: 25 10.559 1.863 0.349 0.279 0.833 0.500 CB 1.322 35 residues pruned to eliminate duplicates Z: 7 3.500 1.451 0.544 0.302 1.000 0.333 N 0.795 7 residues pruned to eliminate duplicates Z: 23 14.903 2.059 0.504 0.436 0.864 0.591 CB 1.269 23 residues pruned to eliminate duplicates Z: 22 12.441 2.032 0.356 0.418 0.857 0.381 CB 1.252 22 residues pruned to eliminate duplicates Z: 23 15.051 2.052 0.467 0.453 0.909 0.591 CB 1.231 23 residues pruned to eliminate duplicates Z: 22 17.222 2.089 0.325 0.483 0.952 0.524 CB 1.449 23 residues pruned to eliminate duplicates Z: 8 9.863 1.931 0.402 0.560 0.857 0.429 CB 1.516 8 residues pruned to eliminate duplicates Z: 8 10.563 1.975 0.426 0.531 1.000 0.429 CB 1.374 8 residues pruned to eliminate duplicates Z: 8 12.298 2.012 0.558 0.518 1.000 0.286 CB 1.457 8 residues pruned to eliminate duplicates Z: 8 7.837 1.986 0.338 0.546 0.714 0.429 CB 1.492 8 residues pruned to eliminate duplicates Z: 8 14.029 1.957 0.736 0.558 1.000 0.429 CB 1.476 8 residues pruned to eliminate duplicates Z: 8 10.241 1.791 0.402 0.602 1.000 0.714 CB 1.399 8 residues pruned to eliminate duplicates Z: 8 4.764 1.617 0.409 0.407 0.714 0.429 CA 1.220 8 residues pruned to eliminate duplicates Z: 17 10.240 1.780 0.407 0.359 1.000 0.562 CB 1.190 17 residues pruned to eliminate duplicates Z: 15 7.625 1.630 0.410 0.385 0.929 0.786 CA 1.080 15 residues pruned to eliminate duplicates Z: 12 12.135 1.953 0.368 0.520 1.000 0.818 CA 1.342 12 residues pruned to eliminate duplicates Z: 15 10.047 1.760 0.345 0.452 1.000 0.929 CA 1.192 15 residues pruned to eliminate duplicates Z: 16 9.775 1.771 0.558 0.382 0.933 0.533 CA 1.112 16 residues pruned to eliminate duplicates Z: 17 8.250 1.759 0.437 0.341 0.875 0.562 CA 1.109 17 residues pruned to eliminate duplicates Z: 16 9.929 1.793 0.359 0.347 1.000 0.533 CA 1.242 16 residues pruned to eliminate duplicates Z: 17 12.112 1.864 0.342 0.397 0.938 0.625 CB 1.440 17 residues pruned to eliminate duplicates Z: 16 8.911 1.826 0.437 0.362 1.000 0.600 CA 1.018 14 residues pruned to eliminate duplicates Z: 7 4.495 1.513 0.490 0.325 1.000 0.667 CA 0.987 7 residues pruned to eliminate duplicates Z: 19 11.598 2.025 0.136 0.368 0.889 0.444 CB 1.539 19 residues pruned to eliminate duplicates Z: 7 4.565 1.652 0.307 0.353 0.833 0.333 CA 1.214 7 residues pruned to eliminate duplicates Z: 12 6.791 2.009 0.337 0.245 0.636 0.273 CB 1.608 12 residues pruned to eliminate duplicates Z: 19 12.856 2.022 0.315 0.341 0.889 0.389 CB 1.525 19 residues pruned to eliminate duplicates Z: 41 14.376 1.844 0.221 0.341 0.875 0.400 CB 1.372 41 residues pruned to eliminate duplicates Z: 25 10.056 1.913 0.035 0.310 0.875 0.333 CB 1.462 32 residues pruned to eliminate duplicates Z: 6 4.885 1.423 0.694 0.417 1.000 0.000 CB 0.988 6 residues pruned to eliminate duplicates Z: 23 10.115 1.914 0.125 0.334 0.864 0.318 CB 1.391 23 residues pruned to eliminate duplicates Z: 22 11.161 1.926 0.077 0.315 0.905 0.381 CB 1.593 22 residues pruned to eliminate duplicates 6 0.832 1.549 0.693 0.238 0.600 0.400 CB 0.320 ? Z: 11 7.901 1.823 0.230 0.468 0.900 0.600 CB 1.279 12 residues pruned to eliminate duplicates Z: 6 9.090 1.836 0.078 0.861 1.000 0.800 CA 1.509 8 residues pruned to eliminate duplicates Z: 6 8.436 1.766 0.259 0.737 1.000 0.600 CA 1.373 6 residues pruned to eliminate duplicates Z: 9 6.777 1.763 -0.003 0.613 1.000 0.625 CB 1.225 7 residues pruned to eliminate duplicates Z: 8 8.626 1.665 0.215 0.610 1.000 0.714 CB 1.452 8 residues pruned to eliminate duplicates Z: 41 17.649 1.994 0.435 0.347 0.800 0.450 CA 1.439 40 residues pruned to eliminate duplicates Z: 8 8.595 1.775 0.737 0.464 0.857 0.429 CA 1.275 8 residues pruned to eliminate duplicates Z: 28 19.617 2.016 0.370 0.400 1.000 0.593 CA 1.518 28 residues pruned to eliminate duplicates Z: 6 6.242 1.644 0.868 0.742 0.800 0.600 CA 0.914 6 residues pruned to eliminate duplicates Z: 39 28.169 2.146 0.538 0.476 0.921 0.553 CB 1.541 39 residues pruned to eliminate duplicates Z: 8 6.085 1.988 0.524 0.357 0.857 0.571 CA 1.033 8 residues pruned to eliminate duplicates Z: 38 23.627 2.158 0.427 0.437 0.865 0.622 CA 1.558 38 residues pruned to eliminate duplicates Z: 7 4.357 1.855 0.371 0.315 0.667 0.333 CA 1.288 7 residues pruned to eliminate duplicates Z: 26 18.748 2.058 0.365 0.395 0.960 0.600 CA 1.553 25 residues pruned to eliminate duplicates Z: 6 5.888 1.781 0.696 0.629 0.600 0.200 CA 1.287 6 residues pruned to eliminate duplicates Z: 27 20.893 2.090 0.500 0.407 0.962 0.538 CA 1.499 27 residues pruned to eliminate duplicates Z: 39 23.663 2.102 0.499 0.416 0.895 0.553 CA 1.487 39 residues pruned to eliminate duplicates Z: 26 17.991 2.072 0.502 0.400 0.920 0.600 CA 1.397 26 residues pruned to eliminate duplicates Z: 44 22.638 2.069 0.402 0.420 0.860 0.535 CB 1.504 44 residues pruned to eliminate duplicates Z: 37 23.332 2.169 0.429 0.450 0.861 0.528 CA 1.533 37 residues pruned to eliminate duplicates Z: 41 21.189 2.034 0.426 0.419 0.850 0.500 CA 1.478 41 residues pruned to eliminate duplicates Z: 38 27.543 2.168 0.489 0.452 0.919 0.541 CA 1.602 39 residues pruned to eliminate duplicates Z: 6 3.269 1.644 0.121 0.394 0.800 0.600 CA 1.110 6 residues pruned to eliminate duplicates Z: 15 12.300 2.022 0.485 0.520 0.929 0.500 CB 1.156 15 residues pruned to eliminate duplicates Z: 12 16.109 2.157 0.421 0.682 1.000 0.545 CB 1.341 12 residues pruned to eliminate duplicates Z: 12 16.873 2.223 0.456 0.704 0.909 0.727 CB 1.435 12 residues pruned to eliminate duplicates Z: 22 8.056 1.832 0.406 0.418 0.714 0.429 CB 1.041 22 residues pruned to eliminate duplicates Z: 14 13.341 1.987 0.558 0.625 0.846 0.462 CB 1.256 14 residues pruned to eliminate duplicates Z: 9 10.720 1.822 0.573 0.772 0.750 0.500 CB 1.387 7 residues pruned to eliminate duplicates Z: 9 12.688 1.911 0.440 0.756 0.875 0.125 CB 1.484 9 residues pruned to eliminate duplicates Z: 6 5.253 1.465 0.518 0.768 0.800 0.200 CA 1.041 6 residues pruned to eliminate duplicates Z: 11 13.073 1.740 0.544 0.780 0.900 0.300 CB 1.336 9 residues pruned to eliminate duplicates 6 1.352 1.328 0.426 0.218 0.600 0.600 C 0.741 ? Z: 6 5.112 1.740 0.365 0.488 1.000 0.400 CA 0.973 6 residues pruned to eliminate duplicates Z: 29 16.023 1.886 0.469 0.393 0.821 0.393 N 1.490 29 residues pruned to eliminate duplicates Z: 24 17.810 2.045 0.493 0.371 0.870 0.478 N 1.605 25 residues pruned to eliminate duplicates Z: 8 5.666 1.723 0.284 0.505 0.857 0.714 N 1.123 8 residues pruned to eliminate duplicates Z: 23 17.223 1.914 0.509 0.415 0.864 0.500 CB 1.608 21 residues pruned to eliminate duplicates Z: 6 4.922 1.843 0.620 0.798 0.800 0.600 N 0.710 6 residues pruned to eliminate duplicates Z: 22 18.007 1.970 0.623 0.404 0.905 0.571 CB 1.503 24 residues pruned to eliminate duplicates Z: 7 7.101 1.853 0.994 0.541 0.833 0.500 N 0.905 7 residues pruned to eliminate duplicates Z: 23 15.407 1.950 0.585 0.340 0.909 0.455 N 1.391 23 residues pruned to eliminate duplicates Z: 23 15.058 1.911 0.448 0.346 0.909 0.500 N 1.508 23 residues pruned to eliminate duplicates Z: 16 13.679 2.015 0.427 0.421 0.933 0.733 N 1.429 15 residues pruned to eliminate duplicates Z: 9 2.340 1.339 -0.088 0.442 0.875 0.375 CB 0.822 8 residues pruned to eliminate duplicates Z: 6 4.433 1.914 0.095 0.188 1.000 0.200 N 1.376 6 residues pruned to eliminate duplicates Z: 22 12.841 1.974 0.245 0.392 0.905 0.381 CA 1.412 22 residues pruned to eliminate duplicates Z: 22 14.026 1.991 0.337 0.407 0.952 0.381 CB 1.332 22 residues pruned to eliminate duplicates Z: 24 12.130 1.929 0.260 0.358 0.870 0.348 CB 1.395 24 residues pruned to eliminate duplicates Z: 21 15.034 1.998 0.377 0.396 0.950 0.250 CA 1.435 21 residues pruned to eliminate duplicates Z: 60 38.559 2.097 0.451 0.639 0.949 0.593 CA 1.526 60 residues pruned to eliminate duplicates Z: 45 26.373 2.038 0.449 0.569 0.955 0.659 CA 1.320 45 residues pruned to eliminate duplicates Z: 46 25.674 2.032 0.384 0.557 0.978 0.733 CA 1.316 46 residues pruned to eliminate duplicates Z: 27 12.681 1.838 0.532 0.356 0.808 0.423 CA 1.277 27 residues pruned to eliminate duplicates Z: 51 25.937 2.063 0.302 0.552 0.920 0.580 CA 1.411 51 residues pruned to eliminate duplicates Z: 19 12.505 1.950 0.371 0.413 0.944 0.500 CB 1.279 19 residues pruned to eliminate duplicates Z: 39 24.224 2.034 0.374 0.580 0.947 0.553 CA 1.374 39 residues pruned to eliminate duplicates Z: 23 14.400 1.895 0.483 0.377 0.909 0.500 CA 1.371 23 residues pruned to eliminate duplicates Z: 21 17.250 2.010 0.586 0.396 0.900 0.500 CA 1.501 21 residues pruned to eliminate duplicates Z: 35 25.631 2.103 0.446 0.625 0.941 0.647 CA 1.365 35 residues pruned to eliminate duplicates Z: 25 16.540 2.094 0.418 0.456 0.833 0.458 CB 1.428 25 residues pruned to eliminate duplicates Z: 25 16.873 2.059 0.477 0.433 0.875 0.542 CB 1.387 25 residues pruned to eliminate duplicates Z: 86 41.446 2.094 0.430 0.549 0.953 0.612 CA 1.502 86 residues pruned to eliminate duplicates Z: 50 25.355 1.981 0.424 0.536 0.959 0.571 CA 1.292 50 residues pruned to eliminate duplicates Z: 41 32.867 2.128 0.422 0.705 1.000 0.550 CA 1.425 41 residues pruned to eliminate duplicates Z: 54 36.183 2.100 0.506 0.599 0.981 0.585 CA 1.457 54 residues pruned to eliminate duplicates Z: 20 17.512 1.948 0.643 0.714 0.895 0.474 CA 1.155 20 residues pruned to eliminate duplicates Z: 43 32.595 2.069 0.527 0.668 1.000 0.595 CA 1.363 43 residues pruned to eliminate duplicates Z: 38 29.265 2.023 0.624 0.689 0.946 0.595 CA 1.302 38 residues pruned to eliminate duplicates Z: 26 20.134 2.025 0.484 0.666 0.960 0.480 CA 1.197 26 residues pruned to eliminate duplicates Z: 61 38.501 2.104 0.483 0.573 0.967 0.550 CA 1.537 61 residues pruned to eliminate duplicates Z: 66 40.107 2.113 0.548 0.586 0.938 0.538 CA 1.492 66 residues pruned to eliminate duplicates Z: 20 16.778 1.881 0.841 0.641 1.000 0.737 CA 0.974 20 residues pruned to eliminate duplicates Z: 64 37.761 2.096 0.501 0.575 0.921 0.540 CA 1.528 64 residues pruned to eliminate duplicates Z: 21 15.582 1.945 0.694 0.612 0.900 0.450 CA 1.057 21 residues pruned to eliminate duplicates Z: 44 30.377 2.050 0.584 0.624 0.930 0.581 CA 1.364 44 residues pruned to eliminate duplicates Z: 19 21.686 1.944 0.841 0.757 0.944 0.722 CA 1.203 19 residues pruned to eliminate duplicates Z: 63 33.847 2.039 0.457 0.563 0.919 0.629 CA 1.481 63 residues pruned to eliminate duplicates Z: 48 29.109 2.043 0.519 0.579 0.936 0.468 CA 1.355 48 residues pruned to eliminate duplicates Z: 59 32.854 2.033 0.420 0.564 0.931 0.552 CA 1.509 59 residues pruned to eliminate duplicates Z: 19 16.525 1.953 0.637 0.665 0.944 0.556 CA 1.107 19 residues pruned to eliminate duplicates Z: 19 15.546 2.011 0.589 0.675 0.889 0.444 CA 1.099 19 residues pruned to eliminate duplicates Z: 19 16.909 2.028 0.660 0.653 0.889 0.389 CA 1.155 19 residues pruned to eliminate duplicates Z: 34 27.854 2.019 0.529 0.684 0.970 0.667 CA 1.368 34 residues pruned to eliminate duplicates Z: 35 32.553 2.108 0.558 0.721 0.971 0.706 CA 1.434 35 residues pruned to eliminate duplicates Z: 64 36.547 2.072 0.569 0.551 0.968 0.540 CA 1.391 66 residues pruned to eliminate duplicates Z: 9 13.631 2.123 0.488 0.638 1.000 0.625 CB 1.341 9 residues pruned to eliminate duplicates Z: 38 27.581 2.050 0.546 0.700 0.946 0.568 CA 1.261 38 residues pruned to eliminate duplicates Z: 47 30.513 2.069 0.570 0.626 0.891 0.630 CA 1.380 47 residues pruned to eliminate duplicates Z: 87 43.857 2.065 0.592 0.551 0.930 0.640 CB 1.472 87 residues pruned to eliminate duplicates Z: 24 18.540 1.988 0.584 0.630 0.913 0.435 CA 1.190 24 residues pruned to eliminate duplicates Z: 62 39.738 2.104 0.652 0.580 0.902 0.574 CA 1.503 62 residues pruned to eliminate duplicates Z: 47 31.923 2.076 0.593 0.622 0.978 0.522 CA 1.297 47 residues pruned to eliminate duplicates Z: 42 29.371 2.049 0.609 0.623 0.902 0.488 CA 1.373 42 residues pruned to eliminate duplicates Z: 46 35.054 2.121 0.549 0.657 0.978 0.600 CA 1.406 46 residues pruned to eliminate duplicates Z: 60 41.502 2.127 0.620 0.569 0.966 0.627 CA 1.517 60 residues pruned to eliminate duplicates Z: 13 22.225 2.021 0.772 0.794 1.000 0.750 CB 1.385 13 residues pruned to eliminate duplicates Z: 68 45.135 2.097 0.627 0.606 0.955 0.597 CA 1.531 67 residues pruned to eliminate duplicates Z: 12 8.972 1.777 0.934 0.644 0.636 0.273 CB 1.081 12 residues pruned to eliminate duplicates Z: 63 38.049 2.088 0.574 0.564 0.919 0.500 CA 1.503 63 residues pruned to eliminate duplicates Z: 61 39.008 2.105 0.619 0.560 0.900 0.500 CA 1.549 62 residues pruned to eliminate duplicates Z: 6 3.186 1.495 0.957 0.263 0.800 0.600 CA 0.798 6 residues pruned to eliminate duplicates Z: 58 36.560 2.065 0.625 0.538 0.912 0.456 CA 1.525 58 residues pruned to eliminate duplicates Z: 46 28.505 2.105 0.519 0.483 0.889 0.511 CB 1.521 46 residues pruned to eliminate duplicates Z: 68 41.492 2.084 0.608 0.578 0.910 0.567 CB 1.542 68 residues pruned to eliminate duplicates Z: 40 27.026 2.126 0.532 0.464 0.897 0.564 CB 1.536 40 residues pruned to eliminate duplicates Z: 25 18.178 2.079 0.398 0.440 0.833 0.500 CB 1.629 25 residues pruned to eliminate duplicates Z: 40 27.211 2.119 0.400 0.486 0.949 0.641 CB 1.570 40 residues pruned to eliminate duplicates Z: 67 36.346 2.105 0.488 0.568 0.924 0.470 CA 1.446 67 residues pruned to eliminate duplicates Z: 32 24.252 2.111 0.523 0.429 0.935 0.581 CB 1.559 32 residues pruned to eliminate duplicates Z: 17 14.937 2.151 0.407 0.393 0.812 0.438 CA 1.701 17 residues pruned to eliminate duplicates Z: 66 43.187 2.120 0.700 0.594 0.938 0.554 CA 1.449 66 residues pruned to eliminate duplicates Z: 19 11.407 1.951 0.359 0.306 0.833 0.444 CB 1.510 19 residues pruned to eliminate duplicates Z: 61 37.652 2.124 0.568 0.591 0.900 0.533 CA 1.486 61 residues pruned to eliminate duplicates Z: 24 21.273 2.106 0.472 0.461 0.913 0.609 CB 1.630 24 residues pruned to eliminate duplicates Z: 24 21.392 2.126 0.573 0.455 0.870 0.609 CA 1.606 24 residues pruned to eliminate duplicates Z: 25 18.461 2.057 0.504 0.450 0.833 0.583 CB 1.538 25 residues pruned to eliminate duplicates Z: 45 29.893 2.126 0.430 0.524 0.909 0.636 CB 1.593 45 residues pruned to eliminate duplicates Z: 66 36.289 2.118 0.463 0.594 0.938 0.585 CA 1.416 66 residues pruned to eliminate duplicates Z: 16 14.452 2.028 0.486 0.537 0.800 0.667 CB 1.492 15 residues pruned to eliminate duplicates Z: 11 16.461 1.830 0.532 0.840 1.000 0.700 CB 1.385 11 residues pruned to eliminate duplicates Z: 30 19.098 2.011 0.524 0.411 0.828 0.586 CB 1.535 30 residues pruned to eliminate duplicates Z: 32 24.308 2.114 0.534 0.439 0.871 0.516 CB 1.646 32 residues pruned to eliminate duplicates Z: 33 19.428 2.051 0.473 0.408 0.812 0.562 CB 1.541 33 residues pruned to eliminate duplicates Z: 62 32.328 2.034 0.517 0.561 0.918 0.574 CA 1.377 62 residues pruned to eliminate duplicates Z: 8 2.913 1.726 0.349 0.201 0.571 0.286 CB 1.181 4 residues pruned to eliminate duplicates Z: 13 18.986 1.897 0.839 0.691 1.000 0.583 CB 1.319 17 residues pruned to eliminate duplicates Z: 6 6.788 1.996 0.837 0.266 1.000 0.600 CA 1.080 6 residues pruned to eliminate duplicates Z: 7 9.195 1.940 1.000 0.432 0.833 0.667 CB 1.246 7 residues pruned to eliminate duplicates Z: 11 13.704 2.188 0.521 0.304 1.000 0.500 CB 1.619 14 residues pruned to eliminate duplicates Z: 22 39.577 2.291 0.763 0.822 1.000 0.476 CA 1.618 22 residues pruned to eliminate duplicates Z: 45 43.434 2.203 0.604 0.647 0.977 0.636 CB 1.653 45 residues pruned to eliminate duplicates Z: 45 42.524 2.218 0.719 0.639 0.932 0.591 CB 1.583 45 residues pruned to eliminate duplicates Z: 71 48.590 2.246 0.522 0.564 0.971 0.686 CB 1.643 71 residues pruned to eliminate duplicates Z: 43 40.523 2.233 0.592 0.657 0.929 0.619 CB 1.637 43 residues pruned to eliminate duplicates Z: 53 40.395 2.212 0.551 0.610 0.923 0.596 CB 1.593 53 residues pruned to eliminate duplicates Z: 44 40.401 2.253 0.597 0.651 0.930 0.651 CB 1.600 44 residues pruned to eliminate duplicates Z: 73 37.367 2.186 0.567 0.499 0.861 0.500 CB 1.495 73 residues pruned to eliminate duplicates Z: 54 40.986 2.189 0.551 0.603 0.943 0.642 CB 1.594 54 residues pruned to eliminate duplicates Z: 73 42.791 2.202 0.575 0.528 0.889 0.528 CA 1.592 73 residues pruned to eliminate duplicates Z: 57 37.448 2.089 0.582 0.558 0.911 0.607 CB 1.571 57 residues pruned to eliminate duplicates Z: 51 44.812 2.166 0.709 0.602 0.960 0.600 CA 1.618 51 residues pruned to eliminate duplicates Z: 63 41.954 2.216 0.663 0.528 0.903 0.677 CB 1.557 63 residues pruned to eliminate duplicates Z: 71 43.374 2.198 0.593 0.512 0.900 0.529 CA 1.626 71 residues pruned to eliminate duplicates Z: 40 48.541 2.288 0.729 0.755 0.949 0.590 CB 1.650 40 residues pruned to eliminate duplicates Z: 39 43.585 2.259 0.719 0.643 0.974 0.632 CB 1.635 39 residues pruned to eliminate duplicates Z: 73 45.283 2.188 0.587 0.550 0.917 0.583 CB 1.597 73 residues pruned to eliminate duplicates Z: 88 41.002 2.175 0.429 0.497 0.862 0.517 CB 1.645 88 residues pruned to eliminate duplicates Z: 72 44.963 2.192 0.613 0.525 0.930 0.521 CA 1.584 72 residues pruned to eliminate duplicates Z: 62 45.302 2.186 0.735 0.528 0.934 0.492 CA 1.592 62 residues pruned to eliminate duplicates Z: 53 46.889 2.204 0.783 0.615 0.923 0.558 CB 1.609 54 residues pruned to eliminate duplicates Z: 23 44.069 2.340 1.004 0.824 0.864 0.545 CA 1.752 23 residues pruned to eliminate duplicates Z: 50 44.409 2.263 0.671 0.634 0.918 0.592 CB 1.611 50 residues pruned to eliminate duplicates Z: 56 36.794 2.180 0.493 0.590 0.909 0.509 CB 1.538 56 residues pruned to eliminate duplicates Z: 34 46.456 2.294 0.732 0.768 1.000 0.515 CB 1.605 34 residues pruned to eliminate duplicates Z: 62 46.573 2.231 0.638 0.571 0.934 0.557 CA 1.630 62 residues pruned to eliminate duplicates Z: 53 40.393 2.236 0.620 0.590 0.865 0.404 CB 1.640 53 residues pruned to eliminate duplicates Z: 19 21.072 2.192 0.446 0.675 0.889 0.444 CB 1.500 19 residues pruned to eliminate duplicates Z: 93 47.008 2.178 0.473 0.508 0.913 0.620 CA 1.661 93 residues pruned to eliminate duplicates Z: 45 39.239 2.189 0.701 0.635 0.886 0.477 CB 1.579 45 residues pruned to eliminate duplicates Z: 62 43.060 2.203 0.598 0.537 0.918 0.492 CA 1.644 62 residues pruned to eliminate duplicates Z: 36 19.351 2.053 0.416 0.453 0.886 0.457 CB 1.333 36 residues pruned to eliminate duplicates Z: 33 23.527 2.179 0.447 0.410 0.906 0.438 CB 1.600 33 residues pruned to eliminate duplicates Z: 62 37.529 2.183 0.547 0.507 0.885 0.426 CB 1.596 62 residues pruned to eliminate duplicates Z: 13 13.899 2.115 0.313 0.815 1.000 0.417 CB 1.099 13 residues pruned to eliminate duplicates Z: 50 48.100 2.237 0.797 0.638 0.918 0.531 CB 1.636 50 residues pruned to eliminate duplicates Z: 18 14.767 1.968 0.631 0.667 0.882 0.412 CB 1.084 18 residues pruned to eliminate duplicates Z: 9 10.740 1.978 0.540 0.378 0.875 0.625 CA 1.622 9 residues pruned to eliminate duplicates Z: 70 36.652 2.141 0.617 0.458 0.841 0.478 CB 1.583 70 residues pruned to eliminate duplicates Z: 74 42.561 2.187 0.575 0.499 0.890 0.452 CA 1.626 74 residues pruned to eliminate duplicates Z: 41 27.271 2.100 0.693 0.409 0.900 0.450 CB 1.483 41 residues pruned to eliminate duplicates Z: 19 17.546 2.207 0.551 0.275 0.944 0.444 CA 1.649 19 residues pruned to eliminate duplicates Z: 44 30.890 2.173 0.568 0.440 0.930 0.512 CB 1.580 44 residues pruned to eliminate duplicates Z: 40 22.328 2.080 0.460 0.390 0.872 0.410 CB 1.517 40 residues pruned to eliminate duplicates Z: 63 42.431 2.212 0.678 0.535 0.887 0.387 CB 1.581 63 residues pruned to eliminate duplicates Z: 58 42.908 2.204 0.605 0.582 0.947 0.614 CB 1.567 58 residues pruned to eliminate duplicates Z: 96 54.657 2.200 0.561 0.578 0.916 0.611 CB 1.653 96 residues pruned to eliminate duplicates Z: 8 2.916 1.604 0.439 0.351 0.571 0.429 CA 0.983 8 residues pruned to eliminate duplicates Z: 68 47.082 2.230 0.669 0.541 0.910 0.493 CA 1.630 68 residues pruned to eliminate duplicates Z: 37 23.048 2.119 0.534 0.335 0.861 0.417 CA 1.643 37 residues pruned to eliminate duplicates Z: 30 21.911 2.203 0.536 0.357 0.897 0.483 CB 1.565 30 residues pruned to eliminate duplicates Z: 36 25.460 2.187 0.345 0.573 0.829 0.657 CA 1.646 36 residues pruned to eliminate duplicates Z: 28 20.127 2.218 0.561 0.327 0.852 0.444 CA 1.587 28 residues pruned to eliminate duplicates Z: 28 20.086 2.169 0.452 0.353 0.889 0.444 CA 1.619 28 residues pruned to eliminate duplicates Z: 28 23.060 2.249 0.609 0.333 0.889 0.407 CA 1.656 28 residues pruned to eliminate duplicates Z: 21 16.775 2.223 0.613 0.364 0.850 0.550 CA 1.425 21 residues pruned to eliminate duplicates Z: 28 16.693 2.187 0.413 0.297 0.852 0.519 CA 1.532 28 residues pruned to eliminate duplicates Z: 40 23.104 2.132 0.346 0.425 0.897 0.564 CA 1.553 40 residues pruned to eliminate duplicates Z: 44 22.764 2.173 0.241 0.482 0.837 0.605 CA 1.566 44 residues pruned to eliminate duplicates Z: 19 13.861 2.064 0.167 0.453 0.833 0.667 CB 1.707 19 residues pruned to eliminate duplicates Z: 14 8.067 1.988 -0.024 0.367 0.846 0.462 N 1.571 14 residues pruned to eliminate duplicates Z: 26 21.925 2.137 0.138 0.716 0.880 0.800 CB 1.684 26 residues pruned to eliminate duplicates Z: 94 48.799 2.183 0.573 0.533 0.882 0.581 CA 1.618 94 residues pruned to eliminate duplicates Z: 6 3.676 1.732 0.067 0.371 0.800 0.600 O 1.277 6 residues pruned to eliminate duplicates Z: 12 10.548 2.056 0.316 0.421 0.818 0.636 N 1.561 12 residues pruned to eliminate duplicates Z: 22 22.008 2.147 0.128 0.696 0.952 0.810 CA 1.742 22 residues pruned to eliminate duplicates Z: 20 9.820 1.858 0.347 0.368 0.737 0.421 N 1.408 20 residues pruned to eliminate duplicates Z: 18 24.603 2.200 0.335 0.751 0.941 0.706 CB 1.726 18 residues pruned to eliminate duplicates Z: 23 24.781 2.177 0.420 0.704 0.909 0.636 CB 1.562 23 residues pruned to eliminate duplicates Z: 36 24.713 2.059 0.406 0.603 0.800 0.486 CB 1.635 36 residues pruned to eliminate duplicates Z: 28 17.990 1.968 0.383 0.542 0.852 0.407 CB 1.432 28 residues pruned to eliminate duplicates Z: 23 22.700 2.151 0.205 0.723 0.909 0.636 CB 1.679 23 residues pruned to eliminate duplicates Z: 18 20.230 2.163 0.412 0.685 0.941 0.529 CB 1.440 18 residues pruned to eliminate duplicates Z: 31 20.877 2.005 0.460 0.598 0.867 0.433 CB 1.368 31 residues pruned to eliminate duplicates Z: 27 26.667 2.105 0.579 0.676 0.885 0.577 CB 1.512 27 residues pruned to eliminate duplicates Z: 25 21.132 2.096 0.434 0.705 0.875 0.542 CB 1.361 25 residues pruned to eliminate duplicates Z: 25 18.949 2.112 0.272 0.708 0.792 0.375 CB 1.505 25 residues pruned to eliminate duplicates Z: 24 21.817 2.098 0.546 0.641 0.783 0.261 CB 1.571 24 residues pruned to eliminate duplicates Z: 33 26.420 2.022 0.514 0.638 0.844 0.406 CB 1.588 33 residues pruned to eliminate duplicates Z: 14 21.887 2.010 1.055 0.791 0.923 0.077 CB 1.233 14 residues pruned to eliminate duplicates Z: 109 50.424 2.155 0.632 0.541 0.815 0.454 CB 1.627 109 residues pruned to eliminate duplicates Z: 18 15.701 2.022 0.672 0.726 0.706 0.176 CB 1.301 18 residues pruned to eliminate duplicates Z: 14 9.151 1.899 0.508 0.643 0.692 0.231 CB 1.121 14 residues pruned to eliminate duplicates Z: 35 20.721 2.009 0.350 0.645 0.735 0.353 CB 1.556 35 residues pruned to eliminate duplicates Z: 12 6.294 1.920 0.125 0.424 0.636 0.364 CA 1.493 12 residues pruned to eliminate duplicates Z: 55 25.933 2.039 0.389 0.520 0.796 0.389 CB 1.535 55 residues pruned to eliminate duplicates Z: 36 22.852 2.033 0.429 0.621 0.771 0.429 CB 1.538 36 residues pruned to eliminate duplicates Z: 19 9.898 1.934 0.491 0.485 0.611 0.278 CB 1.344 19 residues pruned to eliminate duplicates Z: 55 25.355 2.003 0.361 0.490 0.870 0.444 CB 1.469 55 residues pruned to eliminate duplicates Z: 110 51.438 2.166 0.549 0.546 0.862 0.495 CA 1.628 110 residues pruned to eliminate duplicates Z: 62 30.045 2.073 0.374 0.559 0.852 0.443 CB 1.496 62 residues pruned to eliminate duplicates Z: 32 12.052 1.894 0.255 0.339 0.806 0.323 CB 1.346 26 residues pruned to eliminate duplicates Z: 8 5.145 1.497 0.281 0.529 0.857 0.571 CA 1.150 8 residues pruned to eliminate duplicates Z: 22 10.222 1.979 0.209 0.395 0.810 0.524 CB 1.287 22 residues pruned to eliminate duplicates Z: 24 12.415 1.955 0.419 0.382 0.826 0.435 CB 1.281 24 residues pruned to eliminate duplicates Z: 19 11.877 2.013 0.430 0.416 0.889 0.389 CB 1.194 19 residues pruned to eliminate duplicates Z: 19 11.278 1.957 0.219 0.444 0.944 0.611 CB 1.250 19 residues pruned to eliminate duplicates Z: 23 11.095 1.955 0.243 0.381 0.864 0.364 CB 1.279 23 residues pruned to eliminate duplicates Z: 38 17.776 1.987 0.473 0.497 0.757 0.405 CB 1.324 38 residues pruned to eliminate duplicates Z: 20 11.195 1.979 0.318 0.414 0.842 0.474 CB 1.278 20 residues pruned to eliminate duplicates Z: 21 10.376 2.011 0.197 0.420 0.850 0.450 CB 1.233 21 residues pruned to eliminate duplicates Z: 16 12.342 1.993 0.413 0.436 0.933 0.667 CB 1.295 16 residues pruned to eliminate duplicates Z: 21 13.933 1.949 0.460 0.416 0.900 0.500 CB 1.328 21 residues pruned to eliminate duplicates Z: 56 26.788 2.006 0.443 0.522 0.873 0.509 CB 1.399 56 residues pruned to eliminate duplicates Z: 22 11.860 1.876 0.261 0.443 0.905 0.476 CB 1.282 22 residues pruned to eliminate duplicates Z: 23 7.568 1.882 0.153 0.439 0.773 0.455 CB 1.025 23 residues pruned to eliminate duplicates Z: 23 11.243 1.948 0.224 0.416 0.864 0.455 CB 1.270 23 residues pruned to eliminate duplicates Z: 9 3.778 1.685 0.296 0.189 0.625 0.125 CB 1.420 8 residues pruned to eliminate duplicates Z: 6 4.252 1.627 -0.030 0.404 1.000 0.800 CA 1.333 6 residues pruned to eliminate duplicates Z: 24 11.980 2.034 0.233 0.376 0.870 0.478 CA 1.307 22 residues pruned to eliminate duplicates Z: 7 4.282 1.853 0.215 0.315 0.833 0.500 CA 1.143 7 residues pruned to eliminate duplicates Z: 20 13.202 2.038 0.519 0.319 0.842 0.474 CA 1.418 20 residues pruned to eliminate duplicates Z: 19 12.416 1.948 0.330 0.334 0.889 0.556 CA 1.523 19 residues pruned to eliminate duplicates Z: 25 13.093 1.970 0.487 0.319 0.792 0.417 CA 1.408 25 residues pruned to eliminate duplicates Z: 19 11.960 1.973 0.418 0.318 0.889 0.389 CA 1.386 19 residues pruned to eliminate duplicates Z: 35 17.546 1.896 0.509 0.371 0.853 0.471 CA 1.415 35 residues pruned to eliminate duplicates Z: 13 12.899 2.102 0.544 0.422 0.833 0.333 CA 1.494 13 residues pruned to eliminate duplicates Z: 22 13.371 1.989 0.672 0.384 0.810 0.333 CA 1.226 22 residues pruned to eliminate duplicates Z: 30 19.129 2.070 0.508 0.392 0.862 0.517 CA 1.480 33 residues pruned to eliminate duplicates Z: 9 7.558 1.555 0.907 0.415 1.000 0.125 CA 0.985 9 residues pruned to eliminate duplicates Z: 20 12.575 2.004 0.557 0.389 0.789 0.474 CA 1.317 20 residues pruned to eliminate duplicates Z: 47 25.328 2.019 0.521 0.457 0.870 0.478 CA 1.461 43 residues pruned to eliminate duplicates Z: 6 4.575 1.456 1.254 0.426 0.600 0.600 C 1.122 6 residues pruned to eliminate duplicates Z: 36 25.674 1.957 0.391 0.671 0.914 0.743 CB 1.490 36 residues pruned to eliminate duplicates Z: 26 16.714 2.029 0.216 0.517 0.880 0.600 CB 1.514 26 residues pruned to eliminate duplicates Z: 46 32.069 1.974 0.510 0.620 0.933 0.667 CB 1.535 46 residues pruned to eliminate duplicates Z: 40 22.348 1.996 0.484 0.426 0.872 0.641 CA 1.497 40 residues pruned to eliminate duplicates Z: 24 10.126 1.860 0.303 0.332 0.826 0.522 CB 1.268 24 residues pruned to eliminate duplicates Z: 27 32.954 2.099 0.574 0.686 0.962 0.731 CB 1.716 27 residues pruned to eliminate duplicates Z: 19 25.594 2.043 0.591 0.723 0.944 0.667 CA 1.607 19 residues pruned to eliminate duplicates Z: 32 24.149 1.966 0.530 0.639 0.871 0.613 CB 1.453 32 residues pruned to eliminate duplicates Z: 23 19.938 1.997 0.702 0.554 0.864 0.500 CB 1.374 23 residues pruned to eliminate duplicates Z: 52 30.633 2.060 0.474 0.513 0.902 0.647 CA 1.547 52 residues pruned to eliminate duplicates Z: 24 24.344 1.950 0.470 0.745 0.913 0.652 CA 1.558 24 residues pruned to eliminate duplicates Z: 44 26.623 1.904 0.594 0.582 0.907 0.651 CB 1.363 44 residues pruned to eliminate duplicates Z: 31 34.448 1.962 0.711 0.749 1.000 0.733 CB 1.500 31 residues pruned to eliminate duplicates Z: 36 31.149 2.019 0.734 0.629 0.886 0.686 CB 1.504 36 residues pruned to eliminate duplicates Z: 24 27.029 1.963 0.804 0.716 0.957 0.609 CB 1.368 24 residues pruned to eliminate duplicates Z: 49 40.692 2.030 0.673 0.619 0.938 0.562 CA 1.648 58 residues pruned to eliminate duplicates Z: 22 43.447 2.085 1.058 0.886 0.952 0.524 CB 1.674 22 residues pruned to eliminate duplicates Z: 40 27.490 1.967 0.744 0.607 0.821 0.487 CB 1.412 40 residues pruned to eliminate duplicates Z: 36 41.316 2.005 0.812 0.734 0.971 0.629 CB 1.605 35 residues pruned to eliminate duplicates Z: 21 31.657 2.085 0.767 0.871 0.900 0.350 CB 1.557 21 residues pruned to eliminate duplicates Z: 26 38.708 2.039 0.957 0.808 0.920 0.400 CB 1.613 27 residues pruned to eliminate duplicates Z: 18 33.456 1.994 1.085 0.892 0.882 0.471 CA 1.589 18 residues pruned to eliminate duplicates Z: 37 34.931 1.942 0.856 0.670 0.944 0.528 CB 1.461 27 residues pruned to eliminate duplicates Z: 19 31.061 1.905 0.902 0.870 0.944 0.278 CA 1.561 19 residues pruned to eliminate duplicates Z: 60 33.327 1.957 0.693 0.493 0.898 0.492 CB 1.468 60 residues pruned to eliminate duplicates Z: 30 33.828 1.994 0.807 0.691 0.966 0.552 CB 1.516 30 residues pruned to eliminate duplicates Z: 64 38.801 2.041 0.764 0.532 0.841 0.540 CA 1.564 69 residues pruned to eliminate duplicates Z: 6 4.835 1.750 0.262 0.324 0.800 0.200 CA 1.486 6 residues pruned to eliminate duplicates Z: 14 7.863 1.665 0.442 0.358 0.846 0.231 CA 1.251 9 residues pruned to eliminate duplicates 6 1.793 1.384 0.375 0.189 0.600 0.400 CA 1.019 ? Z: 6 5.096 1.753 0.976 0.402 0.800 0.400 CA 0.912 6 residues pruned to eliminate duplicates Z: 9 6.527 1.777 0.706 0.422 0.750 0.125 CB 1.101 9 residues pruned to eliminate duplicates Z: 10 10.388 1.785 0.968 0.441 0.889 0.333 CB 1.178 11 residues pruned to eliminate duplicates Z: 6 5.731 1.669 0.764 0.478 0.800 0.200 CA 1.112 6 residues pruned to eliminate duplicates Z: 10 5.673 1.665 0.671 0.388 0.778 0.333 CA 0.984 10 residues pruned to eliminate duplicates Z: 12 6.690 1.557 0.666 0.325 0.818 0.273 CB 1.152 12 residues pruned to eliminate duplicates Z: 15 7.229 1.958 0.293 0.423 0.786 0.429 CB 1.053 17 residues pruned to eliminate duplicates Z: 12 4.598 1.815 0.536 0.384 0.545 0.182 CB 1.031 12 residues pruned to eliminate duplicates Z: 15 8.333 2.023 0.320 0.461 0.786 0.429 CB 1.104 15 residues pruned to eliminate duplicates Z: 13 5.444 1.926 0.331 0.390 0.750 0.417 CB 0.919 13 residues pruned to eliminate duplicates Z: 46 16.223 1.959 0.308 0.386 0.844 0.533 CB 1.261 61 residues pruned to eliminate duplicates Z: 13 6.507 1.910 0.586 0.379 0.667 0.417 CB 1.058 Z: 7 3.472 1.825 0.614 0.496 0.500 0.167 CA 0.966 7 residues pruned to eliminate duplicates Z: 8 5.018 2.038 0.736 0.279 0.571 0.286 CB 1.204 8 residues pruned to eliminate duplicates Z: 12 5.554 1.799 0.505 0.277 0.727 0.455 CB 1.094 7 residues pruned to eliminate duplicates Z: 7 2.462 1.613 0.281 0.321 0.667 0.667 CB 0.889 7 residues pruned to eliminate duplicates Z: 7 5.936 1.767 0.615 0.407 0.833 0.333 CB 1.124 7 residues pruned to eliminate duplicates Z: 7 4.957 1.848 0.169 0.379 0.833 0.333 CA 1.278 7 residues pruned to eliminate duplicates Z: 16 8.917 2.021 0.438 0.272 0.667 0.400 CB 1.540 16 residues pruned to eliminate duplicates Z: 17 6.713 2.005 0.451 0.178 0.688 0.188 CB 1.237 16 residues pruned to eliminate duplicates Z: 6 3.932 2.005 -0.061 0.261 0.800 0.400 O 1.534 6 residues pruned to eliminate duplicates Z: 7 3.799 1.610 0.366 0.234 0.833 0.500 N 1.153 7 residues pruned to eliminate duplicates Z: 6 4.617 1.685 0.406 0.333 0.800 0.200 N 1.308 6 residues pruned to eliminate duplicates Z: 10 10.895 1.939 0.061 0.620 1.000 0.667 N 1.577 9 residues pruned to eliminate duplicates Z: 11 8.626 1.796 0.348 0.671 0.900 0.500 CA 1.070 9 residues pruned to eliminate duplicates Z: 9 11.843 1.952 0.193 0.616 1.000 0.625 N 1.611 9 residues pruned to eliminate duplicates Z: 10 8.909 2.030 0.212 0.450 0.778 0.333 CA 1.634 10 residues pruned to eliminate duplicates Z: 22 16.104 2.044 0.329 0.524 0.857 0.476 CA 1.475 22 residues pruned to eliminate duplicates Z: 9 13.581 1.995 0.353 0.621 1.000 0.625 N 1.586 9 residues pruned to eliminate duplicates Z: 26 15.941 1.922 0.416 0.505 0.800 0.440 CA 1.457 26 residues pruned to eliminate duplicates Z: 31 16.382 1.932 0.372 0.395 0.833 0.400 CB 1.513 31 residues pruned to eliminate duplicates Z: 24 18.180 1.920 0.535 0.544 0.870 0.435 CA 1.417 23 residues pruned to eliminate duplicates Z: 11 6.591 1.968 0.342 0.394 0.700 0.500 CA 1.261 11 residues pruned to eliminate duplicates Z: 47 25.032 1.994 0.218 0.529 0.935 0.522 CB 1.580 47 residues pruned to eliminate duplicates Z: 22 22.494 2.070 0.556 0.585 0.857 0.429 CA 1.638 24 residues pruned to eliminate duplicates Z: 13 22.340 1.927 0.784 0.861 1.000 0.500 CB 1.378 12 residues pruned to eliminate duplicates Z: 11 22.336 2.074 0.810 0.861 0.900 0.400 CA 1.536 12 residues pruned to eliminate duplicates Z: 11 23.723 2.043 0.901 0.827 1.000 0.400 CA 1.456 11 residues pruned to eliminate duplicates Z: 14 15.075 1.941 0.533 0.589 0.846 0.385 CA 1.524 14 residues pruned to eliminate duplicates Z: 17 17.913 2.074 0.485 0.568 0.812 0.375 N 1.675 17 residues pruned to eliminate duplicates Z: 16 15.459 1.896 0.642 0.596 0.867 0.267 CB 1.350 16 residues pruned to eliminate duplicates Z: 25 21.649 1.956 0.531 0.579 0.917 0.292 CA 1.492 23 residues pruned to eliminate duplicates Z: 12 19.607 2.035 0.616 0.817 0.909 0.455 CB 1.502 12 residues pruned to eliminate duplicates Z: 27 18.870 1.903 0.433 0.531 0.885 0.308 CA 1.487 27 residues pruned to eliminate duplicates Z: 15 12.781 2.073 0.560 0.487 0.714 0.500 CB 1.499 15 residues pruned to eliminate duplicates Z: 16 9.175 1.946 0.537 0.378 0.733 0.333 CB 1.230 17 residues pruned to eliminate duplicates Z: 6 5.022 1.640 1.339 0.359 0.800 0.600 CA 0.852 6 residues pruned to eliminate duplicates Z: 11 10.545 2.053 0.652 0.456 0.800 0.600 CA 1.287 10 residues pruned to eliminate duplicates Z: 6 2.444 1.510 -0.106 0.357 1.000 0.400 CB 0.946 6 residues pruned to eliminate duplicates Z: 10 10.038 2.081 0.695 0.478 0.889 0.667 CB 1.090 10 residues pruned to eliminate duplicates Z: 18 12.260 2.091 0.454 0.423 0.765 0.471 CB 1.386 18 residues pruned to eliminate duplicates Z: 13 9.598 2.126 0.395 0.443 0.750 0.417 CB 1.320 13 residues pruned to eliminate duplicates Z: 18 13.130 2.142 0.467 0.411 0.765 0.353 CB 1.455 18 residues pruned to eliminate duplicates Z: 19 8.205 1.908 0.265 0.326 0.722 0.444 CB 1.343 19 residues pruned to eliminate duplicates Z: 18 13.046 2.143 0.497 0.384 0.765 0.412 CB 1.458 18 residues pruned to eliminate duplicates Z: 19 9.648 2.099 0.335 0.344 0.722 0.389 CB 1.332 19 residues pruned to eliminate duplicates Z: 20 8.106 1.944 0.449 0.299 0.684 0.474 CB 1.208 20 residues pruned to eliminate duplicates Z: 12 3.491 1.589 -0.151 0.216 0.818 0.545 CB 1.331 18 residues pruned to eliminate duplicates Z: 14 5.974 1.835 0.322 0.299 0.692 0.462 CB 1.235 14 residues pruned to eliminate duplicates Z: 11 3.776 1.763 -0.019 0.542 0.900 0.600 CB 0.737 11 residues pruned to eliminate duplicates Z: 8 3.997 1.892 -0.212 0.459 0.857 0.571 CB 1.233 8 residues pruned to eliminate duplicates Z: 26 12.586 1.914 0.278 0.372 0.800 0.560 CB 1.475 26 residues pruned to eliminate duplicates Z: 23 7.267 1.745 0.401 0.201 0.727 0.409 CB 1.243 23 residues pruned to eliminate duplicates Z: 19 11.245 1.936 0.140 0.345 0.889 0.444 CA 1.599 19 residues pruned to eliminate duplicates Z: 23 9.310 1.744 0.202 0.238 0.909 0.455 CA 1.413 23 residues pruned to eliminate duplicates Z: 18 10.848 1.981 0.176 0.312 0.941 0.471 CA 1.478 18 residues pruned to eliminate duplicates Z: 17 10.062 1.934 0.221 0.328 0.875 0.438 CA 1.471 16 residues pruned to eliminate duplicates Z: 6 4.056 1.731 0.160 0.423 0.800 0.400 CB 1.223 6 residues pruned to eliminate duplicates Z: 21 10.994 1.882 0.246 0.296 0.900 0.300 CA 1.464 21 residues pruned to eliminate duplicates Z: 17 10.594 1.912 0.370 0.287 0.875 0.438 CA 1.468 17 residues pruned to eliminate duplicates 546 residues left after pruning, divided into chains as follows: A: 13 B: 22 C: 8 D: 38 E: 7 F: 39 G: 7 H: 28 I: 88 J: 12 K: 135 L: 63 M: 10 N: 18 O: 22 P: 36 CC for partial structure against native data = 19.69 % ------------------------------------------------------------------------------ Global autotracing cycle 28 = 0.300, Contrast = 0.413, Connect. = 0.681 for dens.mod. cycle 1 = 0.300, Contrast = 0.473, Connect. = 0.702 for dens.mod. cycle 2 = 0.300, Contrast = 0.546, Connect. = 0.737 for dens.mod. cycle 3 = 0.300, Contrast = 0.553, Connect. = 0.742 for dens.mod. cycle 4 = 0.300, Contrast = 0.560, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.564, Connect. = 0.750 for dens.mod. cycle 6 = 0.300, Contrast = 0.568, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.571, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.572, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.573, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6831 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1193 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 22.392 1.960 0.873 0.894 0.909 0.727 CB 1.451 B: 21 32.816 2.211 0.508 0.867 1.000 0.800 CA 1.610 C: 10 20.410 2.228 0.565 0.840 0.889 0.444 CB 1.637 10 residues pruned to eliminate duplicates D: 21 40.333 2.245 0.866 0.918 0.950 0.800 CA 1.599 20 residues pruned to eliminate duplicates E: 21 41.949 2.299 0.796 0.897 1.000 0.750 CA 1.626 22 residues pruned to eliminate duplicates F: 32 23.333 2.161 0.159 0.593 0.903 0.613 CA 1.696 G: 20 15.163 2.217 0.463 0.347 0.895 0.632 CA 1.415 9 residues pruned to eliminate duplicates H: 18 21.421 2.105 0.488 0.866 0.941 0.824 CB 1.290 13 residues pruned to eliminate duplicates I: 12 15.228 1.970 0.452 0.434 1.000 0.727 C 1.719 J: 11 20.147 2.038 1.101 0.808 0.900 0.600 CB 1.264 K: 6 2.646 1.922 0.062 0.298 0.600 0.600 CB 1.212 L: 11 20.213 2.229 0.308 0.904 1.000 0.800 CB 1.562 11 residues pruned to eliminate duplicates M: 12 21.550 1.907 0.822 0.856 1.000 0.909 CB 1.379 12 residues pruned to eliminate duplicates N: 28 17.445 2.073 0.485 0.393 0.889 0.519 CA 1.373 O: 11 17.618 1.994 0.616 0.823 0.900 0.500 CA 1.452 11 residues pruned to eliminate duplicates P: 20 31.095 2.207 0.618 0.866 0.895 0.579 CB 1.633 20 residues pruned to eliminate duplicates Q: 18 24.449 2.125 0.597 0.861 0.941 0.647 CB 1.365 18 residues pruned to eliminate duplicates R: 17 16.634 2.005 0.044 0.898 1.000 0.812 CA 1.422 17 residues pruned to eliminate duplicates S: 9 16.771 2.220 0.431 0.905 0.875 0.750 CA 1.518 9 residues pruned to eliminate duplicates T: 11 28.844 2.249 1.117 0.847 1.000 0.700 CB 1.422 11 residues pruned to eliminate duplicates U: 12 27.226 2.195 0.814 0.884 1.000 0.636 CB 1.489 12 residues pruned to eliminate duplicates V: 18 20.875 2.075 0.412 0.859 0.941 0.706 CB 1.351 18 residues pruned to eliminate duplicates W: 19 20.353 2.095 0.339 0.873 0.944 0.833 CA 1.318 19 residues pruned to eliminate duplicates X: 11 22.004 2.153 0.613 0.908 1.000 0.700 CB 1.423 11 residues pruned to eliminate duplicates Y: 16 10.643 1.857 0.311 0.457 0.867 0.533 CB 1.362 16 residues pruned to eliminate duplicates Z: 19 17.771 1.935 0.431 0.827 0.944 0.722 CA 1.207 19 residues pruned to eliminate duplicates Z: 21 42.248 2.240 0.882 0.914 0.950 0.750 CA 1.668 21 residues pruned to eliminate duplicates Z: 18 10.025 1.967 0.188 0.488 0.882 0.647 CB 1.194 Z: 7 6.339 2.033 0.006 0.467 0.833 0.500 CB 1.571 Z: 20 23.088 2.019 0.625 0.842 0.947 0.737 CA 1.269 Z: 22 40.066 2.236 0.681 0.876 1.000 0.571 CB 1.690 22 residues pruned to eliminate duplicates Z: 10 23.185 2.062 1.159 0.870 1.000 0.667 CB 1.267 10 residues pruned to eliminate duplicates Z: 20 45.007 2.334 0.832 0.912 1.000 0.789 CA 1.710 20 residues pruned to eliminate duplicates Z: 14 13.203 1.945 0.499 0.423 0.923 0.538 CA 1.473 Z: 11 7.670 1.836 0.274 0.475 0.900 0.500 CB 1.182 Z: 10 15.353 1.974 0.390 0.849 1.000 0.778 CA 1.382 Z: 14 21.245 2.044 0.636 0.888 0.846 0.538 CB 1.500 15 residues pruned to eliminate duplicates Z: 18 19.449 2.074 0.347 0.872 0.941 0.765 CB 1.307 18 residues pruned to eliminate duplicates Z: 19 17.716 2.254 0.596 0.371 0.889 0.556 CA 1.499 19 residues pruned to eliminate duplicates Z: 16 25.535 2.124 0.603 0.839 0.867 0.267 CA 1.669 Z: 10 11.940 2.169 0.145 0.764 0.889 0.667 CB 1.425 Z: 6 7.547 2.326 0.623 0.764 0.600 0.400 CB 1.179 6 residues pruned to eliminate duplicates Z: 18 15.497 1.922 0.288 0.847 0.941 0.647 CB 1.198 18 residues pruned to eliminate duplicates Z: 13 22.109 2.117 0.694 0.834 0.917 0.667 CB 1.455 13 residues pruned to eliminate duplicates Z: 14 9.934 1.905 0.550 0.408 0.769 0.615 CB 1.336 12 residues pruned to eliminate duplicates Z: 21 29.382 1.994 0.620 0.889 0.950 0.550 CB 1.541 16 residues pruned to eliminate duplicates Z: 11 17.426 1.844 0.588 0.848 1.000 0.800 CB 1.396 10 residues pruned to eliminate duplicates Z: 12 17.224 2.153 0.469 0.717 0.909 0.727 CB 1.485 Z: 24 10.320 1.960 0.193 0.428 0.783 0.478 CB 1.267 21 residues pruned to eliminate duplicates Z: 13 11.033 1.974 0.590 0.356 0.750 0.417 CB 1.580 Z: 20 29.284 2.032 0.605 0.899 0.947 0.842 CA 1.554 21 residues pruned to eliminate duplicates Z: 7 7.657 1.932 0.059 0.574 0.833 0.667 CB 1.708 Z: 12 19.962 1.884 0.601 0.828 1.000 0.727 CA 1.503 11 residues pruned to eliminate duplicates Z: 45 26.108 2.086 0.331 0.601 0.864 0.705 CA 1.492 41 residues pruned to eliminate duplicates Z: 16 23.354 2.121 0.521 0.873 0.867 0.600 CB 1.571 16 residues pruned to eliminate duplicates Z: 21 19.641 2.141 0.523 0.490 0.950 0.600 CB 1.432 11 residues pruned to eliminate duplicates Z: 11 17.848 2.135 0.374 0.832 0.900 0.800 CB 1.605 10 residues pruned to eliminate duplicates Z: 9 8.980 2.011 0.206 0.550 0.875 0.500 CB 1.424 Z: 11 10.365 2.105 0.536 0.364 0.900 0.500 CB 1.303 12 residues pruned to eliminate duplicates Z: 58 38.425 2.107 0.590 0.603 0.930 0.561 CA 1.481 32 residues pruned to eliminate duplicates Z: 9 17.557 2.249 0.508 0.807 0.875 0.625 CB 1.600 9 residues pruned to eliminate duplicates Z: 7 6.471 1.819 0.319 0.453 0.833 0.333 CB 1.386 7 residues pruned to eliminate duplicates Z: 21 45.015 2.311 0.861 0.893 0.950 0.650 CB 1.769 21 residues pruned to eliminate duplicates Z: 23 34.664 2.151 0.811 0.881 0.864 0.318 CB 1.591 23 residues pruned to eliminate duplicates Z: 16 35.266 2.272 0.981 0.868 0.867 0.333 CB 1.706 16 residues pruned to eliminate duplicates Z: 10 12.795 2.014 0.423 0.911 0.889 0.667 CA 1.186 10 residues pruned to eliminate duplicates Z: 14 11.233 1.973 0.352 0.629 0.846 0.538 CB 1.222 12 residues pruned to eliminate duplicates Z: 38 27.565 2.156 0.495 0.499 0.919 0.568 CA 1.532 40 residues pruned to eliminate duplicates Z: 10 17.372 2.031 0.680 0.803 0.889 0.556 CA 1.466 10 residues pruned to eliminate duplicates Z: 10 8.864 1.806 0.029 0.773 1.000 0.667 CB 1.248 10 residues pruned to eliminate duplicates Z: 61 38.861 2.077 0.556 0.572 0.950 0.583 CA 1.524 68 residues pruned to eliminate duplicates Z: 12 18.436 2.194 0.463 0.715 0.909 0.727 CB 1.567 13 residues pruned to eliminate duplicates Z: 10 15.998 2.020 0.548 0.884 0.778 0.222 CA 1.584 10 residues pruned to eliminate duplicates Z: 11 8.653 2.057 0.180 0.387 0.900 0.500 CB 1.412 11 residues pruned to eliminate duplicates Z: 8 17.471 2.139 0.948 0.714 0.857 0.714 CB 1.523 11 residues pruned to eliminate duplicates Z: 19 13.664 2.112 0.567 0.423 0.722 0.500 CB 1.459 Z: 20 9.035 1.883 0.251 0.321 0.737 0.474 CB 1.454 Z: 12 9.943 2.120 0.138 0.483 0.818 0.727 CA 1.545 12 residues pruned to eliminate duplicates Z: 19 32.817 2.222 0.739 0.885 0.944 0.556 CA 1.530 19 residues pruned to eliminate duplicates Z: 8 4.712 1.780 0.042 0.376 0.857 0.429 CB 1.279 8 residues pruned to eliminate duplicates Z: 14 35.333 2.243 0.981 0.875 0.923 0.769 CA 1.738 14 residues pruned to eliminate duplicates Z: 18 23.913 2.094 0.509 0.793 0.882 0.529 CB 1.609 18 residues pruned to eliminate duplicates Z: 12 10.752 1.820 0.399 0.467 0.909 0.545 CB 1.449 13 residues pruned to eliminate duplicates Z: 21 33.798 2.082 0.616 0.888 1.000 0.750 CB 1.618 21 residues pruned to eliminate duplicates Z: 9 17.227 2.048 0.460 0.780 1.000 0.500 CB 1.592 9 residues pruned to eliminate duplicates Z: 7 6.696 1.623 0.633 0.489 1.000 0.833 CB 1.043 Z: 20 37.835 2.251 0.675 0.925 1.000 0.737 CA 1.615 20 residues pruned to eliminate duplicates Z: 20 32.443 2.009 0.555 0.937 1.000 0.947 CA 1.658 20 residues pruned to eliminate duplicates Z: 22 15.865 2.190 0.536 0.336 0.857 0.476 CA 1.436 21 residues pruned to eliminate duplicates Z: 14 8.629 1.863 0.293 0.727 0.769 0.462 CB 1.052 12 residues pruned to eliminate duplicates Z: 12 7.815 1.963 0.385 0.428 0.818 0.636 CB 1.141 12 residues pruned to eliminate duplicates Z: 10 16.738 1.969 0.562 0.827 1.000 0.778 CA 1.367 10 residues pruned to eliminate duplicates Z: 20 34.665 2.089 0.536 0.913 1.000 0.684 CA 1.754 21 residues pruned to eliminate duplicates Z: 14 9.462 1.855 0.472 0.433 0.846 0.692 CA 1.217 9 residues pruned to eliminate duplicates Z: 23 17.228 2.065 0.400 0.509 0.955 0.636 CB 1.320 23 residues pruned to eliminate duplicates Z: 10 5.264 1.675 0.199 0.327 0.778 0.444 O 1.357 Z: 22 36.946 2.200 0.689 0.859 1.000 0.714 CA 1.597 22 residues pruned to eliminate duplicates Z: 11 15.100 2.076 0.582 0.487 1.000 0.600 CB 1.472 11 residues pruned to eliminate duplicates Z: 25 21.459 2.082 0.428 0.454 0.958 0.417 CB 1.611 25 residues pruned to eliminate duplicates Z: 48 43.543 2.261 0.648 0.617 0.936 0.404 CB 1.629 41 residues pruned to eliminate duplicates Z: 20 40.057 2.303 0.700 0.907 0.895 0.579 CB 1.864 20 residues pruned to eliminate duplicates Z: 18 13.715 1.977 0.282 0.468 0.882 0.588 CA 1.537 18 residues pruned to eliminate duplicates Z: 6 4.728 1.941 -0.246 0.729 1.000 0.600 CB 1.176 Z: 21 15.557 2.027 0.492 0.395 0.850 0.500 CB 1.513 Z: 18 21.263 2.072 0.567 0.894 0.941 0.588 CA 1.210 18 residues pruned to eliminate duplicates Z: 21 31.154 2.053 0.653 0.929 0.950 0.600 CB 1.512 21 residues pruned to eliminate duplicates Z: 20 13.216 2.182 0.478 0.357 0.737 0.526 CA 1.490 20 residues pruned to eliminate duplicates Z: 11 15.194 2.159 0.357 0.855 0.800 0.700 CB 1.513 11 residues pruned to eliminate duplicates Z: 20 11.797 2.086 0.479 0.330 0.789 0.579 CA 1.339 5 residues pruned to eliminate duplicates 8 1.870 1.642 0.101 0.291 0.571 0.429 N 0.865 ? Z: 15 9.395 1.862 0.121 0.438 0.929 0.500 CB 1.382 6 residues pruned to eliminate duplicates Z: 14 11.505 1.902 0.487 0.407 0.923 0.538 CA 1.347 14 residues pruned to eliminate duplicates Z: 21 28.234 2.003 0.648 0.889 1.000 0.650 CA 1.377 20 residues pruned to eliminate duplicates Z: 7 5.915 1.863 -0.287 0.639 1.000 0.500 CB 1.596 Z: 10 9.314 2.037 0.107 0.448 1.000 0.667 CB 1.452 10 residues pruned to eliminate duplicates Z: 23 32.024 1.963 0.634 0.896 1.000 0.727 CA 1.525 21 residues pruned to eliminate duplicates Z: 6 4.925 1.913 0.062 0.565 0.800 0.600 CB 1.273 Z: 14 11.846 2.100 0.415 0.511 0.769 0.385 CA 1.422 14 residues pruned to eliminate duplicates Z: 21 33.765 2.085 0.624 0.901 1.000 0.500 CB 1.592 21 residues pruned to eliminate duplicates Z: 6 4.020 1.735 0.703 0.347 0.600 0.400 CB 1.197 Z: 12 11.920 2.060 0.608 0.436 0.818 0.727 CB 1.417 12 residues pruned to eliminate duplicates Z: 6 5.290 1.434 0.487 0.793 1.000 0.800 CA 0.858 6 residues pruned to eliminate duplicates Z: 20 34.024 2.093 0.542 0.915 1.000 0.684 CB 1.709 20 residues pruned to eliminate duplicates Z: 67 37.179 2.095 0.644 0.554 0.879 0.424 CA 1.434 67 residues pruned to eliminate duplicates Z: 10 7.657 1.805 0.408 0.455 0.778 0.556 CB 1.352 9 residues pruned to eliminate duplicates Z: 70 46.288 2.226 0.627 0.545 0.884 0.464 CA 1.665 61 residues pruned to eliminate duplicates Z: 63 38.169 2.076 0.637 0.633 0.871 0.468 CA 1.446 63 residues pruned to eliminate duplicates Z: 35 18.477 2.020 0.333 0.472 0.824 0.471 CA 1.470 35 residues pruned to eliminate duplicates Z: 10 13.912 2.088 0.337 0.615 0.889 0.667 N 1.677 10 residues pruned to eliminate duplicates 6 0.820 1.502 -0.385 0.473 0.800 0.600 N 0.510 ? Z: 17 15.079 2.205 0.540 0.290 0.875 0.438 CB 1.606 17 residues pruned to eliminate duplicates Z: 17 10.920 2.019 0.236 0.351 0.812 0.438 CB 1.581 18 residues pruned to eliminate duplicates Z: 44 39.287 2.210 0.587 0.670 0.930 0.721 CA 1.569 44 residues pruned to eliminate duplicates Z: 20 15.565 1.935 0.465 0.841 0.684 0.368 CA 1.373 20 residues pruned to eliminate duplicates Z: 8 6.108 1.935 0.396 0.405 0.857 0.286 CB 1.102 8 residues pruned to eliminate duplicates Z: 7 3.110 1.618 0.022 0.468 0.833 0.500 CB 0.952 Z: 16 9.764 1.888 0.525 0.260 0.800 0.533 CA 1.441 Z: 8 9.913 1.812 1.084 0.570 0.714 0.714 CB 1.298 8 residues pruned to eliminate duplicates Z: 28 16.668 2.091 0.353 0.392 0.889 0.556 CA 1.430 28 residues pruned to eliminate duplicates Z: 19 15.142 2.066 0.350 0.424 0.944 0.500 CB 1.466 16 residues pruned to eliminate duplicates Z: 6 4.518 1.747 0.485 0.307 1.000 0.400 CB 0.965 6 residues pruned to eliminate duplicates Z: 25 23.144 2.143 0.819 0.543 0.875 0.583 CA 1.328 25 residues pruned to eliminate duplicates Z: 46 38.361 2.175 0.645 0.576 0.911 0.422 CB 1.631 46 residues pruned to eliminate duplicates Z: 6 4.279 1.911 -0.047 0.484 0.800 0.800 CB 1.334 6 residues pruned to eliminate duplicates Z: 28 18.571 1.954 0.494 0.395 0.852 0.519 N 1.607 21 residues pruned to eliminate duplicates Z: 13 10.631 1.772 0.507 0.539 0.917 0.417 N 1.207 Z: 22 8.767 1.828 0.235 0.281 0.810 0.429 CB 1.341 16 residues pruned to eliminate duplicates Z: 17 10.048 2.007 0.459 0.345 0.812 0.500 CA 1.249 17 residues pruned to eliminate duplicates Z: 12 15.920 2.125 0.332 0.883 1.000 0.818 CA 1.226 12 residues pruned to eliminate duplicates Z: 19 9.243 1.989 0.301 0.347 0.778 0.278 CB 1.278 19 residues pruned to eliminate duplicates Z: 15 7.284 1.922 0.033 0.283 1.000 0.643 CA 1.252 15 residues pruned to eliminate duplicates Z: 10 18.458 1.941 0.416 0.911 1.000 1.000 CA 1.586 10 residues pruned to eliminate duplicates Z: 40 22.498 2.103 0.402 0.411 0.897 0.564 CA 1.495 40 residues pruned to eliminate duplicates Z: 10 9.632 1.941 0.289 0.441 0.889 0.556 CB 1.535 10 residues pruned to eliminate duplicates Z: 9 6.154 1.624 0.254 0.651 0.875 0.375 CB 1.060 7 residues pruned to eliminate duplicates Z: 28 35.352 1.994 0.691 0.787 1.000 0.741 CA 1.568 22 residues pruned to eliminate duplicates Z: 6 3.087 1.555 0.451 0.333 0.600 0.400 N 1.224 Z: 8 14.626 1.905 0.429 0.913 1.000 0.857 CA 1.438 8 residues pruned to eliminate duplicates Z: 11 8.203 2.040 0.449 0.482 0.700 0.400 CB 1.277 11 residues pruned to eliminate duplicates Z: 21 24.069 2.088 0.635 0.880 0.950 0.750 CA 1.202 21 residues pruned to eliminate duplicates Z: 15 26.172 2.244 0.600 0.832 0.857 0.714 CA 1.706 15 residues pruned to eliminate duplicates Z: 26 12.177 1.918 0.264 0.305 0.840 0.480 CA 1.486 26 residues pruned to eliminate duplicates Z: 19 9.424 2.083 0.300 0.336 0.722 0.500 CB 1.358 19 residues pruned to eliminate duplicates Z: 6 4.268 1.746 -0.059 0.683 1.000 0.600 CB 0.982 Z: 9 17.182 2.193 0.434 0.861 1.000 0.875 CB 1.419 9 residues pruned to eliminate duplicates Z: 19 17.568 2.087 0.384 0.469 0.944 0.611 CB 1.567 19 residues pruned to eliminate duplicates Z: 16 13.271 1.927 0.617 0.468 0.867 0.533 CB 1.311 16 residues pruned to eliminate duplicates Z: 21 19.077 2.072 0.551 0.425 0.950 0.600 CA 1.511 21 residues pruned to eliminate duplicates Z: 21 11.194 1.894 0.274 0.407 0.750 0.450 CA 1.525 21 residues pruned to eliminate duplicates Z: 15 9.748 1.978 0.309 0.321 0.857 0.500 CA 1.430 15 residues pruned to eliminate duplicates Z: 12 5.301 1.584 0.010 0.458 0.818 0.636 N 1.274 Z: 6 4.211 1.599 0.225 0.472 0.800 0.600 N 1.235 6 residues pruned to eliminate duplicates Z: 7 4.560 1.964 -0.119 0.384 0.833 0.500 CB 1.460 7 residues pruned to eliminate duplicates Z: 7 14.400 2.048 0.873 0.692 0.833 0.833 CA 1.543 7 residues pruned to eliminate duplicates Z: 10 15.120 1.938 0.449 0.601 1.000 0.778 N 1.631 10 residues pruned to eliminate duplicates Z: 17 25.496 2.077 0.661 0.881 0.938 0.625 CB 1.427 20 residues pruned to eliminate duplicates Z: 12 10.326 1.942 0.425 0.428 0.909 0.727 CA 1.335 14 residues pruned to eliminate duplicates Z: 7 3.590 1.724 -0.003 0.821 0.667 0.500 CA 0.968 7 residues pruned to eliminate duplicates Z: 26 12.528 1.893 0.118 0.393 0.840 0.520 CA 1.578 Z: 35 26.814 2.089 0.559 0.677 0.912 0.559 CA 1.316 35 residues pruned to eliminate duplicates Z: 24 14.045 2.011 0.343 0.438 0.913 0.565 CB 1.266 24 residues pruned to eliminate duplicates Z: 10 6.042 1.922 0.118 0.289 0.889 0.444 CB 1.337 10 residues pruned to eliminate duplicates Z: 41 34.952 2.119 0.669 0.693 0.925 0.475 CA 1.415 41 residues pruned to eliminate duplicates Z: 17 10.409 1.921 0.266 0.357 0.875 0.562 CA 1.427 16 residues pruned to eliminate duplicates Z: 22 15.839 2.049 0.493 0.480 0.857 0.524 CB 1.345 22 residues pruned to eliminate duplicates Z: 9 6.604 1.896 -0.035 0.628 0.750 0.500 CA 1.508 5 residues pruned to eliminate duplicates Z: 8 9.468 1.962 0.020 0.641 1.000 0.571 CA 1.568 7 residues pruned to eliminate duplicates Z: 12 17.706 1.994 0.664 0.837 0.818 0.636 CB 1.471 12 residues pruned to eliminate duplicates Z: 22 13.875 2.023 0.201 0.473 0.952 0.571 CB 1.344 22 residues pruned to eliminate duplicates Z: 20 32.007 2.272 0.576 0.881 0.947 0.474 CA 1.568 20 residues pruned to eliminate duplicates Z: 11 5.237 1.761 0.481 0.398 0.600 0.400 CB 1.179 8 residues pruned to eliminate duplicates Z: 39 23.254 2.132 0.428 0.448 0.895 0.526 CA 1.460 39 residues pruned to eliminate duplicates Z: 21 41.736 2.294 0.976 0.887 0.900 0.450 CB 1.649 21 residues pruned to eliminate duplicates Z: 14 17.651 2.052 0.588 0.798 0.769 0.385 CA 1.505 14 residues pruned to eliminate duplicates Z: 11 6.029 1.651 0.137 0.476 0.800 0.500 CA 1.300 7 residues pruned to eliminate duplicates Z: 11 9.766 2.074 0.380 0.460 0.800 0.500 CB 1.404 11 residues pruned to eliminate duplicates Z: 31 24.033 2.022 0.295 0.680 0.933 0.667 CA 1.521 31 residues pruned to eliminate duplicates Z: 20 8.292 1.783 0.533 0.328 0.684 0.474 CA 1.229 20 residues pruned to eliminate duplicates Z: 22 29.242 1.993 0.793 0.873 1.000 0.714 CA 1.301 22 residues pruned to eliminate duplicates Z: 12 12.160 2.016 0.330 0.792 0.909 0.636 CB 1.165 12 residues pruned to eliminate duplicates Z: 15 8.563 1.983 0.225 0.463 0.857 0.500 CA 1.141 15 residues pruned to eliminate duplicates Z: 32 39.188 2.263 0.710 0.687 0.903 0.484 CA 1.696 32 residues pruned to eliminate duplicates Z: 20 12.896 1.906 0.656 0.293 0.789 0.474 N 1.497 20 residues pruned to eliminate duplicates Z: 11 13.009 2.102 0.457 0.637 0.800 0.600 CB 1.478 11 residues pruned to eliminate duplicates Z: 8 6.161 1.842 0.030 0.615 0.857 0.429 CB 1.284 8 residues pruned to eliminate duplicates Z: 23 18.121 2.087 0.472 0.447 0.955 0.545 CA 1.392 23 residues pruned to eliminate duplicates Z: 10 6.162 1.847 0.258 0.364 0.889 0.556 N 1.151 10 residues pruned to eliminate duplicates Z: 26 13.410 1.916 0.436 0.425 0.840 0.400 CB 1.254 25 residues pruned to eliminate duplicates Z: 22 14.014 2.071 0.441 0.435 0.810 0.476 CA 1.353 22 residues pruned to eliminate duplicates Z: 62 47.486 2.178 0.746 0.546 0.918 0.459 CA 1.664 62 residues pruned to eliminate duplicates Z: 19 15.125 1.896 0.538 0.442 0.944 0.833 CB 1.374 19 residues pruned to eliminate duplicates Z: 10 5.236 1.600 0.211 0.625 0.889 0.556 CB 0.901 8 residues pruned to eliminate duplicates Z: 12 10.515 2.006 0.141 0.452 0.909 0.455 CB 1.601 12 residues pruned to eliminate duplicates 7 1.766 1.566 0.069 0.619 0.833 0.500 CB 0.462 ? Z: 12 6.137 1.606 0.374 0.269 0.818 0.545 CB 1.333 9 residues pruned to eliminate duplicates Z: 8 13.541 2.053 0.685 0.806 0.857 0.857 CB 1.322 8 residues pruned to eliminate duplicates Z: 23 25.332 1.860 0.845 0.859 1.000 0.545 CA 1.158 23 residues pruned to eliminate duplicates Z: 25 13.945 1.989 0.462 0.442 0.875 0.583 CB 1.188 23 residues pruned to eliminate duplicates Z: 39 17.857 1.913 0.231 0.379 0.921 0.474 CA 1.519 37 residues pruned to eliminate duplicates Z: 6 4.358 1.997 -0.255 0.520 1.000 0.400 N 1.283 6 residues pruned to eliminate duplicates Z: 8 4.814 1.792 0.318 0.396 0.714 0.571 CA 1.204 Z: 19 14.654 1.975 0.541 0.325 0.889 0.444 CA 1.547 19 residues pruned to eliminate duplicates Z: 21 56.347 2.357 1.131 0.938 1.000 0.700 CA 1.745 31 residues pruned to eliminate duplicates Z: 40 16.478 1.892 0.276 0.378 0.872 0.462 CB 1.429 40 residues pruned to eliminate duplicates Z: 6 2.988 1.546 0.275 0.438 0.800 0.800 CB 0.904 6 residues pruned to eliminate duplicates Z: 64 36.780 2.111 0.578 0.548 0.857 0.524 CB 1.548 64 residues pruned to eliminate duplicates Z: 10 7.080 1.559 0.142 0.653 0.889 0.556 O 1.293 10 residues pruned to eliminate duplicates Z: 43 44.793 2.268 0.622 0.651 0.976 0.595 CA 1.672 43 residues pruned to eliminate duplicates Z: 20 13.307 2.058 0.516 0.377 0.842 0.421 CA 1.326 20 residues pruned to eliminate duplicates Z: 35 17.293 1.909 0.245 0.421 0.941 0.618 CA 1.440 35 residues pruned to eliminate duplicates Z: 28 16.896 2.028 0.471 0.384 0.852 0.556 CA 1.447 28 residues pruned to eliminate duplicates Z: 12 10.953 1.906 0.368 0.449 0.909 0.455 CB 1.469 12 residues pruned to eliminate duplicates Z: 21 22.098 2.135 0.451 0.601 1.000 0.400 CB 1.449 21 residues pruned to eliminate duplicates Z: 14 10.501 1.842 0.431 0.469 0.923 0.769 CB 1.237 14 residues pruned to eliminate duplicates Z: 13 5.266 1.563 0.417 0.294 0.833 0.333 CB 1.037 8 residues pruned to eliminate duplicates Z: 6 10.269 1.808 0.302 0.822 1.000 1.000 CA 1.476 6 residues pruned to eliminate duplicates Z: 21 27.062 1.943 0.445 0.893 1.000 0.950 CA 1.547 21 residues pruned to eliminate duplicates Z: 8 9.755 1.830 0.330 0.612 1.000 0.714 N 1.361 7 residues pruned to eliminate duplicates Z: 6 3.744 1.458 0.927 0.403 1.000 0.400 CB 0.660 Z: 37 37.108 2.232 0.719 0.594 0.917 0.500 CA 1.607 27 residues pruned to eliminate duplicates Z: 45 32.614 2.055 0.547 0.618 0.955 0.705 CA 1.449 44 residues pruned to eliminate duplicates Z: 26 17.702 2.010 0.422 0.408 0.880 0.520 CB 1.550 26 residues pruned to eliminate duplicates Z: 11 8.041 1.977 0.347 0.747 0.700 0.500 CB 1.094 11 residues pruned to eliminate duplicates Z: 14 22.299 1.985 0.802 0.862 0.923 0.615 CB 1.376 14 residues pruned to eliminate duplicates Z: 23 8.266 1.727 0.113 0.358 0.818 0.409 CA 1.307 23 residues pruned to eliminate duplicates Z: 6 3.917 1.577 0.248 0.638 0.800 0.800 CB 0.978 Z: 7 5.723 1.584 0.688 0.345 0.833 0.667 CB 1.241 Z: 18 6.461 1.832 0.120 0.304 0.765 0.529 CB 1.243 18 residues pruned to eliminate duplicates Z: 6 3.447 1.787 0.785 0.557 1.000 0.400 CB 0.457 4 residues pruned to eliminate duplicates Z: 12 11.738 1.980 0.426 0.811 0.909 0.636 CB 1.051 12 residues pruned to eliminate duplicates Z: 18 28.004 1.950 0.845 0.859 0.941 0.647 CB 1.476 19 residues pruned to eliminate duplicates Z: 16 25.627 2.053 0.689 0.876 0.867 0.400 CA 1.600 16 residues pruned to eliminate duplicates Z: 39 27.380 2.084 0.470 0.619 0.921 0.553 CA 1.407 37 residues pruned to eliminate duplicates Z: 7 6.253 1.504 0.149 0.716 1.000 0.667 CB 1.215 6 residues pruned to eliminate duplicates Z: 9 3.779 1.310 0.412 0.372 0.750 0.375 N 1.104 Z: 18 18.410 2.128 0.038 0.897 1.000 0.765 CA 1.446 18 residues pruned to eliminate duplicates Z: 9 5.882 2.169 -0.011 0.752 0.625 0.625 CB 1.239 9 residues pruned to eliminate duplicates Z: 25 20.781 1.964 0.532 0.702 0.875 0.708 CB 1.340 25 residues pruned to eliminate duplicates Z: 14 11.742 1.868 0.326 0.486 1.000 0.769 CA 1.334 14 residues pruned to eliminate duplicates Z: 17 14.994 1.786 0.555 0.767 0.875 0.500 CA 1.217 17 residues pruned to eliminate duplicates Z: 39 22.735 2.087 0.417 0.428 0.895 0.500 CB 1.502 39 residues pruned to eliminate duplicates Z: 19 18.090 2.089 0.538 0.378 0.944 0.667 CA 1.601 19 residues pruned to eliminate duplicates Z: 16 20.095 1.953 0.680 0.848 1.000 0.800 CA 1.173 16 residues pruned to eliminate duplicates Z: 22 10.746 1.845 0.241 0.394 0.905 0.476 CB 1.267 22 residues pruned to eliminate duplicates Z: 7 6.678 1.697 0.209 0.616 0.833 0.667 O 1.429 6 1.755 1.366 0.431 0.479 1.000 0.600 CA 0.410 ? Z: 26 19.762 1.999 0.373 0.431 0.960 0.600 CA 1.612 26 residues pruned to eliminate duplicates Z: 7 3.694 1.402 0.500 0.528 0.667 0.500 CB 1.046 Z: 11 12.525 1.918 0.204 0.571 1.000 0.600 CA 1.602 12 residues pruned to eliminate duplicates Z: 17 11.134 1.750 0.454 0.493 0.875 0.500 CB 1.260 15 residues pruned to eliminate duplicates Z: 12 8.309 1.928 0.469 0.303 0.818 0.545 CB 1.347 12 residues pruned to eliminate duplicates Z: 9 4.591 1.711 0.472 0.482 0.750 0.500 CB 0.875 Z: 10 11.676 1.982 0.525 0.499 1.000 0.778 CB 1.290 10 residues pruned to eliminate duplicates Z: 6 4.042 1.954 0.181 0.450 0.600 0.400 CB 1.375 6 residues pruned to eliminate duplicates Z: 13 13.810 1.957 0.701 0.552 0.917 0.667 CB 1.242 13 residues pruned to eliminate duplicates Z: 19 13.481 2.118 0.350 0.355 0.889 0.556 CA 1.463 19 residues pruned to eliminate duplicates Z: 16 9.423 1.854 0.261 0.373 0.933 0.400 CB 1.278 16 residues pruned to eliminate duplicates Z: 34 27.846 2.085 0.509 0.716 0.970 0.667 CA 1.307 34 residues pruned to eliminate duplicates Z: 8 4.827 1.873 -0.045 0.645 0.714 0.714 CB 1.247 8 residues pruned to eliminate duplicates Z: 7 3.465 1.437 0.289 0.549 0.667 0.667 O 1.093 7 residues pruned to eliminate duplicates Z: 7 10.015 2.003 0.315 0.479 1.000 0.667 CB 1.586 7 residues pruned to eliminate duplicates Z: 17 9.460 1.675 0.731 0.315 0.938 0.500 CA 1.068 17 residues pruned to eliminate duplicates Z: 7 2.860 1.783 0.385 0.538 0.667 0.500 CB 0.683 7 residues pruned to eliminate duplicates Z: 17 22.723 2.148 0.348 0.894 0.938 0.875 CB 1.501 17 residues pruned to eliminate duplicates Z: 12 4.191 1.760 0.233 0.415 0.636 0.455 CB 1.001 12 residues pruned to eliminate duplicates Z: 23 13.524 2.011 0.313 0.555 0.818 0.500 CB 1.266 22 residues pruned to eliminate duplicates Z: 23 11.551 1.813 0.257 0.338 0.864 0.227 CA 1.492 22 residues pruned to eliminate duplicates Z: 28 32.551 2.237 0.694 0.631 0.926 0.556 CA 1.578 28 residues pruned to eliminate duplicates Z: 8 4.393 1.424 0.212 0.513 0.857 0.714 CB 1.108 Z: 40 15.114 1.866 0.224 0.350 0.897 0.538 CA 1.389 40 residues pruned to eliminate duplicates 6 1.677 1.183 0.521 0.704 0.800 0.800 CB 0.433 ? Z: 8 7.240 1.672 0.770 0.466 0.857 0.429 CB 1.116 8 residues pruned to eliminate duplicates Z: 10 10.931 1.973 0.348 0.531 0.889 0.667 CB 1.495 10 residues pruned to eliminate duplicates Z: 32 11.644 1.839 0.273 0.298 0.806 0.290 CB 1.388 32 residues pruned to eliminate duplicates Z: 8 2.631 1.327 0.603 0.223 0.714 0.286 CB 0.905 Z: 7 9.150 1.753 0.545 0.799 1.000 0.500 CB 1.061 Z: 6 3.426 1.229 0.555 0.505 0.800 0.600 CA 0.997 Z: 20 31.715 2.313 0.672 0.892 0.789 0.421 CB 1.712 20 residues pruned to eliminate duplicates Z: 22 23.399 1.961 0.537 0.910 1.000 0.667 CA 1.202 22 residues pruned to eliminate duplicates Z: 25 12.160 1.794 0.397 0.296 0.875 0.625 CA 1.422 25 residues pruned to eliminate duplicates Z: 11 10.045 1.828 0.526 0.715 0.700 0.600 CA 1.339 11 residues pruned to eliminate duplicates Z: 11 11.880 2.190 0.411 0.374 1.000 0.500 CB 1.391 12 residues pruned to eliminate duplicates Z: 11 5.698 1.896 0.338 0.327 0.600 0.500 CB 1.431 11 residues pruned to eliminate duplicates Z: 21 11.708 2.003 0.253 0.421 0.800 0.450 CA 1.416 21 residues pruned to eliminate duplicates 6 1.196 1.222 -0.114 0.566 0.600 0.400 CA 0.772 ? Z: 6 4.198 1.603 0.342 0.789 0.800 0.400 CA 0.846 6 residues pruned to eliminate duplicates Z: 9 10.640 1.765 0.788 0.498 0.875 0.625 CB 1.365 9 residues pruned to eliminate duplicates Z: 19 14.494 2.007 0.578 0.517 0.833 0.389 CA 1.273 19 residues pruned to eliminate duplicates Z: 13 7.094 1.922 0.197 0.389 0.750 0.500 CA 1.334 13 residues pruned to eliminate duplicates 10 1.536 1.409 -0.156 0.283 1.000 0.444 CB 0.550 ? Z: 7 13.197 1.841 0.673 0.764 1.000 1.000 CB 1.384 7 residues pruned to eliminate duplicates Z: 8 13.760 2.281 0.214 0.719 1.000 0.857 CA 1.541 8 residues pruned to eliminate duplicates Z: 14 19.567 1.970 0.820 0.494 0.923 0.462 CA 1.649 14 residues pruned to eliminate duplicates Z: 8 4.893 1.623 0.140 0.334 1.000 0.571 O 1.199 Z: 25 21.697 1.959 0.634 0.434 0.958 0.542 CB 1.545 25 residues pruned to eliminate duplicates Z: 15 8.097 1.739 0.388 0.426 0.786 0.500 CB 1.231 15 residues pruned to eliminate duplicates Z: 20 13.119 1.922 0.714 0.383 0.737 0.474 CA 1.404 20 residues pruned to eliminate duplicates Z: 21 26.189 1.905 1.015 0.866 0.900 0.750 CA 1.241 21 residues pruned to eliminate duplicates Z: 13 7.484 1.891 0.540 0.274 0.833 0.500 CB 1.150 13 residues pruned to eliminate duplicates Z: 38 15.381 1.884 0.331 0.345 0.865 0.459 CA 1.380 38 residues pruned to eliminate duplicates Z: 15 5.592 1.736 0.306 0.368 0.786 0.429 CB 0.967 15 residues pruned to eliminate duplicates Z: 6 2.198 1.575 -0.052 0.398 0.800 0.600 CA 0.916 Z: 23 14.812 1.987 0.486 0.368 0.818 0.500 N 1.506 23 residues pruned to eliminate duplicates Z: 18 15.178 1.966 0.666 0.368 0.941 0.588 CA 1.376 18 residues pruned to eliminate duplicates Z: 10 9.273 1.881 0.734 0.457 1.000 0.556 CB 0.991 10 residues pruned to eliminate duplicates Z: 10 18.269 2.021 0.644 0.768 1.000 0.889 CB 1.446 10 residues pruned to eliminate duplicates Z: 27 20.412 1.978 0.425 0.402 0.962 0.423 N 1.638 26 residues pruned to eliminate duplicates Z: 14 13.942 1.991 0.257 0.506 0.923 0.769 CB 1.664 14 residues pruned to eliminate duplicates Z: 6 3.805 1.423 0.304 0.424 1.000 0.800 CB 0.992 6 residues pruned to eliminate duplicates Z: 7 5.608 1.361 0.573 0.697 0.833 0.667 CB 1.073 Z: 6 2.863 1.398 0.072 0.298 1.000 0.800 CA 1.071 Z: 11 21.206 2.031 0.858 0.911 0.800 0.300 CA 1.574 11 residues pruned to eliminate duplicates 7 1.321 1.494 -0.058 0.316 0.667 0.333 CB 0.704 ? Z: 6 3.183 1.270 0.881 0.299 0.800 0.400 CA 0.933 Z: 13 10.271 1.973 0.250 0.343 0.917 0.417 CA 1.555 13 residues pruned to eliminate duplicates Z: 6 6.801 1.683 0.780 0.354 0.800 0.600 CB 1.487 Z: 14 9.336 2.010 0.165 0.347 0.923 0.385 CA 1.415 14 residues pruned to eliminate duplicates Z: 7 2.268 1.632 0.547 0.299 0.833 0.333 N 0.551 Z: 11 7.747 1.767 0.074 0.508 0.900 0.600 CB 1.423 11 residues pruned to eliminate duplicates Z: 21 27.828 1.936 1.041 0.857 0.900 0.650 CA 1.289 21 residues pruned to eliminate duplicates Z: 31 26.078 2.011 0.722 0.690 0.967 0.600 CA 1.195 31 residues pruned to eliminate duplicates Z: 18 9.773 2.023 0.195 0.381 0.765 0.412 CB 1.456 18 residues pruned to eliminate duplicates Z: 7 2.713 1.278 0.342 0.669 0.667 0.500 CB 0.829 7 residues pruned to eliminate duplicates Z: 11 7.284 1.825 0.218 0.525 0.900 0.700 CB 1.124 11 residues pruned to eliminate duplicates Z: 20 29.972 2.015 0.893 0.861 0.947 0.684 CA 1.398 20 residues pruned to eliminate duplicates Z: 30 22.287 2.139 0.581 0.445 0.828 0.448 CB 1.565 30 residues pruned to eliminate duplicates Z: 8 7.764 1.784 0.519 0.568 0.857 0.286 CB 1.184 8 residues pruned to eliminate duplicates Z: 7 3.588 1.710 0.028 0.382 0.833 0.333 CA 1.133 7 residues pruned to eliminate duplicates Z: 12 8.184 1.689 0.389 0.425 0.909 0.545 CA 1.251 12 residues pruned to eliminate duplicates Z: 8 3.400 1.886 0.423 0.451 0.714 0.571 CB 0.705 8 residues pruned to eliminate duplicates Z: 7 2.270 1.570 0.070 0.678 0.833 0.500 N 0.562 Z: 20 18.006 1.935 0.291 0.589 0.947 0.737 CB 1.602 20 residues pruned to eliminate duplicates Z: 14 8.196 1.654 0.846 0.548 0.769 0.385 CB 0.923 14 residues pruned to eliminate duplicates Z: 8 3.558 1.383 0.827 0.212 0.714 0.429 N 1.047 Z: 44 24.904 2.066 0.530 0.452 0.860 0.512 CB 1.466 43 residues pruned to eliminate duplicates Z: 12 14.861 1.986 0.421 0.886 0.909 0.727 CA 1.259 12 residues pruned to eliminate duplicates Z: 18 26.081 2.054 1.035 0.906 1.000 0.588 CA 1.076 18 residues pruned to eliminate duplicates Z: 24 21.021 2.043 0.526 0.726 0.957 0.826 CA 1.199 24 residues pruned to eliminate duplicates Z: 7 5.783 1.408 0.925 0.464 1.000 0.667 CA 0.904 Z: 6 2.309 1.343 0.216 0.496 0.800 0.600 CB 0.793 6 residues pruned to eliminate duplicates Z: 38 21.683 2.126 0.458 0.406 0.838 0.541 CB 1.515 38 residues pruned to eliminate duplicates Z: 20 25.855 2.138 0.437 0.601 1.000 0.579 CB 1.753 20 residues pruned to eliminate duplicates Z: 6 2.929 1.356 0.036 0.504 1.000 0.800 C 0.929 Z: 6 3.065 1.595 0.155 0.394 0.800 0.600 N 1.041 Z: 6 5.006 1.549 0.228 0.855 1.000 0.800 CB 0.869 6 residues pruned to eliminate duplicates Z: 12 9.101 1.996 0.218 0.445 0.818 0.455 CB 1.460 15 residues pruned to eliminate duplicates 7 1.881 1.364 -0.010 0.434 0.833 0.833 C 0.731 ? Z: 15 5.149 1.573 0.410 0.218 0.714 0.286 C 1.209 Z: 19 14.124 2.004 0.428 0.461 0.889 0.389 CB 1.362 18 residues pruned to eliminate duplicates Z: 8 3.465 1.479 0.392 0.494 0.714 0.571 CB 0.896 Z: 11 6.834 1.731 0.340 0.373 0.800 0.400 CB 1.333 11 residues pruned to eliminate duplicates Z: 16 8.069 1.935 0.229 0.345 0.733 0.267 CA 1.414 15 residues pruned to eliminate duplicates Z: 38 25.490 2.112 0.484 0.467 0.919 0.622 CB 1.504 38 residues pruned to eliminate duplicates Z: 11 3.049 1.513 0.294 0.291 0.600 0.400 CA 1.038 Z: 8 2.904 1.393 1.214 0.213 0.571 0.286 CB 0.873 Z: 14 11.759 2.114 0.370 0.545 0.846 0.538 CB 1.274 14 residues pruned to eliminate duplicates 7 -0.369 1.320 0.866 0.218 0.667 0.167 CB-0.128 ? 6 1.644 1.313 0.327 0.383 1.000 0.600 C 0.478 ? Z: 7 8.157 1.705 0.666 0.548 0.833 0.833 CB 1.342 9 residues pruned to eliminate duplicates Z: 15 6.506 1.848 0.495 0.194 0.857 0.429 CA 1.059 15 residues pruned to eliminate duplicates Z: 6 10.726 1.738 0.898 0.639 1.000 0.400 CA 1.277 6 residues pruned to eliminate duplicates Z: 7 2.375 1.404 0.433 0.249 0.667 0.333 CB 0.965 Z: 8 3.161 1.760 0.083 0.531 0.857 0.429 CB 0.709 Z: 11 4.121 1.418 0.523 0.258 0.800 0.400 CB 0.996 Z: 6 3.615 1.670 0.125 0.492 0.800 0.400 CB 1.084 6 residues pruned to eliminate duplicates Z: 12 11.194 1.830 0.694 0.549 0.909 0.455 CB 1.142 13 residues pruned to eliminate duplicates Z: 37 28.021 2.151 0.455 0.486 0.944 0.556 CA 1.602 38 residues pruned to eliminate duplicates Z: 9 4.026 1.886 0.001 0.386 0.750 0.375 CB 1.135 9 residues pruned to eliminate duplicates Z: 22 21.799 1.977 0.650 0.836 0.905 0.571 CB 1.206 22 residues pruned to eliminate duplicates Z: 17 9.840 1.769 0.213 0.430 0.875 0.438 CA 1.409 15 residues pruned to eliminate duplicates Z: 23 13.104 2.009 0.380 0.406 0.955 0.409 CB 1.165 23 residues pruned to eliminate duplicates Z: 19 9.580 2.105 0.300 0.347 0.722 0.333 CB 1.348 19 residues pruned to eliminate duplicates Z: 12 5.809 1.717 -0.057 0.473 1.000 0.455 CA 1.112 9 residues pruned to eliminate duplicates Z: 10 10.832 2.003 0.527 0.445 1.000 0.556 CA 1.250 10 residues pruned to eliminate duplicates Z: 13 18.876 2.016 0.503 0.757 1.000 0.750 CA 1.431 13 residues pruned to eliminate duplicates Z: 8 5.444 1.584 0.471 0.396 0.857 0.571 CA 1.150 6 residues pruned to eliminate duplicates Z: 12 4.614 1.394 0.562 0.390 0.909 0.364 CB 0.790 6 residues pruned to eliminate duplicates Z: 21 9.299 1.983 0.222 0.361 0.850 0.400 CB 1.173 21 residues pruned to eliminate duplicates Z: 17 29.209 2.012 0.674 0.816 1.000 0.500 CB 1.648 17 residues pruned to eliminate duplicates 8 1.972 1.287 0.328 0.214 0.571 0.429 N 1.069 ? Z: 22 41.977 2.264 0.787 0.874 1.000 0.619 CA 1.648 22 residues pruned to eliminate duplicates 6 1.521 1.516 -0.079 0.149 0.800 0.400 N 0.938 ? Z: 11 11.878 2.120 0.211 0.814 0.900 0.400 CB 1.238 11 residues pruned to eliminate duplicates Z: 9 3.153 1.502 0.112 0.403 0.750 0.375 N 0.986 Z: 11 6.879 1.743 0.688 0.341 0.700 0.400 CB 1.255 13 residues pruned to eliminate duplicates Z: 9 5.852 1.422 0.307 0.546 1.000 0.750 C 1.064 Z: 10 5.924 1.514 0.343 0.549 1.000 0.444 N 0.926 Z: 7 3.174 1.203 0.556 0.443 0.833 0.667 C 0.881 Z: 7 5.524 2.003 -0.225 0.471 1.000 0.167 CB 1.496 7 residues pruned to eliminate duplicates Z: 31 23.272 2.018 0.398 0.646 0.800 0.600 CB 1.642 31 residues pruned to eliminate duplicates Z: 13 15.110 1.969 0.501 0.885 0.917 0.667 CB 1.162 13 residues pruned to eliminate duplicates Z: 8 3.297 1.482 0.370 0.425 0.714 0.286 CB 0.929 8 1.990 1.654 -0.085 0.185 0.571 0.286 CB 1.269 ? Z: 9 2.000 1.313 0.315 0.215 0.625 0.500 CB 0.917 Z: 7 7.403 2.001 0.400 0.444 0.833 0.333 CB 1.372 7 residues pruned to eliminate duplicates Z: 24 12.677 1.867 0.342 0.414 0.913 0.565 CB 1.264 24 residues pruned to eliminate duplicates Z: 6 2.556 1.489 0.629 0.541 0.600 0.400 CB 0.755 Z: 8 6.232 1.566 0.266 0.481 1.000 0.571 N 1.211 10 residues pruned to eliminate duplicates Z: 52 29.989 2.112 0.483 0.548 0.804 0.471 CA 1.592 46 residues pruned to eliminate duplicates Z: 6 2.325 1.808 0.141 0.235 0.600 0.400 CB 1.143 6 residues pruned to eliminate duplicates Z: 13 12.234 2.049 0.541 0.332 1.000 0.500 CB 1.345 12 residues pruned to eliminate duplicates Z: 16 10.173 1.774 0.211 0.382 0.933 0.467 CB 1.486 16 residues pruned to eliminate duplicates Z: 13 5.023 1.645 0.500 0.202 0.667 0.417 CA 1.256 13 residues pruned to eliminate duplicates Z: 21 17.484 1.833 0.550 0.667 0.850 0.700 CB 1.387 21 residues pruned to eliminate duplicates Z: 28 16.322 1.917 0.370 0.466 0.815 0.593 N 1.520 28 residues pruned to eliminate duplicates Z: 6 6.459 1.577 0.144 0.793 1.000 0.800 CA 1.238 7 residues pruned to eliminate duplicates Z: 6 3.475 1.470 0.376 0.299 1.000 0.800 N 0.961 Z: 7 3.034 1.431 0.803 0.241 0.833 0.333 CB 0.778 Z: 7 3.018 1.355 0.593 0.496 0.833 0.333 CA 0.688 8 residues pruned to eliminate duplicates Z: 7 4.484 1.858 0.389 0.386 0.833 0.667 CB 0.961 7 residues pruned to eliminate duplicates Z: 15 11.509 1.781 0.332 0.767 0.857 0.643 CA 1.194 15 residues pruned to eliminate duplicates Z: 25 20.156 2.026 0.644 0.452 0.833 0.625 CB 1.557 25 residues pruned to eliminate duplicates Z: 38 20.592 2.032 0.373 0.421 0.892 0.514 CB 1.477 38 residues pruned to eliminate duplicates Z: 8 4.334 1.781 0.236 0.534 0.714 0.714 CB 1.008 8 residues pruned to eliminate duplicates Z: 8 4.987 1.667 0.097 0.702 0.857 0.571 CB 1.000 8 residues pruned to eliminate duplicates Z: 9 3.345 1.430 0.284 0.480 0.625 0.250 CB 1.052 7 1.235 1.508 0.371 0.107 0.333 0.167 O 1.206 ? Z: 6 2.439 1.611 0.030 0.411 0.600 0.400 CA 1.202 Z: 6 2.738 1.465 0.535 0.368 0.600 0.400 CA 1.045 Z: 10 7.986 1.763 0.306 0.531 0.778 0.556 CA 1.440 Z: 45 24.709 1.970 0.498 0.554 0.886 0.477 CA 1.351 45 residues pruned to eliminate duplicates Z: 18 7.487 1.680 0.324 0.332 0.824 0.529 CB 1.192 18 residues pruned to eliminate duplicates Z: 11 16.387 1.898 0.880 0.815 0.900 0.400 CA 1.228 11 residues pruned to eliminate duplicates Z: 12 14.321 1.993 0.117 0.856 1.000 0.909 CA 1.430 12 residues pruned to eliminate duplicates Z: 6 3.238 1.551 0.226 0.378 0.800 0.400 C 1.084 6 residues pruned to eliminate duplicates Z: 9 13.934 1.766 0.522 0.854 1.000 0.875 O 1.354 9 residues pruned to eliminate duplicates Z: 14 14.667 1.806 0.815 0.790 0.923 0.538 CA 1.042 14 residues pruned to eliminate duplicates 6 1.525 1.280 0.568 0.414 0.400 0.400 C 0.929 ? Z: 6 3.963 1.472 0.548 0.721 0.800 0.600 CA 0.797 6 1.346 1.285 0.116 0.267 0.600 0.400 CB 0.912 ? Z: 26 14.229 1.827 0.541 0.496 0.920 0.480 CA 1.102 26 residues pruned to eliminate duplicates Z: 12 3.153 1.445 0.350 0.467 0.636 0.545 CB 0.792 12 residues pruned to eliminate duplicates Z: 12 12.517 1.632 0.503 0.845 0.909 0.727 CB 1.258 12 residues pruned to eliminate duplicates Z: 7 2.652 1.546 0.698 0.220 0.667 0.500 N 0.859 6 1.748 1.458 0.029 0.574 0.800 0.600 CB 0.607 ? Z: 19 13.101 1.832 0.606 0.603 0.833 0.389 CB 1.142 19 residues pruned to eliminate duplicates Z: 12 6.164 1.686 0.242 0.501 0.818 0.636 CB 1.084 12 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 9.383 2.082 0.246 0.304 0.917 0.417 CB 1.417 13 residues pruned to eliminate duplicates Z: 6 8.108 1.943 0.891 0.534 0.800 0.600 CB 1.193 6 residues pruned to eliminate duplicates Z: 16 9.740 1.922 0.534 0.290 0.867 0.400 CB 1.245 15 residues pruned to eliminate duplicates Z: 7 5.613 1.698 0.237 0.464 1.000 0.500 CB 1.132 7 residues pruned to eliminate duplicates Z: 17 9.403 1.960 0.210 0.281 0.875 0.312 CB 1.451 17 residues pruned to eliminate duplicates Z: 16 8.236 1.901 0.232 0.275 0.933 0.400 CB 1.255 16 residues pruned to eliminate duplicates Z: 23 14.942 2.093 0.441 0.411 0.864 0.500 CB 1.343 23 residues pruned to eliminate duplicates Z: 23 15.959 2.072 0.350 0.479 0.909 0.545 CB 1.368 23 residues pruned to eliminate duplicates Z: 6 5.389 1.719 0.622 0.380 0.800 0.600 CA 1.228 6 residues pruned to eliminate duplicates Z: 20 18.156 2.147 0.338 0.504 0.947 0.632 CB 1.524 20 residues pruned to eliminate duplicates Z: 12 9.513 1.968 0.481 0.395 0.818 0.545 CB 1.343 12 residues pruned to eliminate duplicates Z: 24 16.622 2.062 0.338 0.499 0.913 0.609 CB 1.377 24 residues pruned to eliminate duplicates Z: 6 4.322 1.558 0.276 0.333 1.000 0.400 CB 1.167 6 residues pruned to eliminate duplicates Z: 23 15.400 2.059 0.389 0.464 0.864 0.409 CB 1.378 23 residues pruned to eliminate duplicates Z: 25 14.056 2.008 0.331 0.422 0.917 0.458 CB 1.271 25 residues pruned to eliminate duplicates Z: 26 14.653 1.965 0.367 0.443 0.880 0.440 CB 1.314 24 residues pruned to eliminate duplicates Z: 11 7.156 1.954 0.271 0.708 0.600 0.300 CB 1.257 11 residues pruned to eliminate duplicates Z: 12 11.912 2.152 0.398 0.537 0.909 0.545 CA 1.266 12 residues pruned to eliminate duplicates Z: 12 11.634 2.177 0.405 0.522 0.909 0.545 CA 1.235 15 residues pruned to eliminate duplicates Z: 8 8.400 2.013 0.413 0.430 0.857 0.143 CB 1.400 9 residues pruned to eliminate duplicates Z: 8 8.192 2.013 0.385 0.433 0.857 0.429 CB 1.388 8 residues pruned to eliminate duplicates Z: 9 8.406 1.988 0.508 0.477 0.875 0.375 CB 1.160 8 residues pruned to eliminate duplicates Z: 9 8.987 1.980 0.543 0.482 0.875 0.250 CB 1.210 9 residues pruned to eliminate duplicates Z: 8 11.583 2.048 0.658 0.506 0.857 0.429 CB 1.494 9 residues pruned to eliminate duplicates Z: 10 6.177 1.742 0.582 0.522 0.667 0.111 CB 1.096 10 residues pruned to eliminate duplicates Z: 15 10.540 1.812 0.521 0.442 1.000 0.714 CB 1.085 15 residues pruned to eliminate duplicates Z: 14 9.121 1.914 0.353 0.417 1.000 0.538 CA 1.066 12 residues pruned to eliminate duplicates Z: 14 10.139 1.875 0.303 0.476 1.000 0.769 CA 1.179 14 residues pruned to eliminate duplicates Z: 11 9.823 1.955 0.343 0.467 1.000 0.800 CA 1.223 11 residues pruned to eliminate duplicates Z: 14 12.323 1.898 0.434 0.462 1.000 0.769 CB 1.305 14 residues pruned to eliminate duplicates Z: 12 9.501 1.864 0.324 0.386 1.000 0.818 CA 1.310 12 residues pruned to eliminate duplicates Z: 15 10.874 1.854 0.477 0.497 0.857 0.714 CB 1.242 15 residues pruned to eliminate duplicates Z: 14 9.045 1.924 0.201 0.490 1.000 0.769 CA 1.096 14 residues pruned to eliminate duplicates Z: 16 11.620 1.912 0.348 0.382 1.000 0.600 CA 1.320 18 residues pruned to eliminate duplicates Z: 15 8.718 1.891 0.193 0.443 0.929 0.643 CB 1.179 15 residues pruned to eliminate duplicates Z: 16 9.335 1.890 0.326 0.321 0.867 0.600 CA 1.353 16 residues pruned to eliminate duplicates Z: 40 17.641 1.932 0.245 0.347 0.923 0.538 CA 1.501 40 residues pruned to eliminate duplicates Z: 17 10.170 1.856 0.246 0.399 1.000 0.688 CA 1.223 17 residues pruned to eliminate duplicates Z: 39 18.434 1.947 0.248 0.362 0.947 0.553 CA 1.506 41 residues pruned to eliminate duplicates Z: 6 3.723 1.702 0.081 0.470 1.000 0.400 CA 0.932 6 residues pruned to eliminate duplicates Z: 38 12.560 1.795 0.200 0.296 0.865 0.459 CB 1.393 38 residues pruned to eliminate duplicates Z: 19 8.763 1.944 0.099 0.297 0.833 0.500 CA 1.456 19 residues pruned to eliminate duplicates Z: 23 12.075 1.961 0.216 0.376 0.909 0.545 CA 1.357 23 residues pruned to eliminate duplicates Z: 23 14.409 1.954 0.196 0.409 0.909 0.364 CA 1.591 23 residues pruned to eliminate duplicates Z: 25 12.733 1.938 0.205 0.375 0.792 0.500 CA 1.605 25 residues pruned to eliminate duplicates Z: 40 17.395 1.903 0.217 0.396 0.949 0.538 CA 1.415 40 residues pruned to eliminate duplicates Z: 40 16.763 1.924 0.218 0.380 0.872 0.487 CB 1.493 40 residues pruned to eliminate duplicates Z: 25 12.977 1.917 0.220 0.371 0.833 0.583 CA 1.561 24 residues pruned to eliminate duplicates Z: 7 4.033 1.703 0.433 0.261 0.667 0.167 CA 1.329 7 residues pruned to eliminate duplicates Z: 26 10.883 1.880 0.174 0.290 0.840 0.440 CB 1.486 26 residues pruned to eliminate duplicates Z: 40 16.027 1.923 0.271 0.339 0.846 0.436 CB 1.478 39 residues pruned to eliminate duplicates Z: 21 12.962 2.023 0.165 0.338 0.900 0.350 CA 1.631 21 residues pruned to eliminate duplicates Z: 26 11.836 1.834 0.164 0.321 0.960 0.360 CB 1.408 26 residues pruned to eliminate duplicates Z: 18 8.477 1.834 0.231 0.262 0.824 0.235 CB 1.452 18 residues pruned to eliminate duplicates Z: 19 11.070 1.920 0.195 0.358 0.889 0.500 CB 1.492 20 residues pruned to eliminate duplicates Z: 6 5.441 1.666 0.010 0.829 1.000 0.600 CA 1.089 8 residues pruned to eliminate duplicates Z: 8 5.812 1.364 0.713 0.449 0.857 0.429 N 1.156 8 residues pruned to eliminate duplicates Z: 38 25.728 2.135 0.542 0.466 0.892 0.568 CA 1.492 38 residues pruned to eliminate duplicates Z: 19 16.699 2.148 0.550 0.298 0.944 0.389 CA 1.568 19 residues pruned to eliminate duplicates Z: 8 10.966 1.729 1.007 0.352 1.000 0.286 CA 1.402 8 residues pruned to eliminate duplicates Z: 26 18.533 2.140 0.556 0.418 0.840 0.480 CA 1.443 26 residues pruned to eliminate duplicates Z: 26 18.062 2.112 0.439 0.421 0.840 0.360 CA 1.537 26 residues pruned to eliminate duplicates Z: 26 18.484 2.141 0.412 0.406 0.880 0.560 CA 1.534 26 residues pruned to eliminate duplicates Z: 26 18.723 2.141 0.491 0.368 0.880 0.480 CA 1.536 26 residues pruned to eliminate duplicates Z: 18 13.749 2.163 0.512 0.287 0.765 0.412 CB 1.695 18 residues pruned to eliminate duplicates Z: 21 16.101 2.131 0.424 0.359 0.850 0.400 CB 1.625 21 residues pruned to eliminate duplicates Z: 17 17.206 2.198 0.573 0.293 1.000 0.688 CA 1.568 17 residues pruned to eliminate duplicates Z: 18 13.401 2.155 0.500 0.300 0.765 0.529 CB 1.644 17 residues pruned to eliminate duplicates Z: 8 7.878 1.809 0.580 0.403 0.857 0.286 CA 1.346 8 residues pruned to eliminate duplicates Z: 19 21.114 2.089 0.785 0.322 1.000 0.444 CA 1.624 20 residues pruned to eliminate duplicates Z: 6 6.357 1.601 0.643 0.636 0.800 0.200 CA 1.189 6 residues pruned to eliminate duplicates Z: 25 21.223 2.127 0.441 0.430 1.000 0.542 CA 1.519 25 residues pruned to eliminate duplicates Z: 45 23.185 2.074 0.479 0.428 0.841 0.545 CB 1.460 45 residues pruned to eliminate duplicates Z: 25 15.670 1.959 0.549 0.519 0.792 0.458 CA 1.307 25 residues pruned to eliminate duplicates Z: 27 20.864 2.118 0.521 0.413 0.923 0.423 CA 1.508 27 residues pruned to eliminate duplicates Z: 38 25.945 2.174 0.470 0.460 0.865 0.568 CA 1.608 38 residues pruned to eliminate duplicates Z: 38 24.094 2.151 0.437 0.439 0.865 0.486 CB 1.578 38 residues pruned to eliminate duplicates Z: 26 18.377 2.110 0.520 0.396 0.880 0.520 CA 1.452 26 residues pruned to eliminate duplicates Z: 40 23.632 2.099 0.487 0.424 0.872 0.513 CA 1.505 40 residues pruned to eliminate duplicates Z: 39 26.777 2.158 0.608 0.475 0.842 0.605 CB 1.524 39 residues pruned to eliminate duplicates Z: 40 24.531 2.124 0.516 0.412 0.872 0.538 CA 1.534 40 residues pruned to eliminate duplicates Z: 40 24.463 2.100 0.530 0.465 0.872 0.538 CA 1.450 40 residues pruned to eliminate duplicates Z: 38 27.663 2.145 0.614 0.445 0.892 0.568 CA 1.558 38 residues pruned to eliminate duplicates Z: 6 5.244 1.721 0.581 0.386 1.000 0.400 CB 0.973 6 residues pruned to eliminate duplicates Z: 12 18.467 2.248 0.487 0.697 0.909 0.455 CB 1.530 12 residues pruned to eliminate duplicates Z: 40 25.077 2.101 0.470 0.458 0.923 0.538 CA 1.469 40 residues pruned to eliminate duplicates Z: 40 26.695 2.098 0.496 0.448 0.949 0.513 CB 1.515 40 residues pruned to eliminate duplicates Z: 37 20.806 2.097 0.418 0.401 0.861 0.583 CA 1.503 37 residues pruned to eliminate duplicates Z: 38 21.514 2.097 0.371 0.457 0.892 0.568 CA 1.442 38 residues pruned to eliminate duplicates Z: 9 8.882 1.842 0.787 0.790 0.500 0.125 CB 1.479 7 residues pruned to eliminate duplicates Z: 7 8.422 1.633 0.565 0.824 1.000 0.333 CA 1.016 7 residues pruned to eliminate duplicates Z: 11 11.838 1.751 0.664 0.731 0.800 0.300 CB 1.305 11 residues pruned to eliminate duplicates Z: 9 7.367 1.862 0.647 0.802 0.500 0.125 CB 1.305 9 residues pruned to eliminate duplicates Z: 6 4.342 1.650 0.645 0.452 0.600 0.400 CA 1.252 6 residues pruned to eliminate duplicates Z: 7 7.553 1.887 0.839 0.435 0.667 0.500 N 1.425 13 residues pruned to eliminate duplicates Z: 6 7.025 1.668 0.729 0.268 1.000 0.400 CB 1.418 6 residues pruned to eliminate duplicates Z: 28 20.795 1.979 0.556 0.333 0.963 0.519 N 1.621 28 residues pruned to eliminate duplicates Z: 6 2.048 1.286 0.103 0.236 1.000 0.400 N 0.876 6 residues pruned to eliminate duplicates Z: 25 18.486 2.017 0.525 0.365 0.875 0.417 N 1.622 25 residues pruned to eliminate duplicates Z: 26 19.114 2.026 0.442 0.376 0.920 0.440 N 1.623 26 residues pruned to eliminate duplicates Z: 15 9.749 1.939 0.630 0.251 0.714 0.214 CA 1.537 15 residues pruned to eliminate duplicates Z: 19 19.022 2.041 0.601 0.399 0.944 0.389 N 1.616 19 residues pruned to eliminate duplicates Z: 8 6.919 1.960 0.274 0.444 0.857 0.429 CA 1.294 8 residues pruned to eliminate duplicates Z: 28 14.612 1.917 0.422 0.342 0.889 0.407 N 1.378 28 residues pruned to eliminate duplicates Z: 28 19.226 1.923 0.612 0.311 0.963 0.481 N 1.528 27 residues pruned to eliminate duplicates Z: 8 6.005 1.859 0.535 0.430 0.857 0.571 N 0.998 8 residues pruned to eliminate duplicates Z: 21 16.047 2.003 0.392 0.423 0.900 0.600 CB 1.549 21 residues pruned to eliminate duplicates Z: 22 10.837 1.846 0.372 0.357 0.810 0.476 CB 1.345 22 residues pruned to eliminate duplicates Z: 23 15.014 1.928 0.321 0.431 0.909 0.591 N 1.484 23 residues pruned to eliminate duplicates Z: 17 13.791 1.947 0.323 0.425 1.000 0.625 CB 1.448 17 residues pruned to eliminate duplicates Z: 27 15.472 1.914 0.536 0.311 0.846 0.577 N 1.504 27 residues pruned to eliminate duplicates Z: 26 17.714 1.986 0.449 0.347 0.920 0.560 N 1.581 26 residues pruned to eliminate duplicates Z: 16 14.117 1.946 0.342 0.519 1.000 0.667 N 1.371 16 residues pruned to eliminate duplicates Z: 27 18.602 1.983 0.574 0.363 0.846 0.615 N 1.600 27 residues pruned to eliminate duplicates Z: 26 18.316 1.975 0.510 0.391 0.920 0.520 N 1.499 26 residues pruned to eliminate duplicates Z: 27 15.659 1.917 0.332 0.340 0.962 0.500 CA 1.488 27 residues pruned to eliminate duplicates Z: 13 12.286 1.929 0.234 0.510 1.000 0.833 CB 1.474 13 residues pruned to eliminate duplicates Z: 8 5.423 1.611 0.124 0.408 1.000 0.571 CA 1.247 5 residues pruned to eliminate duplicates Z: 7 5.716 1.937 0.195 0.313 0.833 0.333 CA 1.488 7 residues pruned to eliminate duplicates Z: 24 15.234 1.965 0.475 0.383 0.870 0.348 CB 1.428 24 residues pruned to eliminate duplicates Z: 22 17.441 2.040 0.448 0.421 0.952 0.286 CA 1.468 22 residues pruned to eliminate duplicates Z: 75 31.911 2.084 0.328 0.523 0.892 0.568 CA 1.470 75 residues pruned to eliminate duplicates Z: 21 7.012 1.938 0.354 0.214 0.750 0.300 CB 1.116 21 residues pruned to eliminate duplicates Z: 27 17.740 2.045 0.361 0.425 0.885 0.538 CB 1.527 27 residues pruned to eliminate duplicates Z: 22 13.247 2.044 0.383 0.361 0.857 0.381 CA 1.387 22 residues pruned to eliminate duplicates Z: 22 13.625 1.910 0.325 0.373 0.905 0.286 CB 1.487 22 residues pruned to eliminate duplicates Z: 22 14.586 2.011 0.451 0.398 0.905 0.524 CA 1.343 22 residues pruned to eliminate duplicates Z: 12 7.264 1.905 0.538 0.414 0.727 0.455 CB 1.125 12 residues pruned to eliminate duplicates Z: 10 10.493 1.981 0.645 0.545 0.889 0.444 CA 1.157 10 residues pruned to eliminate duplicates Z: 21 13.654 1.996 0.575 0.364 0.850 0.400 CA 1.322 21 residues pruned to eliminate duplicates Z: 7 7.490 1.915 0.923 0.374 1.000 0.667 CA 0.950 7 residues pruned to eliminate duplicates Z: 10 10.349 1.987 0.602 0.499 0.889 0.556 CA 1.220 10 residues pruned to eliminate duplicates Z: 74 39.002 2.070 0.446 0.562 0.932 0.603 CA 1.541 73 residues pruned to eliminate duplicates Z: 6 2.675 1.167 1.122 0.456 1.000 0.800 CA 0.506 6 residues pruned to eliminate duplicates Z: 36 22.647 2.059 0.428 0.526 0.886 0.543 CA 1.433 40 residues pruned to eliminate duplicates Z: 14 16.349 2.128 0.364 0.795 0.923 0.615 CA 1.307 14 residues pruned to eliminate duplicates Z: 48 26.433 2.030 0.419 0.566 0.936 0.553 CA 1.341 47 residues pruned to eliminate duplicates Z: 12 20.753 2.090 0.597 0.872 0.909 0.636 CB 1.503 12 residues pruned to eliminate duplicates Z: 42 30.725 2.031 0.548 0.645 0.976 0.634 CA 1.367 42 residues pruned to eliminate duplicates Z: 19 17.719 2.072 0.530 0.763 0.944 0.778 CA 1.105 19 residues pruned to eliminate duplicates Z: 44 31.678 2.079 0.458 0.682 0.977 0.744 CA 1.381 44 residues pruned to eliminate duplicates Z: 60 26.998 2.005 0.393 0.531 0.881 0.576 CA 1.384 60 residues pruned to eliminate duplicates Z: 27 17.482 2.065 0.404 0.621 0.962 0.808 CA 1.097 27 residues pruned to eliminate duplicates Z: 68 35.435 2.082 0.400 0.591 0.940 0.657 CA 1.447 68 residues pruned to eliminate duplicates Z: 32 26.530 2.097 0.522 0.719 0.968 0.613 CA 1.265 32 residues pruned to eliminate duplicates Z: 38 32.575 2.111 0.587 0.703 0.946 0.649 CA 1.405 38 residues pruned to eliminate duplicates Z: 35 22.750 2.020 0.624 0.664 0.824 0.559 CA 1.241 35 residues pruned to eliminate duplicates Z: 32 28.226 2.055 0.617 0.727 0.935 0.452 CA 1.330 32 residues pruned to eliminate duplicates Z: 30 25.536 2.000 0.670 0.647 0.931 0.586 CA 1.329 30 residues pruned to eliminate duplicates Z: 18 24.080 2.141 0.966 0.797 0.882 0.529 CA 1.212 18 residues pruned to eliminate duplicates Z: 25 21.612 2.036 0.681 0.675 0.958 0.625 CA 1.145 25 residues pruned to eliminate duplicates Z: 30 28.983 2.104 0.727 0.712 0.897 0.586 CA 1.363 30 residues pruned to eliminate duplicates Z: 70 35.859 2.044 0.561 0.527 0.899 0.493 CA 1.466 70 residues pruned to eliminate duplicates Z: 47 25.776 2.035 0.592 0.535 0.848 0.478 CA 1.337 47 residues pruned to eliminate duplicates Z: 61 39.833 2.102 0.603 0.575 0.933 0.567 CA 1.521 61 residues pruned to eliminate duplicates Z: 66 46.843 2.116 0.731 0.592 0.954 0.523 CA 1.524 67 residues pruned to eliminate duplicates Z: 22 21.015 1.886 0.830 0.719 0.857 0.238 CA 1.271 22 residues pruned to eliminate duplicates Z: 75 39.549 2.062 0.515 0.559 0.932 0.622 CA 1.490 75 residues pruned to eliminate duplicates Z: 35 28.485 2.083 0.631 0.667 0.941 0.529 CA 1.309 35 residues pruned to eliminate duplicates Z: 65 36.382 2.098 0.568 0.567 0.875 0.516 CA 1.481 65 residues pruned to eliminate duplicates Z: 46 35.008 2.102 0.736 0.626 0.933 0.578 CA 1.360 46 residues pruned to eliminate duplicates Z: 67 43.801 2.111 0.632 0.591 0.924 0.576 CB 1.553 67 residues pruned to eliminate duplicates Z: 67 40.925 2.119 0.542 0.581 0.924 0.636 CA 1.543 67 residues pruned to eliminate duplicates Z: 46 33.451 2.132 0.555 0.496 0.956 0.578 CB 1.580 46 residues pruned to eliminate duplicates Z: 35 34.253 2.121 0.758 0.723 0.912 0.500 CA 1.413 35 residues pruned to eliminate duplicates Z: 66 44.591 2.135 0.655 0.575 0.969 0.446 CA 1.502 70 residues pruned to eliminate duplicates Z: 13 20.126 1.919 0.775 0.794 0.917 0.667 CA 1.437 13 residues pruned to eliminate duplicates Z: 68 40.455 2.093 0.627 0.563 0.925 0.537 CA 1.475 68 residues pruned to eliminate duplicates Z: 47 32.589 2.046 0.781 0.625 0.891 0.478 CA 1.315 47 residues pruned to eliminate duplicates Z: 63 40.240 2.054 0.700 0.553 0.919 0.661 CA 1.512 63 residues pruned to eliminate duplicates Z: 46 39.077 2.112 0.695 0.664 0.956 0.556 CA 1.464 46 residues pruned to eliminate duplicates Z: 12 14.429 2.094 0.556 0.395 0.909 0.545 CB 1.641 12 residues pruned to eliminate duplicates Z: 65 44.683 2.129 0.626 0.616 0.969 0.531 CA 1.492 66 residues pruned to eliminate duplicates Z: 6 5.581 1.492 0.642 0.422 1.000 0.600 CA 1.105 6 residues pruned to eliminate duplicates Z: 48 33.818 2.066 0.743 0.600 0.915 0.553 CA 1.362 48 residues pruned to eliminate duplicates Z: 33 25.699 2.085 0.585 0.414 0.906 0.531 CB 1.660 32 residues pruned to eliminate duplicates Z: 6 4.616 1.934 0.461 0.405 0.800 0.200 CA 1.009 6 residues pruned to eliminate duplicates Z: 39 24.528 2.021 0.609 0.415 0.868 0.368 CB 1.540 39 residues pruned to eliminate duplicates Z: 65 41.741 2.128 0.594 0.589 0.938 0.656 CA 1.506 65 residues pruned to eliminate duplicates Z: 66 36.879 2.074 0.589 0.555 0.862 0.462 CA 1.528 66 residues pruned to eliminate duplicates Z: 32 25.454 2.101 0.657 0.422 0.871 0.548 CB 1.634 32 residues pruned to eliminate duplicates Z: 23 15.290 2.096 0.313 0.426 0.773 0.500 CB 1.655 23 residues pruned to eliminate duplicates Z: 45 25.573 2.074 0.508 0.437 0.841 0.568 CB 1.564 45 residues pruned to eliminate duplicates Z: 86 41.366 2.081 0.543 0.526 0.918 0.565 CA 1.484 86 residues pruned to eliminate duplicates Z: 26 17.438 1.984 0.378 0.402 0.880 0.560 CB 1.607 26 residues pruned to eliminate duplicates Z: 45 25.846 2.022 0.607 0.410 0.864 0.455 CB 1.525 45 residues pruned to eliminate duplicates Z: 25 19.003 2.093 0.396 0.445 0.875 0.583 CB 1.606 25 residues pruned to eliminate duplicates Z: 86 44.840 2.108 0.538 0.550 0.929 0.518 CA 1.537 86 residues pruned to eliminate duplicates Z: 17 15.342 2.117 0.397 0.409 0.875 0.500 CB 1.629 17 residues pruned to eliminate duplicates Z: 24 18.465 2.077 0.508 0.376 0.913 0.522 CA 1.537 24 residues pruned to eliminate duplicates Z: 62 35.584 2.023 0.615 0.555 0.902 0.475 CA 1.465 62 residues pruned to eliminate duplicates Z: 22 23.388 2.184 0.503 0.518 0.905 0.619 CB 1.688 22 residues pruned to eliminate duplicates Z: 11 17.528 1.887 0.558 0.865 1.000 1.000 CA 1.381 11 residues pruned to eliminate duplicates Z: 21 17.622 2.027 0.323 0.546 0.850 0.600 CB 1.654 21 residues pruned to eliminate duplicates Z: 65 38.203 2.082 0.613 0.567 0.891 0.516 CA 1.496 65 residues pruned to eliminate duplicates Z: 67 37.275 2.039 0.666 0.543 0.879 0.455 CA 1.474 67 residues pruned to eliminate duplicates Z: 7 5.681 1.839 0.812 0.394 0.667 0.000 CB 1.168 7 residues pruned to eliminate duplicates Z: 19 13.470 1.897 0.625 0.440 0.778 0.333 CB 1.409 19 residues pruned to eliminate duplicates Z: 77 44.468 2.056 0.617 0.593 0.974 0.539 CA 1.441 77 residues pruned to eliminate duplicates Z: 14 11.051 1.996 0.482 0.350 0.846 0.615 CB 1.441 13 residues pruned to eliminate duplicates Z: 8 5.885 1.612 0.935 0.350 0.714 0.143 CA 1.175 8 residues pruned to eliminate duplicates Z: 6 5.158 2.009 0.390 0.207 0.800 0.400 CA 1.461 6 residues pruned to eliminate duplicates Z: 9 7.496 2.137 0.231 0.355 0.875 0.750 CB 1.347 9 residues pruned to eliminate duplicates Z: 11 12.716 2.188 0.635 0.312 0.900 0.500 CB 1.539 11 residues pruned to eliminate duplicates Z: 12 11.347 2.102 0.509 0.298 0.909 0.545 CB 1.487 12 residues pruned to eliminate duplicates Z: 12 12.230 2.118 0.562 0.305 0.909 0.636 CB 1.522 12 residues pruned to eliminate duplicates Z: 12 10.622 2.136 0.566 0.320 0.818 0.545 CB 1.427 12 residues pruned to eliminate duplicates Z: 12 9.798 2.131 0.505 0.283 0.818 0.545 CB 1.438 12 residues pruned to eliminate duplicates Z: 6 5.488 1.599 0.766 0.445 0.800 0.400 CA 1.149 4 residues pruned to eliminate duplicates Z: 6 3.367 1.725 0.292 0.327 0.800 0.400 CA 1.021 6 residues pruned to eliminate duplicates Z: 40 38.331 2.260 0.523 0.651 0.974 0.769 CA 1.590 40 residues pruned to eliminate duplicates Z: 38 31.351 2.223 0.688 0.559 0.865 0.622 CA 1.500 38 residues pruned to eliminate duplicates Z: 45 44.828 2.253 0.752 0.634 0.932 0.659 CA 1.620 46 residues pruned to eliminate duplicates Z: 6 2.295 1.393 0.356 0.363 1.000 0.400 CA 0.630 6 residues pruned to eliminate duplicates Z: 40 42.366 2.284 0.594 0.662 1.000 0.641 CA 1.603 39 residues pruned to eliminate duplicates Z: 20 37.704 2.275 0.764 0.835 1.000 0.684 CA 1.615 20 residues pruned to eliminate duplicates Z: 51 45.975 2.232 0.622 0.617 0.960 0.580 CA 1.675 51 residues pruned to eliminate duplicates Z: 61 42.976 2.219 0.645 0.529 0.917 0.550 CA 1.610 61 residues pruned to eliminate duplicates Z: 45 36.296 2.212 0.540 0.594 0.909 0.614 CA 1.616 45 residues pruned to eliminate duplicates Z: 44 39.647 2.268 0.621 0.629 0.907 0.558 CB 1.606 44 residues pruned to eliminate duplicates Z: 42 38.978 2.257 0.616 0.656 0.902 0.439 CB 1.599 42 residues pruned to eliminate duplicates Z: 41 45.467 2.254 0.735 0.651 0.950 0.600 CA 1.681 41 residues pruned to eliminate duplicates Z: 46 42.610 2.238 0.695 0.599 0.933 0.600 CA 1.633 46 residues pruned to eliminate duplicates Z: 62 47.429 2.204 0.673 0.551 0.967 0.475 CA 1.620 62 residues pruned to eliminate duplicates Z: 41 46.340 2.272 0.668 0.697 0.975 0.550 CB 1.656 41 residues pruned to eliminate duplicates Z: 36 46.788 2.278 0.761 0.719 0.971 0.571 CB 1.664 36 residues pruned to eliminate duplicates Z: 86 45.503 2.185 0.464 0.522 0.894 0.576 CB 1.690 86 residues pruned to eliminate duplicates Z: 50 47.977 2.249 0.662 0.651 0.980 0.490 CB 1.626 50 residues pruned to eliminate duplicates Z: 44 46.839 2.285 0.749 0.653 0.884 0.535 CA 1.753 44 residues pruned to eliminate duplicates Z: 40 43.071 2.283 0.818 0.617 0.923 0.538 CA 1.613 40 residues pruned to eliminate duplicates Z: 45 40.986 2.213 0.662 0.618 0.932 0.545 CB 1.612 45 residues pruned to eliminate duplicates Z: 50 41.422 2.204 0.675 0.604 0.918 0.510 CB 1.581 50 residues pruned to eliminate duplicates Z: 61 43.895 2.246 0.602 0.530 0.900 0.400 CA 1.699 61 residues pruned to eliminate duplicates Z: 39 45.720 2.275 0.803 0.708 0.895 0.421 CB 1.673 39 residues pruned to eliminate duplicates Z: 46 42.680 2.210 0.667 0.626 0.911 0.489 CB 1.684 46 residues pruned to eliminate duplicates Z: 40 39.217 2.301 0.740 0.618 0.846 0.385 CA 1.657 40 residues pruned to eliminate duplicates Z: 44 40.894 2.246 0.666 0.618 0.884 0.372 CB 1.687 44 residues pruned to eliminate duplicates Z: 61 47.698 2.197 0.669 0.563 0.967 0.650 CB 1.635 61 residues pruned to eliminate duplicates Z: 44 46.463 2.272 0.619 0.663 0.977 0.535 CB 1.696 44 residues pruned to eliminate duplicates Z: 60 43.080 2.245 0.607 0.547 0.915 0.424 CB 1.622 60 residues pruned to eliminate duplicates Z: 53 45.923 2.233 0.652 0.627 0.923 0.519 CA 1.659 53 residues pruned to eliminate duplicates Z: 66 41.984 2.209 0.533 0.522 0.954 0.462 CB 1.577 66 residues pruned to eliminate duplicates Z: 45 33.569 2.129 0.573 0.547 0.909 0.318 CB 1.587 45 residues pruned to eliminate duplicates Z: 16 16.345 2.199 0.377 0.550 0.867 0.400 CB 1.531 16 residues pruned to eliminate duplicates Z: 45 48.512 2.244 0.668 0.654 0.977 0.432 CB 1.732 45 residues pruned to eliminate duplicates Z: 75 42.102 2.218 0.566 0.501 0.865 0.405 CA 1.628 75 residues pruned to eliminate duplicates Z: 60 38.660 2.185 0.505 0.550 0.932 0.508 CA 1.564 60 residues pruned to eliminate duplicates Z: 49 40.682 2.216 0.688 0.595 0.875 0.458 CA 1.639 49 residues pruned to eliminate duplicates Z: 53 41.021 2.216 0.647 0.574 0.865 0.462 CA 1.676 53 residues pruned to eliminate duplicates Z: 71 43.808 2.232 0.561 0.529 0.914 0.429 CA 1.598 71 residues pruned to eliminate duplicates Z: 54 40.450 2.170 0.590 0.575 0.906 0.434 CA 1.653 54 residues pruned to eliminate duplicates Z: 98 52.634 2.192 0.504 0.564 0.918 0.557 CA 1.660 98 residues pruned to eliminate duplicates Z: 34 17.820 2.156 0.217 0.394 0.879 0.333 CB 1.506 34 residues pruned to eliminate duplicates Z: 60 43.111 2.220 0.611 0.546 0.915 0.458 CB 1.638 60 residues pruned to eliminate duplicates Z: 18 12.567 2.162 0.355 0.229 0.882 0.353 CA 1.618 18 residues pruned to eliminate duplicates Z: 74 44.188 2.207 0.578 0.523 0.918 0.589 CA 1.581 74 residues pruned to eliminate duplicates Z: 29 18.901 2.154 0.478 0.319 0.857 0.464 CB 1.599 29 residues pruned to eliminate duplicates Z: 63 34.962 2.121 0.639 0.496 0.823 0.371 CB 1.558 63 residues pruned to eliminate duplicates Z: 64 43.099 2.184 0.663 0.520 0.921 0.429 CB 1.592 64 residues pruned to eliminate duplicates Z: 20 11.717 2.144 0.517 0.210 0.789 0.421 CB 1.475 20 residues pruned to eliminate duplicates Z: 19 12.754 2.116 0.426 0.234 0.889 0.389 CB 1.528 19 residues pruned to eliminate duplicates Z: 21 13.090 2.057 0.509 0.277 0.850 0.400 CB 1.427 21 residues pruned to eliminate duplicates Z: 8 7.156 2.260 0.537 0.154 0.857 0.286 CA 1.389 8 residues pruned to eliminate duplicates Z: 54 39.276 2.178 0.686 0.562 0.906 0.491 CB 1.528 54 residues pruned to eliminate duplicates Z: 19 15.212 2.207 0.496 0.329 0.889 0.556 CA 1.474 19 residues pruned to eliminate duplicates Z: 22 17.581 2.196 0.366 0.388 0.952 0.619 CA 1.512 22 residues pruned to eliminate duplicates Z: 21 16.619 2.208 0.342 0.366 0.950 0.500 CA 1.525 21 residues pruned to eliminate duplicates Z: 87 48.758 2.184 0.582 0.506 0.895 0.547 CA 1.689 87 residues pruned to eliminate duplicates Z: 14 12.620 2.135 0.520 0.458 0.923 0.692 CA 1.219 14 residues pruned to eliminate duplicates Z: 37 24.436 2.102 0.279 0.539 0.889 0.694 CA 1.640 37 residues pruned to eliminate duplicates Z: 9 14.729 2.309 0.208 0.653 1.000 0.750 CA 1.620 9 residues pruned to eliminate duplicates Z: 63 31.228 2.050 0.492 0.472 0.871 0.629 CA 1.531 63 residues pruned to eliminate duplicates Z: 12 9.900 2.050 0.288 0.507 0.818 0.545 CA 1.373 12 residues pruned to eliminate duplicates Z: 45 22.351 2.050 0.309 0.382 0.909 0.568 CA 1.566 45 residues pruned to eliminate duplicates Z: 15 10.725 2.153 0.419 0.383 0.786 0.500 CA 1.351 15 residues pruned to eliminate duplicates Z: 71 35.375 2.177 0.534 0.476 0.829 0.343 CB 1.565 71 residues pruned to eliminate duplicates Z: 15 10.060 2.100 0.314 0.356 0.857 0.357 CA 1.328 15 residues pruned to eliminate duplicates Z: 73 30.570 2.090 0.369 0.418 0.861 0.556 CA 1.594 73 residues pruned to eliminate duplicates Z: 24 22.867 2.101 0.174 0.660 0.957 0.696 CA 1.743 24 residues pruned to eliminate duplicates Z: 43 26.284 2.194 0.233 0.477 0.905 0.619 CA 1.695 43 residues pruned to eliminate duplicates Z: 24 21.270 2.101 0.229 0.633 0.870 0.696 CB 1.744 24 residues pruned to eliminate duplicates Z: 35 25.177 2.123 0.335 0.522 0.882 0.647 CA 1.690 35 residues pruned to eliminate duplicates Z: 47 24.271 2.050 0.371 0.573 0.783 0.609 CA 1.517 47 residues pruned to eliminate duplicates Z: 19 23.505 2.217 0.194 0.740 0.944 0.889 CB 1.787 19 residues pruned to eliminate duplicates Z: 25 22.452 2.122 0.262 0.742 0.875 0.750 CA 1.574 25 residues pruned to eliminate duplicates Z: 31 24.968 2.062 0.484 0.690 0.833 0.700 CB 1.503 31 residues pruned to eliminate duplicates Z: 71 30.716 2.028 0.349 0.516 0.871 0.529 CB 1.516 71 residues pruned to eliminate duplicates Z: 12 14.145 2.276 0.020 0.698 0.909 0.818 CB 1.687 12 residues pruned to eliminate duplicates Z: 28 24.473 2.095 0.359 0.615 0.889 0.667 CB 1.669 28 residues pruned to eliminate duplicates Z: 31 25.968 2.095 0.430 0.694 0.867 0.633 CB 1.531 31 residues pruned to eliminate duplicates Z: 25 26.005 2.178 0.292 0.713 0.917 0.667 CB 1.695 25 residues pruned to eliminate duplicates Z: 27 28.138 2.132 0.505 0.736 0.808 0.462 CA 1.722 27 residues pruned to eliminate duplicates Z: 31 27.651 2.069 0.508 0.720 0.800 0.533 CB 1.658 31 residues pruned to eliminate duplicates Z: 28 31.978 2.119 0.540 0.740 0.963 0.667 CB 1.580 28 residues pruned to eliminate duplicates Z: 32 27.976 2.057 0.490 0.645 0.903 0.677 CB 1.584 32 residues pruned to eliminate duplicates Z: 30 29.784 2.130 0.546 0.672 0.862 0.517 CB 1.663 30 residues pruned to eliminate duplicates Z: 35 25.853 2.071 0.473 0.613 0.824 0.559 CB 1.585 35 residues pruned to eliminate duplicates Z: 23 31.340 2.184 0.621 0.764 0.909 0.545 CB 1.643 23 residues pruned to eliminate duplicates Z: 43 30.810 2.052 0.445 0.618 0.881 0.381 CB 1.628 43 residues pruned to eliminate duplicates Z: 34 23.795 1.995 0.533 0.659 0.758 0.455 CB 1.543 34 residues pruned to eliminate duplicates Z: 32 30.335 2.080 0.533 0.713 0.871 0.419 CB 1.617 32 residues pruned to eliminate duplicates Z: 41 27.834 1.986 0.574 0.592 0.850 0.425 CB 1.516 41 residues pruned to eliminate duplicates Z: 38 27.179 1.992 0.507 0.625 0.838 0.378 CB 1.579 38 residues pruned to eliminate duplicates Z: 36 27.848 2.031 0.607 0.622 0.857 0.314 CB 1.499 36 residues pruned to eliminate duplicates Z: 35 27.501 2.048 0.578 0.645 0.853 0.441 CB 1.494 35 residues pruned to eliminate duplicates Z: 32 26.735 2.025 0.615 0.652 0.903 0.452 CB 1.410 32 residues pruned to eliminate duplicates Z: 46 29.748 2.059 0.556 0.578 0.822 0.378 CB 1.561 46 residues pruned to eliminate duplicates Z: 12 7.245 1.921 0.499 0.332 0.636 0.182 CA 1.433 12 residues pruned to eliminate duplicates Z: 37 23.894 1.986 0.473 0.624 0.778 0.361 CB 1.557 37 residues pruned to eliminate duplicates Z: 17 11.803 1.862 0.683 0.491 0.750 0.375 CB 1.267 17 residues pruned to eliminate duplicates Z: 39 23.685 1.977 0.510 0.572 0.816 0.289 CB 1.472 39 residues pruned to eliminate duplicates Z: 38 22.928 1.975 0.548 0.544 0.784 0.351 CB 1.508 38 residues pruned to eliminate duplicates Z: 50 27.715 2.058 0.450 0.578 0.776 0.347 CB 1.587 50 residues pruned to eliminate duplicates Z: 63 26.643 1.939 0.573 0.491 0.806 0.452 CB 1.388 63 residues pruned to eliminate duplicates Z: 50 29.767 2.068 0.534 0.566 0.857 0.408 CB 1.466 50 residues pruned to eliminate duplicates Z: 21 11.719 1.973 0.407 0.436 0.850 0.350 CB 1.186 21 residues pruned to eliminate duplicates Z: 22 9.498 1.919 0.439 0.425 0.714 0.429 CB 1.136 22 residues pruned to eliminate duplicates Z: 26 14.642 1.911 0.403 0.424 0.880 0.480 CB 1.344 26 residues pruned to eliminate duplicates Z: 19 10.280 2.044 0.252 0.449 0.833 0.556 CB 1.198 19 residues pruned to eliminate duplicates Z: 23 14.618 1.999 0.373 0.341 0.909 0.591 CB 1.484 20 residues pruned to eliminate duplicates Z: 8 4.577 1.625 0.286 0.532 0.857 0.714 CB 0.936 8 residues pruned to eliminate duplicates Z: 27 13.718 2.005 0.251 0.425 0.846 0.462 CB 1.370 27 residues pruned to eliminate duplicates Z: 26 14.877 1.987 0.394 0.393 0.880 0.280 CB 1.367 26 residues pruned to eliminate duplicates Z: 53 28.448 2.041 0.507 0.521 0.885 0.404 CB 1.421 53 residues pruned to eliminate duplicates Z: 15 13.673 2.116 0.345 0.466 1.000 0.500 CB 1.330 15 residues pruned to eliminate duplicates Z: 24 12.753 2.007 0.372 0.419 0.826 0.261 CB 1.272 24 residues pruned to eliminate duplicates Z: 18 13.553 2.057 0.263 0.503 0.941 0.588 CB 1.339 18 residues pruned to eliminate duplicates Z: 38 13.849 1.948 0.414 0.427 0.730 0.378 CB 1.222 38 residues pruned to eliminate duplicates Z: 14 15.730 2.147 0.315 0.548 1.000 0.692 CB 1.474 14 residues pruned to eliminate duplicates Z: 13 8.664 1.865 0.348 0.416 0.833 0.417 CB 1.303 13 residues pruned to eliminate duplicates Z: 11 9.521 1.858 0.426 0.438 1.000 0.400 CB 1.212 11 residues pruned to eliminate duplicates Z: 19 12.014 2.008 0.259 0.490 0.833 0.611 CB 1.357 19 residues pruned to eliminate duplicates Z: 24 11.851 1.887 0.291 0.439 0.870 0.565 CB 1.243 24 residues pruned to eliminate duplicates Z: 25 11.680 1.914 0.245 0.370 0.833 0.375 CB 1.380 25 residues pruned to eliminate duplicates Z: 9 5.142 1.843 0.390 0.156 0.750 0.125 CB 1.443 8 residues pruned to eliminate duplicates Z: 11 6.597 1.782 0.244 0.236 0.900 0.300 CB 1.421 11 residues pruned to eliminate duplicates Z: 9 4.752 1.864 0.214 0.158 0.750 0.250 CA 1.503 9 residues pruned to eliminate duplicates Z: 13 4.600 1.701 0.370 0.164 0.667 0.250 CA 1.288 12 residues pruned to eliminate duplicates Z: 7 6.671 1.946 0.333 0.361 0.833 0.667 N 1.463 7 residues pruned to eliminate duplicates Z: 34 17.721 2.028 0.408 0.350 0.879 0.545 CA 1.446 42 residues pruned to eliminate duplicates Z: 6 3.390 1.769 0.550 0.325 0.800 0.400 CB 0.837 6 residues pruned to eliminate duplicates Z: 13 14.656 2.142 0.595 0.463 0.917 0.500 CA 1.404 13 residues pruned to eliminate duplicates Z: 20 13.681 2.017 0.508 0.422 0.789 0.526 CA 1.418 20 residues pruned to eliminate duplicates Z: 12 11.890 2.169 0.668 0.395 0.818 0.455 CA 1.353 12 residues pruned to eliminate duplicates Z: 13 14.249 2.178 0.664 0.476 0.750 0.667 CA 1.550 13 residues pruned to eliminate duplicates Z: 42 22.374 1.959 0.631 0.406 0.854 0.659 CB 1.414 32 residues pruned to eliminate duplicates Z: 6 5.360 1.851 0.335 0.386 0.800 0.400 CA 1.369 6 residues pruned to eliminate duplicates Z: 31 12.989 1.826 0.465 0.345 0.833 0.533 CB 1.258 31 residues pruned to eliminate duplicates Z: 28 15.537 1.867 0.437 0.439 0.926 0.444 CB 1.282 28 residues pruned to eliminate duplicates Z: 25 19.417 2.024 0.400 0.517 0.958 0.667 CB 1.435 25 residues pruned to eliminate duplicates Z: 33 24.351 1.990 0.399 0.618 0.938 0.688 CB 1.476 33 residues pruned to eliminate duplicates Z: 31 29.809 2.027 0.676 0.670 0.900 0.600 CB 1.522 31 residues pruned to eliminate duplicates Z: 32 29.036 2.062 0.650 0.667 0.871 0.645 CB 1.508 32 residues pruned to eliminate duplicates Z: 26 32.774 2.011 0.564 0.792 1.000 0.520 CB 1.614 26 residues pruned to eliminate duplicates Z: 43 29.767 1.947 0.577 0.620 0.952 0.524 CB 1.403 43 residues pruned to eliminate duplicates Z: 25 28.148 1.889 0.879 0.751 0.958 0.458 CB 1.350 25 residues pruned to eliminate duplicates Z: 21 28.598 2.043 0.747 0.867 0.900 0.450 CB 1.457 21 residues pruned to eliminate duplicates Z: 30 25.667 1.984 0.607 0.654 0.862 0.586 CB 1.503 30 residues pruned to eliminate duplicates Z: 19 28.276 2.074 0.686 0.760 1.000 0.722 CB 1.513 19 residues pruned to eliminate duplicates Z: 21 34.207 2.059 0.968 0.888 0.950 0.650 CB 1.431 21 residues pruned to eliminate duplicates Z: 23 32.047 2.046 0.978 0.797 0.864 0.636 CB 1.507 23 residues pruned to eliminate duplicates Z: 25 38.009 2.066 0.838 0.799 0.958 0.667 CB 1.641 25 residues pruned to eliminate duplicates Z: 22 34.407 2.066 0.909 0.869 0.952 0.571 CB 1.460 22 residues pruned to eliminate duplicates Z: 22 36.700 2.085 1.004 0.832 0.952 0.619 CB 1.510 22 residues pruned to eliminate duplicates Z: 22 26.107 2.035 0.888 0.822 0.810 0.429 CB 1.386 22 residues pruned to eliminate duplicates Z: 24 19.896 1.967 0.625 0.744 0.783 0.522 CB 1.333 24 residues pruned to eliminate duplicates Z: 44 36.906 2.069 0.758 0.606 0.884 0.442 CA 1.584 44 residues pruned to eliminate duplicates Z: 21 26.725 1.913 0.898 0.657 0.900 0.450 CB 1.580 29 residues pruned to eliminate duplicates Z: 13 20.870 1.915 0.703 0.884 0.917 0.417 CB 1.456 13 residues pruned to eliminate duplicates Z: 25 38.719 2.056 0.862 0.831 1.000 0.417 CB 1.551 25 residues pruned to eliminate duplicates Z: 35 32.063 1.963 0.867 0.691 0.853 0.441 CB 1.477 31 residues pruned to eliminate duplicates Z: 26 40.264 2.008 0.862 0.816 1.000 0.520 CB 1.637 26 residues pruned to eliminate duplicates Z: 10 8.249 1.775 0.691 0.387 0.778 0.222 CB 1.328 10 residues pruned to eliminate duplicates Z: 43 30.956 1.994 0.700 0.622 0.857 0.381 CB 1.465 43 residues pruned to eliminate duplicates Z: 11 11.842 1.822 0.622 0.387 0.900 0.200 O 1.587 11 residues pruned to eliminate duplicates Z: 8 4.187 1.825 0.381 0.285 0.714 0.143 CB 1.120 8 residues pruned to eliminate duplicates Z: 7 5.889 1.824 0.765 0.344 0.667 0.167 CA 1.327 7 residues pruned to eliminate duplicates Z: 10 5.716 1.679 0.681 0.401 0.667 0.333 CB 1.124 9 residues pruned to eliminate duplicates Z: 7 3.101 1.707 0.420 0.748 0.667 0.500 CB 0.628 Z: 16 5.728 1.912 0.330 0.449 0.667 0.333 CB 0.919 18 residues pruned to eliminate duplicates Z: 18 6.215 1.898 0.299 0.393 0.706 0.471 CB 0.970 17 residues pruned to eliminate duplicates Z: 9 4.428 1.913 0.499 0.377 0.625 0.250 CA 0.996 9 residues pruned to eliminate duplicates Z: 7 3.307 1.884 0.396 0.609 0.500 0.333 CA 0.926 7 residues pruned to eliminate duplicates Z: 14 4.346 1.873 0.380 0.436 0.692 0.385 CB 0.720 14 residues pruned to eliminate duplicates Z: 8 3.825 2.042 0.373 0.266 0.571 0.286 CB 1.178 8 residues pruned to eliminate duplicates Z: 21 10.923 1.891 0.517 0.334 0.850 0.400 CB 1.201 29 residues pruned to eliminate duplicates Z: 8 7.778 1.765 0.893 0.548 0.857 0.714 CA 0.980 8 residues pruned to eliminate duplicates Z: 9 5.875 1.975 0.188 0.389 0.750 0.375 CB 1.329 9 residues pruned to eliminate duplicates Z: 20 7.585 1.883 0.208 0.281 0.789 0.263 CB 1.241 20 residues pruned to eliminate duplicates Z: 14 7.448 2.035 0.109 0.373 0.769 0.385 CB 1.363 14 residues pruned to eliminate duplicates Z: 13 7.964 2.047 0.449 0.341 0.750 0.417 CB 1.230 13 residues pruned to eliminate duplicates Z: 20 9.472 1.915 0.416 0.284 0.737 0.368 CB 1.387 20 residues pruned to eliminate duplicates Z: 15 7.229 1.950 0.251 0.377 0.643 0.429 CA 1.406 15 residues pruned to eliminate duplicates Z: 14 12.683 2.101 0.421 0.363 0.846 0.462 CB 1.613 14 residues pruned to eliminate duplicates Z: 24 9.967 1.870 0.429 0.225 0.783 0.304 CB 1.371 24 residues pruned to eliminate duplicates Z: 18 11.367 2.070 0.322 0.301 0.824 0.353 CB 1.528 22 residues pruned to eliminate duplicates Z: 7 4.744 1.600 0.518 0.278 0.833 0.000 O 1.231 7 residues pruned to eliminate duplicates Z: 6 4.562 1.830 0.576 0.323 0.600 0.000 CB 1.433 6 residues pruned to eliminate duplicates Z: 20 10.568 1.900 0.390 0.343 0.842 0.316 CB 1.293 20 residues pruned to eliminate duplicates Z: 11 10.716 1.996 0.277 0.535 0.800 0.400 CA 1.606 11 residues pruned to eliminate duplicates Z: 12 9.902 1.707 0.343 0.540 0.909 0.364 N 1.378 11 residues pruned to eliminate duplicates Z: 10 9.965 1.876 0.422 0.618 0.889 0.444 CA 1.253 10 residues pruned to eliminate duplicates Z: 11 10.342 1.956 0.180 0.442 0.900 0.300 CB 1.672 11 residues pruned to eliminate duplicates Z: 24 20.580 2.057 0.507 0.525 0.870 0.522 CA 1.553 26 residues pruned to eliminate duplicates Z: 8 10.455 1.965 0.235 0.627 1.000 0.571 N 1.445 8 residues pruned to eliminate duplicates Z: 13 11.211 1.936 0.162 0.382 0.917 0.417 CA 1.780 13 residues pruned to eliminate duplicates Z: 9 9.490 1.898 0.276 0.509 0.875 0.500 CA 1.569 9 residues pruned to eliminate duplicates Z: 24 22.291 2.042 0.406 0.565 0.913 0.609 CA 1.665 23 residues pruned to eliminate duplicates Z: 8 4.455 1.778 0.267 0.456 0.571 0.143 CA 1.369 8 residues pruned to eliminate duplicates Z: 24 18.229 1.989 0.338 0.541 0.870 0.391 CA 1.578 24 residues pruned to eliminate duplicates Z: 26 18.871 1.986 0.366 0.487 0.840 0.360 CA 1.679 26 residues pruned to eliminate duplicates Z: 13 19.289 2.074 0.540 0.624 0.917 0.167 CB 1.692 13 residues pruned to eliminate duplicates Z: 25 21.131 2.001 0.494 0.547 0.875 0.375 CB 1.575 25 residues pruned to eliminate duplicates Z: 25 18.534 1.995 0.423 0.509 0.833 0.375 CB 1.584 25 residues pruned to eliminate duplicates Z: 17 23.076 2.126 0.665 0.586 0.875 0.375 N 1.715 17 residues pruned to eliminate duplicates Z: 14 17.820 2.040 0.595 0.627 0.923 0.231 CB 1.460 14 residues pruned to eliminate duplicates Z: 12 19.826 2.078 0.586 0.684 0.909 0.273 CA 1.685 12 residues pruned to eliminate duplicates Z: 24 16.900 1.976 0.468 0.554 0.696 0.348 CA 1.656 24 residues pruned to eliminate duplicates Z: 24 24.238 2.032 0.545 0.575 0.870 0.348 CB 1.723 24 residues pruned to eliminate duplicates Z: 13 8.420 2.002 0.433 0.337 0.750 0.583 CB 1.351 13 residues pruned to eliminate duplicates Z: 12 11.653 2.122 0.647 0.450 0.818 0.636 CB 1.293 12 residues pruned to eliminate duplicates Z: 19 12.211 2.036 0.514 0.391 0.833 0.500 CB 1.257 19 residues pruned to eliminate duplicates Z: 20 11.831 2.110 0.409 0.393 0.737 0.368 CB 1.387 20 residues pruned to eliminate duplicates Z: 16 9.819 1.828 0.703 0.377 0.800 0.533 CB 1.160 16 residues pruned to eliminate duplicates Z: 19 9.873 2.131 0.248 0.364 0.722 0.333 CB 1.403 19 residues pruned to eliminate duplicates Z: 12 10.519 2.070 0.439 0.479 0.818 0.636 CB 1.329 12 residues pruned to eliminate duplicates Z: 17 11.212 2.143 0.309 0.398 0.750 0.500 CA 1.483 17 residues pruned to eliminate duplicates Z: 14 10.484 2.032 0.537 0.404 0.769 0.538 CB 1.339 12 residues pruned to eliminate duplicates Z: 6 3.546 1.906 0.416 0.156 0.600 0.400 CA 1.491 6 residues pruned to eliminate duplicates Z: 18 9.613 2.088 0.438 0.366 0.706 0.412 CB 1.270 18 residues pruned to eliminate duplicates Z: 19 10.556 1.988 0.412 0.364 0.833 0.389 CB 1.231 20 residues pruned to eliminate duplicates Z: 6 4.992 1.704 0.708 0.395 0.800 0.400 CA 1.071 6 residues pruned to eliminate duplicates Z: 12 8.593 2.115 0.257 0.333 0.727 0.364 CA 1.609 12 residues pruned to eliminate duplicates Z: 18 9.394 1.917 0.162 0.267 0.882 0.353 CA 1.511 18 residues pruned to eliminate duplicates Z: 15 6.868 1.918 0.147 0.306 0.857 0.286 CA 1.208 15 residues pruned to eliminate duplicates Z: 14 10.785 1.999 0.285 0.326 1.000 0.462 CA 1.410 14 residues pruned to eliminate duplicates Z: 11 8.820 1.860 0.435 0.300 0.900 0.200 C 1.451 11 residues pruned to eliminate duplicates Z: 11 9.714 2.092 0.118 0.351 1.000 0.300 CA 1.542 11 residues pruned to eliminate duplicates Z: 17 10.881 1.950 0.326 0.246 0.938 0.375 CA 1.505 17 residues pruned to eliminate duplicates Z: 20 7.867 1.866 0.159 0.256 0.789 0.421 CA 1.397 20 residues pruned to eliminate duplicates Z: 12 4.724 1.839 0.030 0.229 0.727 0.182 CB 1.419 12 residues pruned to eliminate duplicates 565 residues left after pruning, divided into chains as follows: A: 7 B: 18 C: 12 D: 7 E: 14 F: 10 G: 8 H: 40 I: 7 J: 46 K: 7 L: 29 M: 87 N: 13 O: 136 P: 63 Q: 9 R: 18 S: 23 T: 11 CC for partial structure against native data = 20.57 % ------------------------------------------------------------------------------ Global autotracing cycle 29 = 0.300, Contrast = 0.413, Connect. = 0.682 for dens.mod. cycle 1 = 0.300, Contrast = 0.473, Connect. = 0.703 for dens.mod. cycle 2 = 0.300, Contrast = 0.547, Connect. = 0.738 for dens.mod. cycle 3 = 0.300, Contrast = 0.553, Connect. = 0.742 for dens.mod. cycle 4 = 0.300, Contrast = 0.560, Connect. = 0.746 for dens.mod. cycle 5 = 0.300, Contrast = 0.564, Connect. = 0.750 for dens.mod. cycle 6 = 0.300, Contrast = 0.568, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.570, Connect. = 0.755 for dens.mod. cycle 8 = 0.300, Contrast = 0.572, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.572, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6870 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1212 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 8 13.923 2.156 0.506 0.870 0.857 0.571 CA 1.380 B: 22 40.858 2.216 0.703 0.935 1.000 0.952 CA 1.647 C: 21 39.456 2.310 0.707 0.910 1.000 0.850 CA 1.587 22 residues pruned to eliminate duplicates D: 22 33.319 2.164 0.568 0.909 1.000 0.762 CA 1.520 22 residues pruned to eliminate duplicates E: 22 34.551 2.201 0.547 0.888 0.952 0.810 CB 1.676 22 residues pruned to eliminate duplicates F: 21 22.170 2.031 0.197 0.880 0.950 0.800 CA 1.556 G: 15 21.149 2.147 0.459 0.914 0.929 0.929 CB 1.375 15 residues pruned to eliminate duplicates H: 11 23.302 2.067 0.837 0.924 0.900 0.700 CB 1.514 I: 25 17.780 2.005 0.412 0.368 0.917 0.458 N 1.611 J: 11 18.915 2.017 0.446 0.916 0.900 0.600 CA 1.610 8 residues pruned to eliminate duplicates K: 11 22.166 2.227 0.434 0.890 1.000 0.900 CB 1.579 11 residues pruned to eliminate duplicates L: 11 25.894 2.179 1.063 0.833 0.900 0.700 CA 1.518 10 residues pruned to eliminate duplicates M: 10 15.665 1.993 0.363 0.910 0.889 0.667 CA 1.533 10 residues pruned to eliminate duplicates N: 18 17.476 1.988 0.182 0.868 0.941 0.765 CB 1.401 18 residues pruned to eliminate duplicates O: 19 23.570 2.050 0.547 0.846 0.944 0.722 CB 1.378 21 residues pruned to eliminate duplicates P: 11 22.243 2.009 0.473 0.915 1.000 0.700 CB 1.680 11 residues pruned to eliminate duplicates Q: 11 17.191 1.987 0.402 0.904 0.900 0.500 CA 1.545 11 residues pruned to eliminate duplicates R: 9 13.818 2.250 0.228 0.800 1.000 1.000 CA 1.361 S: 48 24.828 2.151 0.204 0.543 0.830 0.638 CA 1.616 28 residues pruned to eliminate duplicates T: 11 18.155 2.052 0.809 0.798 0.800 0.700 CB 1.489 11 residues pruned to eliminate duplicates U: 21 46.479 2.337 0.804 0.914 1.000 0.750 CA 1.743 21 residues pruned to eliminate duplicates V: 20 22.012 2.080 0.504 0.893 0.947 0.684 CA 1.224 W: 11 17.979 2.180 0.643 0.814 0.800 0.300 CB 1.511 11 residues pruned to eliminate duplicates X: 18 44.877 2.323 0.934 0.885 1.000 0.765 CA 1.749 18 residues pruned to eliminate duplicates Y: 19 22.913 2.113 0.361 0.883 0.889 0.833 CB 1.527 19 residues pruned to eliminate duplicates Z: 28 14.809 1.977 0.483 0.374 0.815 0.556 CA 1.364 Z: 20 40.904 2.277 0.840 0.885 0.947 0.737 CB 1.707 20 residues pruned to eliminate duplicates Z: 17 30.761 2.064 1.027 0.875 0.812 0.562 CB 1.645 Z: 8 9.583 1.820 0.581 0.544 1.000 0.571 CB 1.205 Z: 19 21.416 2.009 0.426 0.859 0.944 0.833 CB 1.373 19 residues pruned to eliminate duplicates Z: 15 12.607 2.096 0.321 0.525 0.857 0.571 CB 1.386 Z: 18 27.176 2.095 0.501 0.873 0.941 0.706 CB 1.622 13 residues pruned to eliminate duplicates Z: 19 12.204 2.068 0.509 0.297 0.778 0.333 CA 1.486 Z: 12 6.699 1.855 0.368 0.284 0.727 0.455 CB 1.397 Z: 20 44.243 2.292 0.856 0.915 0.947 0.474 CA 1.780 20 residues pruned to eliminate duplicates Z: 21 40.134 2.308 0.643 0.906 0.950 0.500 CA 1.771 21 residues pruned to eliminate duplicates Z: 9 9.238 1.981 0.291 0.541 0.875 0.625 CA 1.403 8 residues pruned to eliminate duplicates Z: 10 7.875 2.107 0.246 0.451 0.889 0.667 CB 1.183 13 residues pruned to eliminate duplicates Z: 9 9.691 1.937 0.360 0.531 0.875 0.625 CB 1.441 Z: 11 15.760 1.928 0.511 0.902 0.900 0.600 CA 1.356 11 residues pruned to eliminate duplicates Z: 22 34.692 2.039 0.705 0.904 1.000 0.714 CA 1.550 22 residues pruned to eliminate duplicates Z: 23 30.322 1.986 0.665 0.884 0.955 0.727 CA 1.481 23 residues pruned to eliminate duplicates Z: 15 6.559 1.586 0.250 0.426 0.929 0.714 CB 1.029 Z: 21 32.609 2.080 0.577 0.905 1.000 0.850 CB 1.582 20 residues pruned to eliminate duplicates Z: 11 11.489 1.800 0.324 0.766 0.900 0.800 CA 1.339 Z: 15 13.122 1.900 0.640 0.438 0.786 0.429 CB 1.527 14 residues pruned to eliminate duplicates Z: 21 25.551 2.051 0.558 0.901 1.000 0.800 CA 1.276 20 residues pruned to eliminate duplicates Z: 8 4.772 1.765 0.309 0.356 0.714 0.571 N 1.277 Z: 21 35.482 2.110 0.612 0.881 1.000 0.800 CA 1.690 21 residues pruned to eliminate duplicates Z: 27 20.009 2.204 0.501 0.363 0.885 0.500 CA 1.553 19 residues pruned to eliminate duplicates Z: 12 21.711 2.028 0.904 0.844 0.909 0.727 CB 1.388 11 residues pruned to eliminate duplicates Z: 11 25.793 1.979 1.152 0.812 1.000 0.700 CA 1.460 13 residues pruned to eliminate duplicates Z: 10 13.368 1.997 0.345 0.633 1.000 0.778 CA 1.464 Z: 20 20.608 1.982 0.339 0.823 0.895 0.789 CB 1.506 19 residues pruned to eliminate duplicates Z: 22 45.794 2.262 0.907 0.912 1.000 0.762 CA 1.640 22 residues pruned to eliminate duplicates Z: 10 20.122 2.055 0.438 0.912 1.000 0.556 CB 1.607 10 residues pruned to eliminate duplicates Z: 22 34.960 2.102 0.694 0.835 0.952 0.667 CA 1.686 22 residues pruned to eliminate duplicates Z: 12 10.962 2.159 0.205 0.710 0.727 0.636 CB 1.444 Z: 7 8.329 1.980 -0.102 0.616 1.000 0.667 CB 1.713 Z: 10 8.418 2.012 -0.010 0.561 0.889 0.778 CB 1.494 10 residues pruned to eliminate duplicates Z: 20 35.488 2.102 0.657 0.912 0.947 0.526 CA 1.747 21 residues pruned to eliminate duplicates Z: 8 5.203 1.685 0.300 0.448 0.857 0.714 CA 1.106 Z: 18 32.581 2.151 0.568 0.880 1.000 0.529 CB 1.697 18 residues pruned to eliminate duplicates Z: 18 14.297 2.037 0.708 0.334 0.765 0.588 CA 1.563 18 residues pruned to eliminate duplicates Z: 16 11.373 1.890 0.334 0.444 0.800 0.333 CB 1.542 16 residues pruned to eliminate duplicates Z: 41 36.803 2.121 0.628 0.681 0.975 0.525 CA 1.464 32 residues pruned to eliminate duplicates Z: 41 21.178 2.034 0.417 0.439 0.850 0.525 CA 1.455 20 residues pruned to eliminate duplicates Z: 9 11.733 2.217 0.270 0.619 1.000 0.500 CA 1.317 9 residues pruned to eliminate duplicates Z: 22 42.638 2.256 0.807 0.902 1.000 0.810 CA 1.628 22 residues pruned to eliminate duplicates Z: 10 19.739 1.932 0.627 0.871 1.000 0.778 CA 1.527 11 residues pruned to eliminate duplicates Z: 10 5.092 1.500 0.360 0.411 0.889 0.556 CB 1.027 Z: 10 5.058 1.976 0.148 0.319 0.667 0.333 CB 1.362 Z: 11 13.376 2.149 0.562 0.487 0.900 0.700 CB 1.419 Z: 15 27.456 2.166 0.862 0.808 0.857 0.500 CB 1.623 15 residues pruned to eliminate duplicates Z: 95 45.325 2.153 0.530 0.494 0.862 0.543 CB 1.657 84 residues pruned to eliminate duplicates Z: 12 15.762 2.015 0.551 0.808 0.909 0.545 CB 1.280 12 residues pruned to eliminate duplicates Z: 11 8.604 1.889 0.325 0.404 0.800 0.700 CB 1.503 8 residues pruned to eliminate duplicates Z: 22 17.497 1.948 0.665 0.376 0.905 0.524 CB 1.485 8 residues pruned to eliminate duplicates Z: 22 30.074 2.038 0.535 0.907 0.905 0.667 CA 1.648 22 residues pruned to eliminate duplicates Z: 21 20.365 2.035 0.262 0.850 1.000 0.750 CA 1.314 21 residues pruned to eliminate duplicates Z: 24 10.814 1.971 0.466 0.383 0.783 0.522 CB 1.129 16 residues pruned to eliminate duplicates Z: 16 15.588 2.007 0.567 0.423 0.867 0.600 CA 1.599 13 residues pruned to eliminate duplicates Z: 7 5.591 1.682 0.282 0.690 0.833 0.500 N 1.067 6 residues pruned to eliminate duplicates Z: 20 36.899 2.261 0.601 0.903 1.000 0.895 CB 1.667 20 residues pruned to eliminate duplicates Z: 21 40.984 2.257 0.766 0.886 0.950 0.500 CA 1.746 21 residues pruned to eliminate duplicates Z: 21 31.751 2.061 0.548 0.891 0.950 0.900 CA 1.684 21 residues pruned to eliminate duplicates Z: 21 46.023 2.294 0.903 0.880 0.950 0.700 CA 1.798 21 residues pruned to eliminate duplicates Z: 6 2.147 1.771 0.056 0.432 0.600 0.600 CB 0.918 Z: 7 5.691 1.738 0.312 0.524 0.833 0.333 CA 1.194 8 residues pruned to eliminate duplicates Z: 12 11.440 2.261 0.309 0.488 0.818 0.455 CA 1.441 12 residues pruned to eliminate duplicates Z: 11 14.608 2.071 0.166 0.824 1.000 0.700 CA 1.444 11 residues pruned to eliminate duplicates Z: 11 10.591 2.074 0.433 0.468 0.800 0.700 CB 1.455 11 residues pruned to eliminate duplicates Z: 15 18.562 1.846 0.711 0.786 0.786 0.357 N 1.554 15 residues pruned to eliminate duplicates Z: 21 13.061 1.933 0.369 0.504 0.800 0.500 CB 1.373 16 residues pruned to eliminate duplicates Z: 50 25.711 2.025 0.450 0.539 0.837 0.449 CB 1.438 41 residues pruned to eliminate duplicates Z: 25 19.276 2.037 0.406 0.515 0.875 0.542 CA 1.548 30 residues pruned to eliminate duplicates Z: 8 7.327 2.020 0.407 0.547 0.714 0.714 CB 1.303 8 residues pruned to eliminate duplicates Z: 17 13.588 2.101 0.430 0.285 0.938 0.438 CB 1.537 17 residues pruned to eliminate duplicates Z: 23 15.829 1.965 0.693 0.398 0.818 0.455 CA 1.381 19 residues pruned to eliminate duplicates Z: 21 31.045 2.047 0.536 0.863 1.000 0.600 CB 1.620 21 residues pruned to eliminate duplicates Z: 9 9.016 1.719 0.878 0.352 0.875 0.500 N 1.325 8 residues pruned to eliminate duplicates Z: 11 11.740 1.959 0.585 0.613 0.800 0.600 CB 1.342 11 residues pruned to eliminate duplicates Z: 21 25.686 1.987 0.653 0.906 0.950 0.450 CA 1.309 21 residues pruned to eliminate duplicates Z: 21 43.739 2.220 0.830 0.897 1.000 0.500 CA 1.723 21 residues pruned to eliminate duplicates Z: 8 8.242 1.705 0.506 0.560 0.857 0.714 CB 1.335 Z: 17 25.427 2.127 0.618 0.836 0.938 0.500 CB 1.475 17 residues pruned to eliminate duplicates Z: 10 17.993 2.035 0.657 0.785 1.000 0.556 CB 1.385 10 residues pruned to eliminate duplicates Z: 22 29.982 2.036 0.469 0.864 1.000 0.714 CA 1.603 22 residues pruned to eliminate duplicates Z: 26 13.947 2.043 0.318 0.363 0.840 0.520 CB 1.430 26 residues pruned to eliminate duplicates Z: 22 30.887 2.067 0.618 0.858 0.905 0.619 CA 1.640 22 residues pruned to eliminate duplicates Z: 18 14.398 2.008 0.770 0.309 0.882 0.529 CB 1.377 18 residues pruned to eliminate duplicates Z: 25 22.657 2.070 0.577 0.507 0.917 0.583 CA 1.534 23 residues pruned to eliminate duplicates Z: 11 15.698 1.836 0.617 0.770 0.900 0.500 CA 1.463 11 residues pruned to eliminate duplicates Z: 12 12.200 2.077 0.573 0.363 0.818 0.545 CA 1.595 12 residues pruned to eliminate duplicates Z: 15 7.531 1.837 0.335 0.348 0.786 0.571 CB 1.232 13 residues pruned to eliminate duplicates Z: 13 15.406 1.974 0.528 0.715 1.000 0.583 CB 1.214 13 residues pruned to eliminate duplicates Z: 8 5.158 1.550 0.474 0.404 0.857 0.714 CA 1.101 8 residues pruned to eliminate duplicates Z: 11 22.607 2.117 0.828 0.891 1.000 0.800 CB 1.328 11 residues pruned to eliminate duplicates Z: 14 10.352 2.096 0.228 0.404 0.846 0.615 CB 1.458 10 residues pruned to eliminate duplicates Z: 7 7.208 1.996 0.041 0.683 0.833 0.667 CB 1.437 7 residues pruned to eliminate duplicates Z: 21 35.275 2.105 0.605 0.911 1.000 0.600 CB 1.654 21 residues pruned to eliminate duplicates Z: 23 14.472 1.972 0.410 0.413 0.909 0.409 CA 1.337 Z: 18 12.462 1.952 0.280 0.409 0.941 0.588 CB 1.415 11 residues pruned to eliminate duplicates Z: 10 17.374 1.933 0.437 0.868 1.000 0.667 N 1.525 10 residues pruned to eliminate duplicates Z: 14 9.099 1.993 0.135 0.389 0.846 0.462 CB 1.483 14 residues pruned to eliminate duplicates Z: 16 14.163 2.012 0.360 0.845 0.867 0.600 CA 1.147 16 residues pruned to eliminate duplicates Z: 64 39.208 2.105 0.567 0.607 0.905 0.651 CA 1.496 64 residues pruned to eliminate duplicates Z: 13 9.585 1.783 0.341 0.418 1.000 0.500 CB 1.260 Z: 6 6.246 1.879 0.142 0.561 1.000 0.400 CB 1.227 Z: 61 32.885 2.054 0.501 0.559 0.867 0.467 CB 1.499 62 residues pruned to eliminate duplicates Z: 21 18.683 2.114 0.468 0.453 0.900 0.550 CA 1.569 21 residues pruned to eliminate duplicates Z: 18 14.026 2.024 0.550 0.343 0.882 0.294 CA 1.458 18 residues pruned to eliminate duplicates Z: 14 10.699 1.892 0.192 0.476 1.000 0.692 CA 1.348 10 residues pruned to eliminate duplicates Z: 12 10.695 2.019 0.278 0.429 0.909 0.364 CA 1.479 12 residues pruned to eliminate duplicates Z: 61 26.760 2.061 0.300 0.497 0.833 0.533 CB 1.551 61 residues pruned to eliminate duplicates Z: 16 27.044 2.169 0.705 0.877 0.867 0.400 CB 1.583 16 residues pruned to eliminate duplicates Z: 37 24.966 2.141 0.535 0.454 0.861 0.639 CB 1.540 37 residues pruned to eliminate duplicates Z: 19 33.372 2.266 0.657 0.897 0.889 0.667 CB 1.686 19 residues pruned to eliminate duplicates Z: 26 11.828 1.822 0.279 0.322 0.880 0.520 CB 1.404 26 residues pruned to eliminate duplicates Z: 10 3.576 1.490 0.390 0.278 0.778 0.333 CA 0.951 10 residues pruned to eliminate duplicates Z: 22 38.413 2.090 0.866 0.881 0.952 0.476 CA 1.634 23 residues pruned to eliminate duplicates Z: 10 12.227 2.104 0.267 0.865 1.000 0.556 CB 1.120 10 residues pruned to eliminate duplicates Z: 13 16.890 2.048 0.334 0.908 0.917 0.833 CA 1.382 13 residues pruned to eliminate duplicates Z: 21 19.399 1.947 0.441 0.835 0.950 0.750 CA 1.219 21 residues pruned to eliminate duplicates Z: 6 9.065 2.090 0.368 0.544 1.000 0.600 CB 1.358 Z: 10 9.488 1.948 0.272 0.474 1.000 0.778 CB 1.310 10 residues pruned to eliminate duplicates Z: 14 13.077 2.142 0.426 0.449 0.846 0.462 CB 1.478 14 residues pruned to eliminate duplicates Z: 15 8.683 1.914 0.015 0.428 1.000 0.786 CB 1.287 15 residues pruned to eliminate duplicates Z: 53 39.264 2.162 0.617 0.559 0.904 0.558 CA 1.628 53 residues pruned to eliminate duplicates Z: 9 3.993 1.664 0.049 0.321 0.750 0.625 N 1.313 6 residues pruned to eliminate duplicates Z: 18 9.724 1.923 0.577 0.347 0.706 0.412 CA 1.300 18 residues pruned to eliminate duplicates Z: 17 6.875 1.814 0.301 0.261 0.812 0.438 CA 1.178 17 residues pruned to eliminate duplicates Z: 7 4.923 1.889 -0.293 0.653 1.000 0.833 CB 1.305 Z: 9 11.719 2.135 0.508 0.421 1.000 0.625 CA 1.398 9 residues pruned to eliminate duplicates Z: 7 3.897 1.716 0.298 0.277 0.667 0.333 CA 1.380 Z: 14 8.134 1.991 0.183 0.290 0.846 0.231 CB 1.433 14 residues pruned to eliminate duplicates Z: 23 14.582 2.186 0.297 0.317 0.818 0.545 CA 1.640 23 residues pruned to eliminate duplicates Z: 20 15.823 1.957 0.648 0.429 0.895 0.632 CA 1.355 20 residues pruned to eliminate duplicates Z: 6 8.912 1.763 0.756 0.734 1.000 0.800 CB 1.044 Z: 6 2.262 1.481 -0.164 0.489 1.000 0.400 N 0.826 Z: 30 13.297 1.948 0.293 0.407 0.828 0.448 CB 1.307 30 residues pruned to eliminate duplicates Z: 41 17.172 1.921 0.249 0.370 0.900 0.525 CA 1.445 20 residues pruned to eliminate duplicates Z: 9 6.137 1.749 0.082 0.592 1.000 0.625 CB 1.050 6 residues pruned to eliminate duplicates Z: 19 17.809 1.976 0.723 0.748 0.778 0.278 CB 1.270 19 residues pruned to eliminate duplicates Z: 12 7.228 1.619 0.382 0.456 0.909 0.273 CB 1.121 12 residues pruned to eliminate duplicates Z: 44 48.063 2.250 0.733 0.673 0.930 0.628 CB 1.723 44 residues pruned to eliminate duplicates Z: 19 5.379 1.791 0.192 0.338 0.722 0.556 CB 0.981 19 residues pruned to eliminate duplicates Z: 28 19.087 2.184 0.517 0.313 0.889 0.519 CA 1.535 28 residues pruned to eliminate duplicates Z: 53 44.445 2.198 0.592 0.619 0.962 0.558 CB 1.637 53 residues pruned to eliminate duplicates Z: 12 10.399 1.905 0.225 0.835 0.818 0.727 CA 1.230 12 residues pruned to eliminate duplicates Z: 19 19.922 2.088 0.701 0.348 0.944 0.556 CB 1.651 19 residues pruned to eliminate duplicates Z: 18 25.345 2.084 0.673 0.901 0.882 0.412 CB 1.427 18 residues pruned to eliminate duplicates Z: 9 6.616 1.674 0.197 0.682 0.875 0.750 N 1.129 9 residues pruned to eliminate duplicates Z: 7 5.212 1.801 0.317 0.453 0.833 0.500 C 1.129 6 residues pruned to eliminate duplicates Z: 8 5.125 1.813 -0.058 0.615 0.714 0.714 CB 1.426 8 residues pruned to eliminate duplicates Z: 15 4.310 1.747 -0.055 0.263 0.857 0.571 CB 1.068 9 residues pruned to eliminate duplicates Z: 10 13.897 2.023 0.432 0.551 0.889 0.556 CA 1.712 10 residues pruned to eliminate duplicates Z: 22 44.581 2.204 0.992 0.880 0.952 0.429 CA 1.686 22 residues pruned to eliminate duplicates Z: 15 9.524 1.881 0.333 0.457 0.857 0.643 CA 1.237 15 residues pruned to eliminate duplicates Z: 28 38.109 2.263 0.760 0.665 0.963 0.630 CA 1.642 28 residues pruned to eliminate duplicates Z: 19 20.249 2.062 0.648 0.862 0.833 0.611 CB 1.238 19 residues pruned to eliminate duplicates Z: 7 12.730 2.066 0.657 0.649 0.833 0.667 CA 1.586 9 residues pruned to eliminate duplicates Z: 6 4.830 1.393 0.127 0.682 1.000 0.400 CA 1.164 6 residues pruned to eliminate duplicates Z: 65 39.646 2.134 0.482 0.622 0.938 0.547 CA 1.490 65 residues pruned to eliminate duplicates Z: 13 7.874 1.786 0.107 0.401 0.917 0.583 CB 1.392 13 residues pruned to eliminate duplicates Z: 20 15.222 1.977 0.490 0.374 0.842 0.474 N 1.610 20 residues pruned to eliminate duplicates Z: 18 23.108 2.113 0.573 0.847 0.882 0.529 CB 1.419 18 residues pruned to eliminate duplicates Z: 15 8.750 2.022 0.206 0.350 0.714 0.500 CB 1.580 15 residues pruned to eliminate duplicates Z: 6 3.723 1.853 0.071 0.579 1.000 0.800 CB 0.777 6 residues pruned to eliminate duplicates Z: 28 40.710 2.233 0.870 0.681 0.963 0.593 CA 1.650 28 residues pruned to eliminate duplicates Z: 32 28.257 1.899 0.702 0.682 0.903 0.516 CB 1.470 32 residues pruned to eliminate duplicates Z: 10 4.276 1.668 0.262 0.426 0.667 0.444 CB 1.097 10 residues pruned to eliminate duplicates Z: 22 29.404 2.081 0.385 0.863 1.000 0.810 CA 1.634 22 residues pruned to eliminate duplicates Z: 10 6.205 1.667 -0.061 0.668 1.000 0.333 CB 1.130 7 residues pruned to eliminate duplicates Z: 10 9.040 1.680 0.283 0.710 1.000 0.556 N 1.155 10 residues pruned to eliminate duplicates Z: 21 15.334 2.087 0.195 0.499 0.900 0.550 CB 1.529 21 residues pruned to eliminate duplicates Z: 26 19.613 2.105 0.512 0.384 0.920 0.520 CA 1.515 26 residues pruned to eliminate duplicates Z: 14 11.503 2.088 0.535 0.394 0.769 0.615 CB 1.447 14 residues pruned to eliminate duplicates Z: 21 16.565 2.228 0.423 0.376 0.950 0.550 CA 1.403 21 residues pruned to eliminate duplicates Z: 43 14.595 1.902 0.179 0.333 0.833 0.476 CA 1.446 43 residues pruned to eliminate duplicates Z: 15 17.487 1.987 0.625 0.851 1.000 0.357 CA 1.071 15 residues pruned to eliminate duplicates Z: 10 13.393 1.910 0.469 0.762 0.889 0.444 CA 1.418 10 residues pruned to eliminate duplicates Z: 6 5.459 1.910 -0.005 0.605 0.800 0.800 CB 1.453 6 residues pruned to eliminate duplicates Z: 18 11.108 2.007 0.182 0.320 0.882 0.588 CA 1.569 18 residues pruned to eliminate duplicates Z: 9 5.840 1.784 0.261 0.346 0.875 0.500 CA 1.240 8 residues pruned to eliminate duplicates Z: 9 3.792 1.841 0.275 0.382 0.500 0.375 CB 1.295 9 residues pruned to eliminate duplicates Z: 24 12.655 1.932 0.373 0.385 0.870 0.435 CB 1.293 27 residues pruned to eliminate duplicates Z: 6 7.014 1.860 0.639 0.464 0.800 0.800 CA 1.335 6 residues pruned to eliminate duplicates Z: 10 5.791 2.131 -0.092 0.488 0.667 0.556 CB 1.515 10 residues pruned to eliminate duplicates Z: 12 4.786 1.920 0.583 0.340 0.636 0.455 CB 0.888 Z: 25 12.311 1.926 0.304 0.304 0.833 0.458 CB 1.494 25 residues pruned to eliminate duplicates Z: 20 31.266 2.085 0.814 0.915 0.895 0.526 CB 1.498 20 residues pruned to eliminate duplicates Z: 16 35.316 2.292 0.685 0.914 0.933 0.733 CB 1.790 16 residues pruned to eliminate duplicates Z: 18 23.990 2.094 0.595 0.872 0.941 0.529 CB 1.349 18 residues pruned to eliminate duplicates Z: 19 16.912 1.956 0.458 0.872 0.889 0.833 CA 1.146 19 residues pruned to eliminate duplicates Z: 61 38.961 2.063 0.657 0.589 0.933 0.500 CA 1.447 61 residues pruned to eliminate duplicates Z: 6 6.861 1.748 0.474 0.591 0.800 0.600 O 1.365 Z: 18 7.594 1.852 0.273 0.399 0.706 0.353 CA 1.231 18 residues pruned to eliminate duplicates Z: 41 39.363 2.194 0.778 0.595 0.925 0.500 CA 1.575 41 residues pruned to eliminate duplicates Z: 11 8.393 1.965 0.240 0.331 0.900 0.700 CB 1.455 11 residues pruned to eliminate duplicates Z: 21 17.832 1.771 0.500 0.828 0.850 0.600 CB 1.330 21 residues pruned to eliminate duplicates Z: 6 2.166 1.476 0.287 0.298 0.800 0.400 CB 0.798 Z: 6 7.401 1.749 0.573 0.517 1.000 0.600 N 1.183 Z: 6 5.022 1.114 1.030 0.778 1.000 0.600 CB 0.777 6 residues pruned to eliminate duplicates Z: 11 12.237 1.782 0.863 0.693 0.900 0.500 CB 1.085 11 residues pruned to eliminate duplicates Z: 11 12.926 1.982 0.315 0.603 0.900 0.800 CB 1.580 Z: 23 14.433 1.860 0.600 0.469 0.818 0.364 CB 1.304 25 residues pruned to eliminate duplicates Z: 19 11.702 1.985 0.129 0.328 0.944 0.389 CA 1.574 19 residues pruned to eliminate duplicates Z: 38 17.608 1.908 0.182 0.389 0.973 0.541 CA 1.483 38 residues pruned to eliminate duplicates Z: 20 30.994 2.046 1.015 0.917 0.947 0.684 CA 1.285 20 residues pruned to eliminate duplicates Z: 13 5.926 1.832 0.015 0.336 0.833 0.667 CB 1.321 13 residues pruned to eliminate duplicates Z: 6 2.235 1.335 -0.023 0.676 0.800 0.800 CB 0.814 Z: 7 9.375 1.741 0.155 0.717 1.000 0.500 O 1.565 5 residues pruned to eliminate duplicates Z: 7 3.149 1.594 0.133 0.408 0.833 0.667 CB 0.940 Z: 12 9.386 1.858 0.057 0.462 1.000 0.364 CB 1.497 12 residues pruned to eliminate duplicates Z: 18 20.599 2.009 0.765 0.517 0.882 0.706 CA 1.570 18 residues pruned to eliminate duplicates Z: 7 6.027 1.804 0.385 0.636 1.000 0.833 CB 0.867 Z: 10 18.268 1.902 0.464 0.906 1.000 0.889 N 1.555 10 residues pruned to eliminate duplicates Z: 20 20.686 2.069 0.477 0.873 0.842 0.684 CB 1.344 20 residues pruned to eliminate duplicates Z: 6 2.635 1.242 0.640 0.477 0.600 0.600 O 0.987 Z: 6 5.736 1.850 0.397 0.736 1.000 0.800 N 0.803 Z: 25 23.193 2.114 0.691 0.554 0.917 0.708 CA 1.371 25 residues pruned to eliminate duplicates Z: 11 12.777 2.132 0.371 0.521 0.900 0.600 CB 1.503 11 residues pruned to eliminate duplicates Z: 6 3.088 1.455 0.042 0.299 1.000 0.800 CB 1.139 Z: 6 5.294 1.122 1.143 0.862 1.000 1.000 CB 0.723 Z: 23 18.230 1.944 0.208 0.643 0.955 0.773 CB 1.518 23 residues pruned to eliminate duplicates Z: 12 24.539 2.202 0.578 0.914 0.909 0.636 CB 1.656 12 residues pruned to eliminate duplicates Z: 6 2.996 1.613 0.098 0.592 0.600 0.600 CB 1.155 Z: 15 15.788 1.929 0.383 0.851 0.929 0.786 CA 1.261 15 residues pruned to eliminate duplicates Z: 38 17.138 2.047 0.398 0.395 0.757 0.595 CA 1.453 38 residues pruned to eliminate duplicates Z: 11 3.069 1.695 0.069 0.342 0.600 0.500 C 1.060 11 residues pruned to eliminate duplicates Z: 43 23.621 2.020 0.501 0.404 0.929 0.595 CA 1.433 43 residues pruned to eliminate duplicates Z: 10 9.859 2.018 0.424 0.477 0.778 0.556 CB 1.505 10 residues pruned to eliminate duplicates Z: 7 5.304 1.782 0.508 0.551 1.000 0.500 CB 0.766 6 residues pruned to eliminate duplicates Z: 7 8.506 1.855 0.491 0.528 1.000 0.833 CA 1.221 Z: 19 23.061 2.067 0.349 0.880 0.944 0.778 CB 1.496 19 residues pruned to eliminate duplicates Z: 8 8.032 1.833 0.579 0.565 0.857 0.714 CB 1.149 8 residues pruned to eliminate duplicates Z: 16 19.514 1.923 0.932 0.875 0.800 0.467 CA 1.232 16 residues pruned to eliminate duplicates Z: 41 28.092 2.061 0.549 0.575 0.950 0.575 CA 1.363 48 residues pruned to eliminate duplicates Z: 7 12.007 2.035 0.400 0.555 1.000 0.333 C 1.632 7 residues pruned to eliminate duplicates Z: 15 22.972 1.839 0.747 0.881 0.929 0.643 CA 1.491 15 residues pruned to eliminate duplicates Z: 10 12.740 1.913 0.447 0.721 0.889 0.333 CA 1.414 10 residues pruned to eliminate duplicates Z: 45 27.344 2.023 0.543 0.638 0.886 0.409 CA 1.309 45 residues pruned to eliminate duplicates Z: 14 7.452 1.684 0.226 0.417 0.923 0.692 CB 1.182 14 residues pruned to eliminate duplicates Z: 17 22.060 2.027 0.798 0.897 1.000 0.500 CA 1.083 17 residues pruned to eliminate duplicates Z: 10 10.784 1.971 0.534 0.625 0.778 0.556 CB 1.359 10 residues pruned to eliminate duplicates Z: 6 7.137 1.613 0.562 0.760 0.800 0.600 C 1.256 Z: 8 7.186 1.820 0.083 0.701 0.857 0.571 CB 1.339 7 residues pruned to eliminate duplicates Z: 30 36.376 2.157 0.780 0.627 0.966 0.655 CA 1.617 30 residues pruned to eliminate duplicates Z: 21 24.562 1.984 0.492 0.886 0.950 0.500 CB 1.409 21 residues pruned to eliminate duplicates Z: 22 41.243 2.201 0.902 0.897 0.905 0.667 CB 1.700 22 residues pruned to eliminate duplicates Z: 11 15.130 1.797 0.504 0.862 1.000 0.700 CA 1.299 11 residues pruned to eliminate duplicates Z: 13 14.332 1.984 0.325 0.883 0.917 0.750 CA 1.242 13 residues pruned to eliminate duplicates Z: 8 5.913 1.675 0.344 0.736 0.714 0.429 N 1.125 5 residues pruned to eliminate duplicates Z: 8 4.702 1.699 -0.092 0.491 1.000 0.714 CB 1.163 5 residues pruned to eliminate duplicates Z: 12 9.050 1.839 0.247 0.464 1.000 0.727 CA 1.234 12 residues pruned to eliminate duplicates Z: 57 31.530 2.068 0.553 0.575 0.893 0.500 CA 1.366 57 residues pruned to eliminate duplicates Z: 46 25.925 2.018 0.425 0.641 0.889 0.600 CA 1.325 46 residues pruned to eliminate duplicates Z: 13 13.309 1.994 0.561 0.467 0.917 0.583 CB 1.392 11 residues pruned to eliminate duplicates Z: 14 9.934 1.881 0.652 0.376 0.846 0.462 CB 1.196 10 residues pruned to eliminate duplicates Z: 13 10.664 2.003 0.280 0.405 0.833 0.417 CB 1.591 13 residues pruned to eliminate duplicates 9 1.900 1.582 0.149 0.346 0.750 0.375 CB 0.582 ? Z: 22 22.238 1.960 0.434 0.899 0.905 0.905 CA 1.363 22 residues pruned to eliminate duplicates Z: 23 28.733 2.000 0.461 0.885 1.000 0.773 CA 1.514 23 residues pruned to eliminate duplicates Z: 12 8.295 1.958 0.334 0.386 0.818 0.545 CB 1.320 12 residues pruned to eliminate duplicates Z: 14 9.119 2.032 0.116 0.459 0.769 0.462 CA 1.512 14 residues pruned to eliminate duplicates Z: 19 11.570 1.981 0.576 0.283 0.778 0.611 CA 1.435 19 residues pruned to eliminate duplicates Z: 13 5.925 1.727 0.236 0.447 0.750 0.583 CB 1.127 13 residues pruned to eliminate duplicates Z: 27 23.046 2.070 0.214 0.667 0.962 0.769 CA 1.604 27 residues pruned to eliminate duplicates Z: 21 7.934 1.928 0.356 0.346 0.650 0.450 CB 1.234 21 residues pruned to eliminate duplicates Z: 24 17.911 1.814 0.789 0.496 0.870 0.696 CA 1.328 24 residues pruned to eliminate duplicates Z: 16 10.453 1.904 0.259 0.459 0.933 0.667 CB 1.257 15 residues pruned to eliminate duplicates Z: 6 3.311 1.515 0.239 0.455 0.800 0.600 C 1.033 Z: 12 14.041 1.815 0.785 0.745 0.818 0.545 CB 1.283 12 residues pruned to eliminate duplicates Z: 11 4.872 1.831 0.067 0.459 0.800 0.500 CB 1.028 11 residues pruned to eliminate duplicates Z: 7 3.779 2.053 -0.031 0.310 0.667 0.333 CB 1.436 7 residues pruned to eliminate duplicates Z: 8 16.124 1.950 0.656 0.874 1.000 1.000 CA 1.373 8 residues pruned to eliminate duplicates Z: 11 3.543 1.537 0.447 0.232 0.600 0.300 CB 1.147 Z: 6 2.133 1.649 -0.004 0.343 0.800 0.800 CB 0.861 Z: 26 11.006 1.859 0.241 0.365 0.920 0.520 CA 1.198 26 residues pruned to eliminate duplicates Z: 8 12.258 1.793 0.615 0.722 1.000 0.571 CB 1.310 8 residues pruned to eliminate duplicates Z: 11 10.375 2.006 0.528 0.790 0.800 0.400 CB 1.037 11 residues pruned to eliminate duplicates Z: 16 9.545 1.928 0.029 0.364 0.933 0.400 CA 1.541 16 residues pruned to eliminate duplicates Z: 20 6.440 1.913 0.233 0.251 0.684 0.421 CB 1.219 20 residues pruned to eliminate duplicates Z: 7 5.195 1.653 0.082 0.605 1.000 0.833 CB 1.073 7 residues pruned to eliminate duplicates Z: 9 7.472 1.812 0.172 0.435 1.000 0.500 CA 1.329 Z: 37 25.587 1.991 0.488 0.607 0.889 0.417 CB 1.462 37 residues pruned to eliminate duplicates Z: 8 4.208 1.712 0.099 0.405 1.000 0.714 CB 0.934 Z: 16 7.811 1.876 0.271 0.355 0.733 0.467 CB 1.349 16 residues pruned to eliminate duplicates Z: 18 14.859 1.976 0.381 0.474 0.941 0.529 CA 1.442 27 residues pruned to eliminate duplicates Z: 13 15.367 2.004 0.344 0.558 1.000 0.750 CA 1.557 13 residues pruned to eliminate duplicates Z: 48 38.133 2.154 0.568 0.627 0.915 0.638 CA 1.597 48 residues pruned to eliminate duplicates Z: 11 11.541 1.944 0.188 0.554 0.900 0.600 CA 1.666 11 residues pruned to eliminate duplicates Z: 21 14.572 1.984 0.389 0.443 0.950 0.450 CB 1.319 21 residues pruned to eliminate duplicates Z: 19 14.546 1.962 0.627 0.357 0.889 0.722 CA 1.410 19 residues pruned to eliminate duplicates Z: 8 5.791 1.780 0.567 0.296 0.714 0.429 CA 1.379 8 residues pruned to eliminate duplicates Z: 6 2.795 1.558 0.472 0.350 0.600 0.400 C 1.069 Z: 6 3.108 1.624 0.429 0.337 0.600 0.600 CA 1.194 Z: 18 17.391 1.979 0.340 0.548 0.941 0.529 N 1.614 21 residues pruned to eliminate duplicates Z: 10 11.162 1.758 0.537 0.536 1.000 0.444 CA 1.330 16 residues pruned to eliminate duplicates Z: 12 7.430 1.778 0.537 0.333 0.818 0.727 CB 1.203 12 residues pruned to eliminate duplicates Z: 9 4.251 1.370 0.306 0.335 0.875 0.250 CA 1.150 Z: 41 18.331 1.899 0.176 0.427 0.975 0.525 CA 1.436 41 residues pruned to eliminate duplicates Z: 18 11.078 1.891 0.338 0.390 0.824 0.412 CA 1.449 18 residues pruned to eliminate duplicates Z: 6 2.010 1.464 0.157 0.292 0.600 0.600 N 1.116 7 1.979 1.979 -0.554 0.854 0.667 0.500 CB 1.014 ? Z: 10 8.768 1.913 0.217 0.603 0.889 0.667 CA 1.281 10 residues pruned to eliminate duplicates Z: 11 6.219 1.683 0.015 0.589 0.800 0.600 CB 1.321 8 residues pruned to eliminate duplicates Z: 8 6.885 1.705 0.184 0.718 0.857 0.714 CB 1.235 8 residues pruned to eliminate duplicates Z: 20 12.084 1.981 0.498 0.286 0.789 0.421 N 1.506 20 residues pruned to eliminate duplicates Z: 16 8.031 1.881 0.259 0.398 0.733 0.400 CB 1.331 16 residues pruned to eliminate duplicates Z: 13 12.710 1.931 0.279 0.863 0.917 0.750 CA 1.189 13 residues pruned to eliminate duplicates Z: 9 3.690 1.456 0.459 0.430 0.875 0.625 CB 0.755 Z: 6 2.274 1.726 -0.077 0.389 0.600 0.200 CA 1.197 Z: 11 5.825 1.606 0.351 0.407 1.000 0.400 CB 0.936 5 residues pruned to eliminate duplicates Z: 20 16.466 1.980 0.336 0.881 1.000 0.842 CA 1.034 20 residues pruned to eliminate duplicates Z: 47 29.722 2.065 0.376 0.600 0.870 0.478 CB 1.613 47 residues pruned to eliminate duplicates Z: 11 10.520 2.106 0.423 0.213 1.000 0.400 CA 1.557 11 residues pruned to eliminate duplicates Z: 7 2.931 1.549 -0.092 0.300 0.833 0.333 C 1.276 Z: 18 11.016 1.941 0.139 0.463 0.882 0.529 CB 1.422 18 residues pruned to eliminate duplicates Z: 11 8.923 1.908 0.319 0.491 0.900 0.900 CA 1.256 11 residues pruned to eliminate duplicates Z: 6 4.486 1.461 -0.018 0.685 1.000 0.800 N 1.180 6 1.993 1.485 0.226 0.438 0.600 0.600 CB 0.870 ? Z: 17 29.217 2.062 0.640 0.898 0.938 0.812 CA 1.648 17 residues pruned to eliminate duplicates Z: 20 13.785 1.978 0.164 0.562 1.000 0.526 CB 1.293 27 residues pruned to eliminate duplicates Z: 19 12.344 1.999 0.363 0.392 0.778 0.611 CB 1.539 19 residues pruned to eliminate duplicates 7 1.963 1.196 0.834 0.239 0.833 0.667 CB 0.593 ? Z: 6 3.613 1.458 0.668 0.391 0.800 0.800 CB 0.932 Z: 23 16.176 1.989 0.247 0.449 0.909 0.591 CB 1.611 23 residues pruned to eliminate duplicates Z: 83 37.401 2.050 0.537 0.521 0.890 0.573 CA 1.442 83 residues pruned to eliminate duplicates Z: 42 24.441 1.984 0.478 0.451 0.927 0.610 CB 1.476 42 residues pruned to eliminate duplicates Z: 32 15.552 1.906 0.525 0.337 0.839 0.516 CB 1.368 31 residues pruned to eliminate duplicates Z: 6 3.591 1.687 -0.111 0.587 1.000 0.600 CB 0.985 Z: 11 6.135 1.659 0.648 0.282 0.700 0.600 CB 1.297 11 residues pruned to eliminate duplicates Z: 8 12.109 2.065 0.574 0.683 0.857 0.857 CA 1.388 8 residues pruned to eliminate duplicates Z: 7 4.376 1.293 0.671 0.643 1.000 0.667 CB 0.724 7 residues pruned to eliminate duplicates Z: 21 55.610 2.282 1.178 0.931 1.000 0.400 CA 1.748 21 residues pruned to eliminate duplicates Z: 32 13.867 1.869 0.288 0.405 0.871 0.548 CB 1.313 32 residues pruned to eliminate duplicates Z: 8 9.304 1.731 0.750 0.432 1.000 0.429 CA 1.246 8 residues pruned to eliminate duplicates Z: 9 5.415 1.424 0.589 0.330 0.875 0.375 C 1.165 Z: 6 3.684 1.317 0.440 0.502 1.000 0.400 CA 0.867 Z: 41 35.394 2.079 0.563 0.633 0.925 0.575 CA 1.644 41 residues pruned to eliminate duplicates Z: 12 5.015 1.849 0.259 0.362 0.636 0.364 CB 1.184 12 residues pruned to eliminate duplicates Z: 14 7.577 1.770 0.565 0.355 0.846 0.692 CB 1.048 14 residues pruned to eliminate duplicates Z: 6 2.871 1.400 0.092 0.429 1.000 0.800 N 0.904 Z: 29 18.921 1.996 0.550 0.370 0.929 0.607 CA 1.430 30 residues pruned to eliminate duplicates 7 0.970 1.213 0.686 0.313 0.833 0.500 CB 0.286 ? Z: 8 7.509 1.756 0.540 0.499 0.857 0.571 CA 1.226 8 residues pruned to eliminate duplicates Z: 6 2.161 1.682 0.170 0.407 0.800 0.600 CA 0.677 Z: 7 4.552 1.787 0.286 0.516 0.667 0.333 CB 1.194 7 residues pruned to eliminate duplicates Z: 8 2.371 1.561 0.124 0.461 0.714 0.571 N 0.744 7 residues pruned to eliminate duplicates Z: 18 12.634 1.949 0.431 0.449 0.882 0.471 CB 1.312 18 residues pruned to eliminate duplicates Z: 10 3.494 1.738 0.026 0.280 0.889 0.222 CB 0.942 10 residues pruned to eliminate duplicates Z: 17 11.396 1.872 0.309 0.432 0.812 0.562 CB 1.536 17 residues pruned to eliminate duplicates Z: 12 5.758 1.887 0.141 0.340 0.909 0.455 CB 1.056 12 residues pruned to eliminate duplicates Z: 6 2.344 1.661 0.208 0.719 0.800 0.400 CB 0.536 5 residues pruned to eliminate duplicates Z: 19 12.306 1.989 0.140 0.587 0.944 0.611 CB 1.246 19 residues pruned to eliminate duplicates Z: 33 40.148 2.182 0.721 0.713 1.000 0.781 CB 1.559 33 residues pruned to eliminate duplicates Z: 38 27.092 2.064 0.356 0.587 0.892 0.568 CB 1.641 38 residues pruned to eliminate duplicates Z: 7 2.658 1.271 0.331 0.247 1.000 0.500 N 0.859 3 residues pruned to eliminate duplicates Z: 11 12.025 1.924 0.427 0.516 0.900 0.400 CA 1.514 11 residues pruned to eliminate duplicates Z: 6 5.892 1.663 0.145 0.520 1.000 0.800 O 1.356 6 residues pruned to eliminate duplicates Z: 11 16.052 1.739 0.615 0.770 1.000 0.500 CA 1.422 11 residues pruned to eliminate duplicates Z: 9 8.025 1.903 0.277 0.835 0.750 0.500 CB 1.166 9 residues pruned to eliminate duplicates Z: 7 8.817 1.639 0.363 0.679 1.000 0.667 C 1.366 Z: 9 12.448 1.935 0.361 0.630 1.000 0.625 CB 1.479 9 residues pruned to eliminate duplicates Z: 17 12.758 1.914 0.208 0.392 1.000 0.625 CA 1.547 17 residues pruned to eliminate duplicates Z: 32 37.455 2.222 0.726 0.667 0.903 0.484 CA 1.663 32 residues pruned to eliminate duplicates 8 1.311 1.130 0.241 0.480 0.571 0.429 O 0.631 ? Z: 9 3.781 1.493 0.253 0.398 0.750 0.625 CA 1.060 Z: 16 13.609 1.915 0.273 0.529 0.933 0.733 CB 1.500 16 residues pruned to eliminate duplicates Z: 13 7.598 1.803 0.238 0.455 0.833 0.417 CB 1.234 13 residues pruned to eliminate duplicates Z: 26 21.156 1.958 0.578 0.723 0.920 0.440 CA 1.217 26 residues pruned to eliminate duplicates Z: 21 12.585 1.917 0.598 0.442 0.850 0.450 CB 1.147 21 residues pruned to eliminate duplicates Z: 6 7.046 1.719 0.733 0.750 1.000 0.800 CB 0.846 6 residues pruned to eliminate duplicates Z: 13 20.983 2.012 0.711 0.822 1.000 0.500 CB 1.331 13 residues pruned to eliminate duplicates Z: 19 19.197 2.067 0.588 0.470 0.889 0.833 CA 1.599 19 residues pruned to eliminate duplicates 6 1.896 1.600 -0.243 0.476 0.600 0.600 O 1.194 ? Z: 10 4.485 1.596 0.163 0.286 0.889 0.444 CA 1.154 10 residues pruned to eliminate duplicates Z: 10 7.806 1.736 0.364 0.404 0.889 0.556 CB 1.368 18 residues pruned to eliminate duplicates Z: 13 8.583 2.008 0.220 0.271 0.833 0.333 CA 1.575 13 residues pruned to eliminate duplicates Z: 10 5.457 1.579 0.478 0.319 0.778 0.444 CB 1.224 10 residues pruned to eliminate duplicates 6 1.074 1.451 0.102 0.479 0.800 0.400 CB 0.383 ? Z: 15 7.892 1.800 0.221 0.417 0.786 0.714 CB 1.332 15 residues pruned to eliminate duplicates Z: 12 6.005 1.776 0.421 0.404 0.727 0.636 CB 1.091 12 residues pruned to eliminate duplicates Z: 10 4.669 1.670 0.330 0.372 0.778 0.556 CB 1.033 4 residues pruned to eliminate duplicates Z: 6 2.959 1.748 -0.057 0.339 0.600 0.600 O 1.595 6 residues pruned to eliminate duplicates Z: 8 2.292 1.318 -0.130 0.475 1.000 0.429 C 0.775 Z: 31 26.131 2.063 0.523 0.480 0.967 0.667 CA 1.603 31 residues pruned to eliminate duplicates Z: 20 9.306 1.838 0.173 0.355 0.842 0.368 CA 1.375 20 residues pruned to eliminate duplicates 6 1.709 1.246 0.317 0.296 0.600 0.400 C 0.975 ? 6 1.355 1.442 0.052 0.634 0.800 0.800 N 0.440 ? Z: 17 28.228 2.033 0.917 0.894 1.000 0.562 CB 1.299 17 residues pruned to eliminate duplicates Z: 18 8.630 1.603 0.273 0.385 0.882 0.353 CB 1.313 10 residues pruned to eliminate duplicates 7 1.591 1.333 0.550 0.307 0.667 0.333 CB 0.584 ? Z: 6 4.610 1.262 0.524 0.752 1.000 0.800 N 0.856 Z: 17 18.734 1.933 0.761 0.881 0.938 0.562 CA 1.063 17 residues pruned to eliminate duplicates Z: 11 11.290 1.949 0.415 0.495 1.000 0.700 CB 1.302 11 residues pruned to eliminate duplicates Z: 13 3.040 1.494 0.442 0.190 0.667 0.417 N 0.886 Z: 13 6.784 1.826 0.199 0.390 1.000 0.750 CB 1.006 13 residues pruned to eliminate duplicates Z: 7 2.268 1.478 0.484 0.286 0.667 0.333 CB 0.806 Z: 6 4.888 1.671 0.304 0.457 1.000 0.600 CB 1.048 6 residues pruned to eliminate duplicates Z: 53 25.211 1.927 0.504 0.490 0.904 0.596 CA 1.348 53 residues pruned to eliminate duplicates Z: 8 2.378 1.605 0.119 0.241 0.714 0.286 CB 0.946 3 residues pruned to eliminate duplicates Z: 9 2.673 1.212 0.304 0.347 0.875 0.375 N 0.807 Z: 16 9.470 1.763 0.392 0.443 0.933 0.400 CB 1.132 16 residues pruned to eliminate duplicates Z: 6 7.046 1.616 1.041 0.684 0.800 0.600 CB 1.008 6 residues pruned to eliminate duplicates Z: 12 3.518 1.625 0.256 0.377 0.636 0.455 CB 0.931 8 residues pruned to eliminate duplicates Z: 11 4.787 1.437 0.747 0.176 0.900 0.300 N 0.991 Z: 55 38.955 2.131 0.603 0.591 0.907 0.630 CA 1.567 55 residues pruned to eliminate duplicates Z: 6 5.410 1.721 -0.064 0.576 1.000 0.400 C 1.395 6 residues pruned to eliminate duplicates Z: 9 3.714 1.398 0.349 0.305 1.000 0.625 CB 0.865 7 residues pruned to eliminate duplicates Z: 7 9.750 2.012 0.427 0.532 1.000 0.333 CB 1.343 7 residues pruned to eliminate duplicates Z: 6 4.758 1.515 -0.038 0.696 1.000 1.000 CB 1.221 Z: 11 10.453 1.954 0.641 0.566 0.800 0.700 CB 1.209 11 residues pruned to eliminate duplicates Z: 12 12.854 1.943 0.240 0.532 0.909 0.818 CA 1.715 12 residues pruned to eliminate duplicates Z: 16 18.304 2.002 0.683 0.654 0.800 0.400 CB 1.520 16 residues pruned to eliminate duplicates Z: 40 19.596 2.070 0.494 0.410 0.821 0.487 CA 1.359 40 residues pruned to eliminate duplicates Z: 7 3.207 1.389 0.432 0.250 1.000 0.500 CA 0.878 Z: 9 4.117 1.334 0.545 0.365 0.750 0.500 C 1.089 Z: 15 8.393 1.732 0.451 0.292 0.929 0.500 CA 1.214 13 residues pruned to eliminate duplicates Z: 9 5.162 1.598 0.197 0.485 0.875 0.375 CB 1.107 Z: 19 13.852 2.027 0.421 0.450 0.833 0.500 CB 1.432 19 residues pruned to eliminate duplicates Z: 46 25.953 2.055 0.447 0.435 0.956 0.511 CB 1.456 46 residues pruned to eliminate duplicates Z: 6 3.940 1.625 -0.083 0.389 1.000 0.400 C 1.330 6 residues pruned to eliminate duplicates Z: 10 11.748 1.832 0.450 0.848 1.000 0.556 CA 1.094 10 residues pruned to eliminate duplicates Z: 14 10.379 1.855 0.303 0.560 0.923 0.692 CA 1.216 14 residues pruned to eliminate duplicates Z: 6 4.102 1.302 0.212 0.505 1.000 0.400 O 1.156 6 1.377 1.236 0.611 0.215 0.800 0.400 N 0.541 ? Z: 8 3.157 1.340 0.439 0.440 0.714 0.429 N 0.922 Z: 10 13.007 1.900 0.397 0.858 0.889 0.778 CA 1.353 10 residues pruned to eliminate duplicates Z: 13 9.403 1.918 0.328 0.316 0.917 0.833 CB 1.424 13 residues pruned to eliminate duplicates Z: 8 3.350 1.682 -0.123 0.424 0.714 0.429 O 1.301 8 residues pruned to eliminate duplicates Z: 18 19.456 1.931 0.837 0.812 0.941 0.529 CA 1.077 18 residues pruned to eliminate duplicates Z: 10 5.161 1.385 0.519 0.354 0.889 0.667 N 1.077 6 residues pruned to eliminate duplicates Z: 6 2.168 1.500 0.334 0.460 0.600 0.400 CA 0.841 Z: 7 2.647 1.486 0.539 0.361 0.667 0.500 N 0.824 Z: 6 5.436 1.568 0.524 0.783 1.000 0.600 CA 0.793 6 residues pruned to eliminate duplicates Z: 8 6.449 1.804 0.396 0.599 0.857 0.286 CB 1.028 6 0.837 1.443 -0.032 0.454 1.000 0.600 CB 0.281 ? Z: 36 23.305 2.137 0.536 0.385 0.886 0.457 CB 1.531 36 residues pruned to eliminate duplicates Z: 12 5.867 2.042 0.384 0.282 0.636 0.455 CB 1.258 12 residues pruned to eliminate duplicates Z: 6 2.249 1.561 0.005 0.384 0.600 0.200 CB 1.209 Z: 13 6.918 1.848 0.369 0.276 0.667 0.333 CB 1.525 13 residues pruned to eliminate duplicates Z: 6 2.505 1.278 0.249 0.553 0.800 0.600 CB 0.833 Z: 6 2.140 1.287 -0.155 0.606 0.800 0.400 CB 0.995 Z: 13 5.179 1.640 0.370 0.306 0.750 0.333 CB 1.101 13 residues pruned to eliminate duplicates Z: 6 2.425 1.372 0.472 0.501 0.600 0.600 CB 0.894 Z: 19 28.294 2.047 0.913 0.918 1.000 0.667 CA 1.201 19 residues pruned to eliminate duplicates 6 0.291 1.133 0.726 0.439 0.600 0.400 CB 0.118 ? Z: 6 2.329 1.466 0.243 0.296 0.800 0.600 N 0.898 Z: 7 5.482 1.463 0.206 0.580 1.000 0.833 CB 1.174 Z: 6 3.983 1.495 0.812 0.290 0.800 0.400 CA 1.040 Z: 10 5.025 1.608 0.297 0.454 0.889 0.444 N 0.947 8 residues pruned to eliminate duplicates Z: 6 4.067 1.594 0.241 0.460 1.000 0.800 CB 0.957 Z: 7 4.121 1.522 0.578 0.506 0.833 0.667 CB 0.835 Z: 8 3.370 1.563 0.177 0.361 0.714 0.429 CA 1.126 8 residues pruned to eliminate duplicates Z: 21 12.535 1.848 0.355 0.510 0.900 0.650 CB 1.231 21 residues pruned to eliminate duplicates Z: 7 3.059 1.593 0.266 0.381 0.667 0.333 CB 1.054 Z: 19 12.775 1.877 0.278 0.399 0.889 0.667 CA 1.570 19 residues pruned to eliminate duplicates Z: 6 4.612 1.188 0.533 0.775 1.000 0.800 C 0.888 Z: 14 9.395 1.914 0.537 0.744 0.692 0.462 CA 1.028 14 residues pruned to eliminate duplicates Z: 14 8.425 1.655 0.289 0.516 1.000 0.615 CB 1.078 14 residues pruned to eliminate duplicates Z: 12 7.469 1.930 0.097 0.360 0.909 0.727 CB 1.362 12 residues pruned to eliminate duplicates Z: 8 5.202 1.693 -0.106 0.715 0.857 0.571 N 1.248 8 residues pruned to eliminate duplicates Z: 6 3.000 1.201 0.461 0.299 1.000 0.400 CA 0.958 Z: 8 7.175 1.788 0.187 0.709 0.857 0.857 CA 1.234 8 residues pruned to eliminate duplicates Z: 6 3.107 1.355 0.163 0.406 1.000 0.200 O 0.973 Z: 15 10.226 1.999 0.250 0.386 0.857 0.500 CB 1.442 14 residues pruned to eliminate duplicates Z: 18 5.830 1.943 0.228 0.298 0.529 0.353 CB 1.403 18 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 6.053 1.759 0.408 0.371 1.000 0.400 CA 1.254 6 residues pruned to eliminate duplicates Z: 19 9.441 1.839 0.406 0.342 0.778 0.500 CA 1.315 19 residues pruned to eliminate duplicates Z: 24 8.521 1.846 0.121 0.277 0.826 0.391 CB 1.338 24 residues pruned to eliminate duplicates Z: 14 13.650 2.045 0.335 0.463 0.923 0.615 CA 1.560 14 residues pruned to eliminate duplicates Z: 18 10.690 1.872 0.373 0.278 0.824 0.353 CB 1.576 18 residues pruned to eliminate duplicates Z: 13 10.482 2.042 0.239 0.399 0.917 0.333 CA 1.451 13 residues pruned to eliminate duplicates Z: 11 9.144 1.863 0.201 0.556 0.800 0.400 CB 1.529 11 residues pruned to eliminate duplicates Z: 16 14.425 2.015 0.250 0.382 1.000 0.600 CA 1.676 16 residues pruned to eliminate duplicates Z: 23 12.984 1.945 0.372 0.381 0.818 0.364 CB 1.440 23 residues pruned to eliminate duplicates Z: 12 11.786 2.029 0.307 0.438 0.909 0.545 CA 1.570 12 residues pruned to eliminate duplicates Z: 22 11.170 1.869 0.208 0.292 0.857 0.476 N 1.591 22 residues pruned to eliminate duplicates Z: 17 8.886 1.857 0.396 0.274 0.750 0.375 CA 1.477 17 residues pruned to eliminate duplicates Z: 6 6.190 2.065 0.500 0.299 0.800 0.200 CB 1.399 6 residues pruned to eliminate duplicates Z: 6 3.124 1.569 0.666 0.275 0.800 0.000 CB 0.862 6 residues pruned to eliminate duplicates Z: 6 5.911 1.736 0.252 0.677 1.000 0.600 CB 1.033 6 residues pruned to eliminate duplicates Z: 8 6.135 1.627 0.734 0.626 0.857 0.571 CB 0.852 7 residues pruned to eliminate duplicates Z: 7 3.661 1.726 0.301 0.381 0.667 0.333 CB 1.133 6 1.739 1.552 0.730 0.100 0.600 0.400 CA 0.805 ? 6 1.817 1.514 -0.313 0.454 1.000 0.800 CB 0.819 ? Z: 7 4.926 1.654 0.566 0.454 0.833 0.833 CA 0.976 7 residues pruned to eliminate duplicates Z: 14 10.966 2.033 0.503 0.359 0.846 0.462 CB 1.370 14 residues pruned to eliminate duplicates Z: 17 10.366 1.926 0.479 0.284 0.812 0.250 CB 1.428 11 residues pruned to eliminate duplicates Z: 6 4.861 1.795 0.128 0.375 1.000 0.200 CB 1.227 6 residues pruned to eliminate duplicates Z: 14 10.551 2.052 0.443 0.314 0.923 0.308 CB 1.314 14 residues pruned to eliminate duplicates Z: 16 8.933 1.918 0.259 0.248 0.933 0.467 CB 1.368 16 residues pruned to eliminate duplicates Z: 9 12.420 2.189 0.315 0.503 0.875 0.625 CB 1.737 9 residues pruned to eliminate duplicates Z: 9 14.303 2.161 0.449 0.514 0.875 0.500 CA 1.820 9 residues pruned to eliminate duplicates Z: 10 13.980 2.119 0.323 0.443 1.000 0.667 N 1.764 10 residues pruned to eliminate duplicates Z: 10 15.555 2.158 0.424 0.493 1.000 0.667 CB 1.698 10 residues pruned to eliminate duplicates Z: 6 3.178 1.633 0.176 0.265 1.000 0.800 N 0.968 Z: 7 5.882 1.395 0.735 0.504 1.000 0.167 CB 0.989 7 residues pruned to eliminate duplicates Z: 9 17.568 2.185 0.575 0.551 1.000 0.500 CB 1.717 9 residues pruned to eliminate duplicates Z: 8 8.340 1.944 0.232 0.493 1.000 0.143 CB 1.325 8 residues pruned to eliminate duplicates Z: 7 8.425 1.853 0.551 0.423 1.000 0.167 CB 1.297 7 residues pruned to eliminate duplicates Z: 9 5.734 1.787 0.683 0.322 0.750 0.250 CB 1.093 9 residues pruned to eliminate duplicates Z: 10 5.703 1.797 0.826 0.362 0.778 0.222 CB 0.864 10 residues pruned to eliminate duplicates Z: 8 7.394 2.009 0.692 0.403 0.714 0.143 CB 1.275 7 residues pruned to eliminate duplicates Z: 7 12.343 2.084 0.608 0.499 1.000 0.167 CB 1.505 8 residues pruned to eliminate duplicates Z: 6 7.375 1.941 0.211 0.630 1.000 0.600 CA 1.241 6 residues pruned to eliminate duplicates Z: 15 7.384 1.867 0.014 0.355 1.000 0.429 CB 1.219 15 residues pruned to eliminate duplicates Z: 14 12.097 1.816 0.504 0.508 1.000 0.769 CB 1.218 15 residues pruned to eliminate duplicates Z: 6 7.144 1.807 0.477 0.448 1.000 0.800 CA 1.263 6 residues pruned to eliminate duplicates Z: 41 16.950 1.932 0.206 0.348 0.875 0.525 CA 1.550 41 residues pruned to eliminate duplicates Z: 15 9.458 1.880 0.191 0.409 1.000 0.571 CB 1.242 15 residues pruned to eliminate duplicates Z: 12 10.234 1.937 0.430 0.464 1.000 0.818 CA 1.157 12 residues pruned to eliminate duplicates Z: 16 7.709 1.863 0.160 0.340 0.933 0.467 CB 1.174 16 residues pruned to eliminate duplicates Z: 15 7.595 1.675 0.295 0.330 0.929 0.643 CA 1.214 15 residues pruned to eliminate duplicates Z: 18 9.789 1.907 0.120 0.385 1.000 0.471 CA 1.255 18 residues pruned to eliminate duplicates Z: 17 9.239 1.870 0.106 0.373 0.938 0.500 CA 1.365 17 residues pruned to eliminate duplicates Z: 37 13.850 1.901 0.062 0.363 0.889 0.417 CA 1.491 37 residues pruned to eliminate duplicates Z: 29 14.756 1.933 0.214 0.372 0.857 0.500 CA 1.590 29 residues pruned to eliminate duplicates Z: 42 15.174 1.907 0.104 0.371 0.902 0.512 CA 1.432 42 residues pruned to eliminate duplicates Z: 27 11.896 1.913 0.020 0.345 0.885 0.462 CB 1.599 27 residues pruned to eliminate duplicates Z: 36 16.066 1.956 0.166 0.366 0.914 0.571 CA 1.504 36 residues pruned to eliminate duplicates Z: 26 13.803 1.972 0.203 0.366 0.880 0.440 CA 1.527 26 residues pruned to eliminate duplicates Z: 39 17.374 1.971 0.191 0.366 0.921 0.579 CA 1.505 39 residues pruned to eliminate duplicates Z: 27 14.331 1.931 0.151 0.404 0.923 0.462 CA 1.514 27 residues pruned to eliminate duplicates Z: 30 14.336 1.952 0.246 0.345 0.897 0.345 CA 1.445 30 residues pruned to eliminate duplicates Z: 25 14.662 1.999 0.214 0.377 0.875 0.500 CA 1.607 25 residues pruned to eliminate duplicates Z: 31 14.272 1.881 0.206 0.313 0.933 0.533 CA 1.514 31 residues pruned to eliminate duplicates Z: 24 16.124 1.943 0.225 0.415 0.957 0.478 CA 1.614 24 residues pruned to eliminate duplicates Z: 37 15.487 1.880 0.350 0.340 0.861 0.444 CB 1.406 37 residues pruned to eliminate duplicates Z: 24 13.606 1.931 0.203 0.335 0.870 0.435 CA 1.682 24 residues pruned to eliminate duplicates Z: 41 16.618 1.925 0.227 0.351 0.925 0.450 CA 1.413 41 residues pruned to eliminate duplicates Z: 17 10.882 2.005 0.220 0.336 0.812 0.438 CA 1.638 17 residues pruned to eliminate duplicates Z: 27 14.964 1.953 0.208 0.404 0.923 0.500 CA 1.491 27 residues pruned to eliminate duplicates Z: 34 13.533 1.874 0.218 0.329 0.848 0.333 CA 1.468 34 residues pruned to eliminate duplicates Z: 20 10.150 1.939 0.099 0.325 0.895 0.474 CB 1.481 20 residues pruned to eliminate duplicates Z: 23 13.303 2.006 0.228 0.310 0.818 0.364 CB 1.736 23 residues pruned to eliminate duplicates Z: 40 17.585 1.912 0.191 0.386 0.923 0.410 CB 1.513 40 residues pruned to eliminate duplicates Z: 20 10.243 1.947 0.135 0.325 0.842 0.421 CA 1.531 20 residues pruned to eliminate duplicates Z: 42 17.331 1.920 0.281 0.352 0.878 0.463 CA 1.471 42 residues pruned to eliminate duplicates Z: 20 12.599 1.952 0.242 0.326 0.947 0.421 CA 1.524 20 residues pruned to eliminate duplicates Z: 25 12.324 1.933 0.382 0.284 0.792 0.375 CB 1.517 25 residues pruned to eliminate duplicates Z: 8 5.246 1.745 0.015 0.309 1.000 0.429 CA 1.383 8 residues pruned to eliminate duplicates Z: 6 2.702 1.349 0.410 0.473 0.800 0.600 C 0.816 Z: 6 2.870 1.707 -0.225 0.675 1.000 0.600 CB 0.825 Z: 6 5.845 1.636 0.065 0.824 1.000 0.600 CA 1.133 6 residues pruned to eliminate duplicates Z: 7 4.875 1.522 0.596 0.322 0.833 0.167 CB 1.197 9 residues pruned to eliminate duplicates Z: 8 12.061 1.772 0.995 0.470 1.000 0.429 CA 1.330 8 residues pruned to eliminate duplicates Z: 40 24.389 2.038 0.567 0.449 0.923 0.385 CA 1.396 40 residues pruned to eliminate duplicates Z: 26 19.769 2.113 0.618 0.406 0.920 0.400 CA 1.388 26 residues pruned to eliminate duplicates Z: 8 7.352 1.721 0.544 0.571 1.000 0.571 CA 0.976 8 residues pruned to eliminate duplicates Z: 19 17.867 2.070 0.582 0.302 1.000 0.389 CA 1.602 19 residues pruned to eliminate duplicates Z: 38 24.245 2.131 0.553 0.429 0.838 0.486 CB 1.547 38 residues pruned to eliminate duplicates Z: 39 22.401 2.110 0.502 0.415 0.842 0.553 CB 1.488 39 residues pruned to eliminate duplicates Z: 38 24.352 2.118 0.404 0.468 0.892 0.595 CA 1.560 38 residues pruned to eliminate duplicates Z: 33 15.062 1.894 0.584 0.283 0.812 0.469 CA 1.396 33 residues pruned to eliminate duplicates Z: 18 18.748 2.107 0.614 0.410 0.941 0.588 CB 1.562 18 residues pruned to eliminate duplicates Z: 28 20.196 2.040 0.478 0.395 0.963 0.556 CA 1.496 28 residues pruned to eliminate duplicates Z: 40 22.592 2.095 0.431 0.429 0.872 0.487 CA 1.491 40 residues pruned to eliminate duplicates Z: 25 19.758 2.128 0.496 0.400 0.958 0.625 CA 1.468 25 residues pruned to eliminate duplicates Z: 25 19.833 2.125 0.556 0.393 1.000 0.500 CA 1.371 25 residues pruned to eliminate duplicates Z: 26 18.095 2.105 0.413 0.388 0.920 0.480 CA 1.490 26 residues pruned to eliminate duplicates Z: 26 18.350 2.128 0.547 0.399 0.840 0.560 CA 1.476 26 residues pruned to eliminate duplicates Z: 40 25.039 2.115 0.500 0.410 0.923 0.590 CA 1.505 40 residues pruned to eliminate duplicates Z: 39 21.758 2.071 0.410 0.406 0.868 0.579 CA 1.536 39 residues pruned to eliminate duplicates Z: 40 23.888 2.090 0.431 0.452 0.923 0.538 CA 1.455 40 residues pruned to eliminate duplicates Z: 41 19.858 2.023 0.443 0.407 0.850 0.450 CA 1.396 41 residues pruned to eliminate duplicates Z: 22 14.726 2.065 0.409 0.476 0.810 0.571 CB 1.397 22 residues pruned to eliminate duplicates Z: 39 23.763 2.123 0.466 0.438 0.868 0.553 CA 1.520 39 residues pruned to eliminate duplicates Z: 47 24.988 2.064 0.437 0.439 0.891 0.587 CA 1.484 46 residues pruned to eliminate duplicates Z: 7 2.547 1.482 0.694 0.211 0.833 0.167 CA 0.699 7 residues pruned to eliminate duplicates Z: 15 12.455 1.949 0.673 0.561 0.857 0.429 CB 1.123 15 residues pruned to eliminate duplicates Z: 14 12.373 1.985 0.550 0.568 0.923 0.615 CB 1.131 14 residues pruned to eliminate duplicates Z: 24 12.914 2.048 0.342 0.421 0.783 0.609 CB 1.360 24 residues pruned to eliminate duplicates Z: 15 11.480 2.033 0.557 0.497 0.857 0.500 CB 1.134 15 residues pruned to eliminate duplicates Z: 43 20.300 2.041 0.358 0.406 0.857 0.595 CA 1.456 43 residues pruned to eliminate duplicates Z: 14 12.899 2.031 0.657 0.602 0.923 0.692 CB 1.045 14 residues pruned to eliminate duplicates Z: 31 20.174 2.032 0.364 0.519 0.867 0.633 CB 1.504 32 residues pruned to eliminate duplicates 6 1.757 1.578 0.061 0.316 0.600 0.400 N 0.958 ? Z: 6 5.836 1.413 0.644 0.440 1.000 0.600 CA 1.196 6 residues pruned to eliminate duplicates Z: 46 25.932 2.100 0.396 0.450 0.889 0.556 CA 1.563 46 residues pruned to eliminate duplicates Z: 47 24.833 2.020 0.433 0.441 0.913 0.565 CB 1.472 47 residues pruned to eliminate duplicates Z: 8 4.534 1.697 -0.104 0.533 0.857 0.143 CB 1.273 8 residues pruned to eliminate duplicates Z: 7 3.695 1.769 0.042 0.400 0.667 0.500 N 1.364 7 residues pruned to eliminate duplicates Z: 6 5.293 1.943 0.145 0.402 0.800 0.000 CA 1.474 6 residues pruned to eliminate duplicates Z: 7 4.364 1.674 0.430 0.621 0.667 0.333 CA 0.996 6 residues pruned to eliminate duplicates Z: 8 8.938 1.831 0.421 0.766 0.714 0.286 C 1.436 8 residues pruned to eliminate duplicates Z: 6 10.499 1.987 0.562 0.764 0.800 0.200 C 1.497 7 residues pruned to eliminate duplicates Z: 7 9.395 2.002 0.465 0.771 0.667 0.167 CB 1.544 7 residues pruned to eliminate duplicates Z: 24 17.564 2.006 0.512 0.601 0.913 0.391 CB 1.201 29 residues pruned to eliminate duplicates Z: 10 6.012 1.493 0.535 0.468 0.778 0.444 N 1.162 10 residues pruned to eliminate duplicates Z: 28 16.371 1.953 0.438 0.322 0.852 0.333 CA 1.601 28 residues pruned to eliminate duplicates Z: 6 7.293 1.532 1.026 0.455 1.000 0.800 C 1.100 6 residues pruned to eliminate duplicates Z: 15 14.738 2.027 0.516 0.409 0.857 0.429 N 1.645 15 residues pruned to eliminate duplicates Z: 27 15.136 1.997 0.374 0.371 0.769 0.462 N 1.615 27 residues pruned to eliminate duplicates Z: 28 18.832 2.005 0.461 0.335 0.889 0.370 CB 1.667 28 residues pruned to eliminate duplicates Z: 30 15.297 1.953 0.401 0.372 0.793 0.379 CB 1.502 30 residues pruned to eliminate duplicates Z: 26 14.919 1.886 0.438 0.338 0.840 0.480 N 1.563 26 residues pruned to eliminate duplicates Z: 23 15.959 1.960 0.471 0.362 0.864 0.545 CA 1.584 23 residues pruned to eliminate duplicates Z: 27 16.903 1.970 0.532 0.331 0.846 0.423 N 1.562 27 residues pruned to eliminate duplicates Z: 31 16.122 1.894 0.424 0.302 0.867 0.467 N 1.571 31 residues pruned to eliminate duplicates Z: 18 9.078 1.778 0.231 0.385 0.824 0.588 CB 1.381 18 residues pruned to eliminate duplicates Z: 27 16.192 1.958 0.447 0.345 0.846 0.423 N 1.567 30 residues pruned to eliminate duplicates Z: 6 2.200 1.347 -0.133 0.355 1.000 0.400 C 0.987 6 residues pruned to eliminate duplicates Z: 22 17.275 1.993 0.302 0.428 0.952 0.429 CB 1.645 22 residues pruned to eliminate duplicates Z: 30 15.315 1.898 0.528 0.294 0.793 0.414 CA 1.558 30 residues pruned to eliminate duplicates Z: 28 14.128 1.965 0.367 0.313 0.778 0.407 CB 1.601 28 residues pruned to eliminate duplicates Z: 16 9.906 1.891 0.262 0.329 0.867 0.533 CB 1.492 14 residues pruned to eliminate duplicates Z: 6 2.769 1.703 0.360 0.328 0.600 0.400 CA 1.076 6 residues pruned to eliminate duplicates Z: 22 17.529 2.027 0.600 0.439 0.952 0.429 CA 1.319 22 residues pruned to eliminate duplicates Z: 14 10.622 1.972 0.415 0.319 0.923 0.231 CB 1.398 14 residues pruned to eliminate duplicates Z: 31 17.746 2.020 0.372 0.415 0.900 0.400 CB 1.419 31 residues pruned to eliminate duplicates Z: 22 12.000 1.998 0.407 0.389 0.857 0.381 CA 1.223 22 residues pruned to eliminate duplicates Z: 25 11.883 1.919 0.374 0.314 0.833 0.375 CB 1.356 25 residues pruned to eliminate duplicates Z: 29 18.650 2.039 0.389 0.412 0.964 0.393 CA 1.414 29 residues pruned to eliminate duplicates Z: 58 34.863 2.105 0.433 0.565 0.947 0.544 CA 1.517 58 residues pruned to eliminate duplicates Z: 25 13.722 1.982 0.288 0.413 0.833 0.542 CB 1.441 25 residues pruned to eliminate duplicates Z: 53 24.713 1.970 0.361 0.498 0.923 0.558 CA 1.387 53 residues pruned to eliminate duplicates Z: 28 16.060 2.015 0.291 0.401 0.926 0.370 CA 1.424 28 residues pruned to eliminate duplicates Z: 22 17.349 2.080 0.451 0.423 0.952 0.429 CA 1.428 22 residues pruned to eliminate duplicates Z: 27 12.762 1.990 0.311 0.359 0.846 0.423 CB 1.320 27 residues pruned to eliminate duplicates Z: 17 15.120 2.086 0.479 0.399 0.938 0.438 CA 1.454 17 residues pruned to eliminate duplicates Z: 42 25.490 2.046 0.538 0.580 0.878 0.512 CA 1.334 56 residues pruned to eliminate duplicates Z: 6 3.808 1.419 0.666 0.455 1.000 0.800 N 0.754 6 residues pruned to eliminate duplicates Z: 26 16.807 2.090 0.350 0.367 0.920 0.440 CA 1.494 26 residues pruned to eliminate duplicates Z: 26 15.409 2.064 0.267 0.375 0.920 0.400 CA 1.463 26 residues pruned to eliminate duplicates Z: 47 25.865 2.062 0.362 0.553 1.000 0.609 CA 1.290 47 residues pruned to eliminate duplicates Z: 20 21.601 2.133 0.367 0.835 1.000 0.632 CA 1.273 20 residues pruned to eliminate duplicates Z: 59 37.277 2.092 0.567 0.603 0.966 0.552 CA 1.402 59 residues pruned to eliminate duplicates Z: 21 18.353 2.025 0.676 0.716 0.900 0.550 CA 1.105 21 residues pruned to eliminate duplicates Z: 31 23.856 1.981 0.673 0.655 0.900 0.633 CA 1.264 31 residues pruned to eliminate duplicates Z: 23 18.616 1.995 0.550 0.637 0.955 0.409 CA 1.182 23 residues pruned to eliminate duplicates Z: 47 27.721 2.052 0.475 0.546 1.000 0.522 CA 1.291 47 residues pruned to eliminate duplicates Z: 11 24.651 2.171 0.804 0.897 1.000 0.500 CA 1.425 11 residues pruned to eliminate duplicates Z: 40 25.025 2.099 0.493 0.571 0.872 0.410 CA 1.370 40 residues pruned to eliminate duplicates Z: 83 43.783 2.097 0.627 0.571 0.878 0.561 CA 1.508 82 residues pruned to eliminate duplicates Z: 21 25.574 2.070 0.537 0.889 1.000 0.700 CA 1.294 21 residues pruned to eliminate duplicates Z: 60 37.173 2.070 0.572 0.565 0.983 0.492 CA 1.420 59 residues pruned to eliminate duplicates Z: 19 21.412 2.004 0.788 0.801 0.889 0.556 CA 1.219 19 residues pruned to eliminate duplicates Z: 23 21.394 1.979 0.756 0.665 0.864 0.500 CA 1.305 23 residues pruned to eliminate duplicates Z: 57 38.743 2.046 0.639 0.589 0.964 0.714 CA 1.469 57 residues pruned to eliminate duplicates Z: 45 28.938 2.062 0.536 0.632 0.909 0.614 CA 1.339 45 residues pruned to eliminate duplicates Z: 25 23.430 2.076 0.536 0.721 0.958 0.667 CA 1.281 25 residues pruned to eliminate duplicates Z: 72 42.779 2.094 0.557 0.556 0.958 0.549 CA 1.540 72 residues pruned to eliminate duplicates Z: 87 45.138 2.079 0.548 0.533 0.953 0.523 CA 1.536 87 residues pruned to eliminate duplicates Z: 20 23.404 2.033 0.738 0.857 1.000 0.526 CA 1.119 20 residues pruned to eliminate duplicates Z: 35 25.791 2.050 0.615 0.668 0.941 0.529 CA 1.215 35 residues pruned to eliminate duplicates Z: 13 7.716 1.766 0.465 0.519 0.750 0.417 CA 1.126 13 residues pruned to eliminate duplicates Z: 47 35.414 2.063 0.782 0.624 0.891 0.435 CA 1.417 47 residues pruned to eliminate duplicates Z: 82 45.587 2.109 0.553 0.543 0.963 0.469 CB 1.541 82 residues pruned to eliminate duplicates Z: 48 36.664 2.061 0.697 0.628 0.936 0.404 CA 1.448 48 residues pruned to eliminate duplicates Z: 57 35.973 2.107 0.541 0.587 0.964 0.500 CA 1.412 57 residues pruned to eliminate duplicates Z: 22 20.343 2.042 0.373 0.575 1.000 0.667 CB 1.473 22 residues pruned to eliminate duplicates Z: 64 40.120 2.041 0.671 0.601 0.937 0.444 CA 1.437 64 residues pruned to eliminate duplicates Z: 48 30.597 2.101 0.554 0.480 0.915 0.426 CB 1.524 48 residues pruned to eliminate duplicates Z: 12 25.239 2.197 0.770 0.854 1.000 0.727 CB 1.445 12 residues pruned to eliminate duplicates Z: 51 35.479 2.053 0.615 0.625 0.900 0.480 CA 1.495 51 residues pruned to eliminate duplicates Z: 42 37.910 2.124 0.629 0.674 1.000 0.537 CA 1.457 42 residues pruned to eliminate duplicates Z: 42 34.006 2.071 0.673 0.674 0.927 0.561 CA 1.409 42 residues pruned to eliminate duplicates Z: 68 39.835 2.089 0.607 0.559 0.940 0.448 CA 1.455 68 residues pruned to eliminate duplicates Z: 66 41.832 2.123 0.608 0.601 0.923 0.600 CA 1.496 66 residues pruned to eliminate duplicates Z: 44 32.226 2.049 0.633 0.653 0.930 0.535 CA 1.369 44 residues pruned to eliminate duplicates Z: 43 34.912 2.098 0.584 0.662 1.000 0.619 CA 1.395 43 residues pruned to eliminate duplicates Z: 67 40.579 2.088 0.589 0.584 0.924 0.485 CA 1.502 67 residues pruned to eliminate duplicates Z: 61 35.929 2.032 0.604 0.541 0.950 0.483 CA 1.439 61 residues pruned to eliminate duplicates Z: 58 33.945 2.061 0.654 0.583 0.895 0.491 CA 1.361 58 residues pruned to eliminate duplicates Z: 61 39.775 2.106 0.554 0.590 0.933 0.500 CA 1.542 61 residues pruned to eliminate duplicates Z: 65 41.432 2.150 0.595 0.585 0.922 0.500 CA 1.510 65 residues pruned to eliminate duplicates Z: 88 40.196 2.049 0.500 0.536 0.931 0.517 CA 1.454 88 residues pruned to eliminate duplicates Z: 67 39.267 2.104 0.561 0.587 0.909 0.515 CA 1.489 67 residues pruned to eliminate duplicates Z: 20 17.643 2.017 0.394 0.441 0.947 0.474 CB 1.614 20 residues pruned to eliminate duplicates Z: 71 36.437 2.049 0.468 0.577 0.957 0.571 CA 1.404 71 residues pruned to eliminate duplicates Z: 96 39.811 2.037 0.620 0.465 0.853 0.558 CA 1.504 96 residues pruned to eliminate duplicates Z: 22 19.481 2.157 0.313 0.493 0.905 0.571 CB 1.671 22 residues pruned to eliminate duplicates Z: 23 21.854 2.176 0.475 0.464 0.909 0.636 CA 1.656 23 residues pruned to eliminate duplicates Z: 62 38.503 2.084 0.555 0.573 0.951 0.508 CA 1.491 62 residues pruned to eliminate duplicates Z: 24 23.403 2.113 0.495 0.497 0.957 0.565 CA 1.620 24 residues pruned to eliminate duplicates Z: 27 21.786 2.130 0.454 0.431 0.923 0.538 CA 1.605 27 residues pruned to eliminate duplicates Z: 25 18.684 2.042 0.385 0.503 0.917 0.542 CA 1.467 25 residues pruned to eliminate duplicates Z: 65 42.948 2.142 0.632 0.605 0.922 0.578 CA 1.507 65 residues pruned to eliminate duplicates Z: 78 43.222 2.094 0.579 0.588 0.948 0.532 CA 1.444 78 residues pruned to eliminate duplicates Z: 67 42.501 2.097 0.570 0.605 0.970 0.515 CA 1.483 67 residues pruned to eliminate duplicates Z: 24 21.687 2.102 0.634 0.455 0.870 0.565 CB 1.586 24 residues pruned to eliminate duplicates Z: 24 20.669 2.100 0.461 0.476 0.870 0.609 CB 1.655 24 residues pruned to eliminate duplicates Z: 33 20.596 2.030 0.478 0.385 0.906 0.531 CB 1.513 33 residues pruned to eliminate duplicates Z: 67 42.313 2.092 0.689 0.607 0.909 0.561 CA 1.464 67 residues pruned to eliminate duplicates Z: 69 39.826 2.090 0.592 0.600 0.912 0.559 CA 1.448 69 residues pruned to eliminate duplicates Z: 33 20.004 2.054 0.462 0.413 0.844 0.438 CA 1.528 33 residues pruned to eliminate duplicates Z: 8 2.339 1.579 0.373 0.131 0.571 0.429 CA 1.130 8 residues pruned to eliminate duplicates Z: 24 19.490 2.117 0.457 0.464 0.870 0.522 CB 1.572 24 residues pruned to eliminate duplicates Z: 25 22.377 2.041 0.700 0.490 0.875 0.542 CA 1.519 25 residues pruned to eliminate duplicates Z: 15 13.005 2.012 0.839 0.313 0.857 0.643 CB 1.348 15 residues pruned to eliminate duplicates Z: 6 7.851 2.023 0.559 0.275 1.000 0.800 CA 1.437 6 residues pruned to eliminate duplicates Z: 13 10.673 2.124 0.549 0.315 0.750 0.583 CB 1.532 13 residues pruned to eliminate duplicates Z: 15 8.841 1.996 0.552 0.250 0.786 0.429 CB 1.294 15 residues pruned to eliminate duplicates Z: 15 9.294 1.901 0.448 0.289 0.786 0.643 CB 1.455 15 residues pruned to eliminate duplicates Z: 12 10.512 2.089 0.370 0.346 0.818 0.636 CA 1.601 15 residues pruned to eliminate duplicates Z: 6 5.073 1.958 0.695 0.414 0.800 0.600 CB 0.935 6 residues pruned to eliminate duplicates Z: 14 8.605 1.984 0.458 0.355 0.692 0.462 CB 1.393 14 residues pruned to eliminate duplicates Z: 13 11.009 1.999 0.536 0.306 1.000 0.333 CB 1.284 13 residues pruned to eliminate duplicates Z: 25 15.347 1.901 0.515 0.360 0.917 0.500 CB 1.380 38 residues pruned to eliminate duplicates Z: 40 43.477 2.278 0.760 0.651 0.949 0.667 CA 1.590 40 residues pruned to eliminate duplicates Z: 64 42.112 2.214 0.540 0.546 0.952 0.587 CA 1.561 64 residues pruned to eliminate duplicates Z: 52 39.632 2.201 0.546 0.633 0.941 0.608 CA 1.529 52 residues pruned to eliminate duplicates Z: 46 44.636 2.220 0.652 0.632 0.956 0.533 CB 1.677 46 residues pruned to eliminate duplicates Z: 75 43.548 2.187 0.546 0.509 0.892 0.554 CB 1.664 75 residues pruned to eliminate duplicates Z: 45 41.247 2.195 0.621 0.634 0.955 0.682 CA 1.614 45 residues pruned to eliminate duplicates Z: 51 41.190 2.222 0.578 0.616 0.920 0.580 CA 1.618 51 residues pruned to eliminate duplicates Z: 49 49.846 2.250 0.622 0.660 1.000 0.646 CA 1.699 49 residues pruned to eliminate duplicates Z: 27 27.359 2.245 0.658 0.594 0.923 0.654 CA 1.428 27 residues pruned to eliminate duplicates Z: 44 37.357 2.136 0.665 0.595 0.930 0.512 CA 1.573 44 residues pruned to eliminate duplicates Z: 49 50.276 2.257 0.733 0.625 0.958 0.542 CA 1.722 49 residues pruned to eliminate duplicates Z: 28 33.733 2.299 0.610 0.636 0.963 0.630 CA 1.604 28 residues pruned to eliminate duplicates Z: 60 39.517 2.220 0.500 0.525 0.932 0.593 CB 1.617 60 residues pruned to eliminate duplicates Z: 45 44.209 2.211 0.714 0.644 0.932 0.659 CB 1.650 45 residues pruned to eliminate duplicates Z: 52 44.879 2.190 0.650 0.614 0.941 0.647 CA 1.659 52 residues pruned to eliminate duplicates Z: 48 36.949 2.173 0.534 0.622 0.936 0.660 CB 1.539 48 residues pruned to eliminate duplicates Z: 30 40.681 2.207 0.691 0.707 0.966 0.552 CA 1.738 30 residues pruned to eliminate duplicates Z: 44 48.823 2.266 0.784 0.660 0.930 0.581 CA 1.707 44 residues pruned to eliminate duplicates Z: 28 33.095 2.171 0.781 0.583 0.852 0.407 CA 1.785 28 residues pruned to eliminate duplicates Z: 44 47.531 2.279 0.701 0.652 0.930 0.512 CB 1.745 44 residues pruned to eliminate duplicates Z: 40 48.550 2.291 0.791 0.642 0.974 0.564 CA 1.703 40 residues pruned to eliminate duplicates Z: 21 48.864 2.326 0.837 0.919 1.000 0.650 CA 1.802 21 residues pruned to eliminate duplicates Z: 45 45.712 2.249 0.641 0.648 0.955 0.545 CA 1.705 45 residues pruned to eliminate duplicates Z: 43 43.850 2.258 0.588 0.656 0.976 0.548 CA 1.673 43 residues pruned to eliminate duplicates Z: 50 37.754 2.206 0.740 0.537 0.816 0.490 CA 1.661 50 residues pruned to eliminate duplicates Z: 43 39.257 2.228 0.612 0.620 0.929 0.524 CB 1.622 43 residues pruned to eliminate duplicates Z: 52 45.084 2.228 0.681 0.593 0.922 0.510 CB 1.674 52 residues pruned to eliminate duplicates Z: 55 38.474 2.138 0.559 0.584 0.926 0.519 CA 1.564 55 residues pruned to eliminate duplicates Z: 51 51.481 2.243 0.685 0.668 0.960 0.580 CB 1.717 51 residues pruned to eliminate duplicates Z: 34 43.851 2.271 0.746 0.746 0.909 0.485 CB 1.700 34 residues pruned to eliminate duplicates Z: 54 39.497 2.197 0.530 0.595 0.887 0.547 CB 1.661 54 residues pruned to eliminate duplicates Z: 48 43.539 2.237 0.682 0.628 0.915 0.574 CA 1.636 48 residues pruned to eliminate duplicates Z: 51 44.049 2.221 0.546 0.633 0.960 0.440 CB 1.667 51 residues pruned to eliminate duplicates Z: 53 41.782 2.201 0.517 0.606 0.962 0.442 CB 1.632 53 residues pruned to eliminate duplicates Z: 43 41.161 2.198 0.642 0.681 0.976 0.667 CA 1.526 43 residues pruned to eliminate duplicates Z: 50 40.389 2.186 0.690 0.622 0.878 0.388 CA 1.586 50 residues pruned to eliminate duplicates Z: 43 45.159 2.274 0.678 0.663 0.976 0.524 CA 1.609 43 residues pruned to eliminate duplicates Z: 71 46.473 2.239 0.607 0.515 0.914 0.471 CA 1.664 71 residues pruned to eliminate duplicates Z: 53 44.697 2.216 0.672 0.591 0.942 0.423 CA 1.627 53 residues pruned to eliminate duplicates Z: 53 46.036 2.223 0.661 0.585 0.962 0.519 CA 1.657 53 residues pruned to eliminate duplicates Z: 53 38.022 2.199 0.578 0.564 0.885 0.442 CA 1.615 53 residues pruned to eliminate duplicates Z: 25 16.610 2.069 0.382 0.467 0.833 0.250 CB 1.471 25 residues pruned to eliminate duplicates Z: 26 17.455 1.999 0.387 0.460 0.840 0.360 CA 1.562 26 residues pruned to eliminate duplicates Z: 7 10.005 2.172 0.494 0.395 1.000 0.167 CB 1.406 7 residues pruned to eliminate duplicates Z: 74 41.433 2.171 0.529 0.512 0.904 0.397 CA 1.597 74 residues pruned to eliminate duplicates Z: 23 21.789 2.113 0.575 0.504 0.909 0.318 CB 1.530 23 residues pruned to eliminate duplicates Z: 49 41.970 2.223 0.742 0.607 0.896 0.479 CB 1.578 49 residues pruned to eliminate duplicates Z: 25 20.471 2.250 0.412 0.328 0.917 0.500 CA 1.732 25 residues pruned to eliminate duplicates Z: 21 14.860 2.121 0.626 0.247 0.900 0.400 CA 1.433 21 residues pruned to eliminate duplicates Z: 30 18.372 2.111 0.549 0.265 0.862 0.483 CB 1.582 30 residues pruned to eliminate duplicates Z: 35 24.527 2.131 0.461 0.412 0.971 0.412 CB 1.526 35 residues pruned to eliminate duplicates Z: 72 47.580 2.239 0.604 0.528 0.944 0.535 CA 1.621 72 residues pruned to eliminate duplicates Z: 27 21.061 2.205 0.391 0.380 0.923 0.462 CA 1.656 27 residues pruned to eliminate duplicates Z: 24 15.885 2.081 0.414 0.274 0.913 0.522 CA 1.593 24 residues pruned to eliminate duplicates Z: 11 11.215 2.252 0.489 0.263 0.900 0.500 CA 1.540 11 residues pruned to eliminate duplicates Z: 19 10.289 2.099 0.144 0.323 0.944 0.444 CA 1.299 19 residues pruned to eliminate duplicates Z: 17 14.023 2.191 0.518 0.234 0.938 0.438 CA 1.532 17 residues pruned to eliminate duplicates Z: 13 7.542 2.192 0.331 0.198 0.833 0.417 CA 1.284 13 residues pruned to eliminate duplicates Z: 73 35.917 2.128 0.366 0.525 0.889 0.556 CB 1.597 73 residues pruned to eliminate duplicates Z: 45 25.448 2.157 0.300 0.398 0.886 0.545 CA 1.720 45 residues pruned to eliminate duplicates Z: 45 26.875 2.189 0.526 0.387 0.864 0.409 CB 1.584 45 residues pruned to eliminate duplicates Z: 45 27.111 2.157 0.470 0.404 0.886 0.364 CB 1.609 45 residues pruned to eliminate duplicates Z: 97 51.121 2.159 0.521 0.541 0.927 0.469 CB 1.646 97 residues pruned to eliminate duplicates Z: 22 17.415 2.274 0.565 0.307 0.905 0.476 CA 1.463 22 residues pruned to eliminate duplicates Z: 9 11.247 2.229 0.280 0.541 1.000 0.625 CA 1.338 9 residues pruned to eliminate duplicates Z: 13 13.094 2.261 0.312 0.430 0.917 0.500 CA 1.495 13 residues pruned to eliminate duplicates Z: 21 15.081 2.257 0.434 0.300 0.900 0.400 CA 1.447 21 residues pruned to eliminate duplicates Z: 33 14.634 2.083 0.496 0.237 0.781 0.406 CA 1.441 33 residues pruned to eliminate duplicates Z: 49 24.980 2.130 0.355 0.420 0.875 0.479 CA 1.552 49 residues pruned to eliminate duplicates Z: 95 45.373 2.201 0.471 0.515 0.883 0.489 CA 1.613 95 residues pruned to eliminate duplicates Z: 59 28.975 2.085 0.388 0.453 0.879 0.569 CB 1.568 59 residues pruned to eliminate duplicates Z: 23 19.544 2.073 0.127 0.646 0.909 0.682 CB 1.711 23 residues pruned to eliminate duplicates Z: 38 21.863 2.155 0.441 0.326 0.865 0.405 CA 1.620 38 residues pruned to eliminate duplicates Z: 47 25.797 2.137 0.331 0.482 0.870 0.587 CA 1.566 47 residues pruned to eliminate duplicates Z: 25 19.250 2.091 0.141 0.606 0.875 0.667 CB 1.702 25 residues pruned to eliminate duplicates Z: 33 23.633 2.041 0.263 0.667 0.875 0.625 CA 1.588 33 residues pruned to eliminate duplicates Z: 33 16.923 1.891 0.622 0.378 0.719 0.406 CB 1.546 33 residues pruned to eliminate duplicates Z: 15 10.239 1.964 0.194 0.454 0.786 0.643 N 1.556 15 residues pruned to eliminate duplicates Z: 14 10.028 1.937 0.104 0.528 0.846 0.692 CB 1.495 14 residues pruned to eliminate duplicates Z: 16 9.518 1.954 0.148 0.449 0.800 0.533 N 1.443 16 residues pruned to eliminate duplicates Z: 47 25.322 2.045 0.308 0.537 0.891 0.478 CA 1.511 47 residues pruned to eliminate duplicates Z: 29 23.197 2.082 0.221 0.652 0.893 0.750 CB 1.677 29 residues pruned to eliminate duplicates Z: 34 17.605 2.151 0.289 0.355 0.818 0.515 CA 1.581 34 residues pruned to eliminate duplicates Z: 27 21.929 2.125 0.237 0.583 0.885 0.692 CA 1.707 27 residues pruned to eliminate duplicates Z: 51 24.779 2.058 0.308 0.575 0.840 0.620 CB 1.442 59 residues pruned to eliminate duplicates Z: 22 19.053 2.120 0.243 0.623 0.905 0.857 CB 1.552 22 residues pruned to eliminate duplicates Z: 35 26.679 2.044 0.406 0.643 0.853 0.588 CB 1.633 35 residues pruned to eliminate duplicates Z: 29 27.019 2.105 0.411 0.704 0.857 0.714 N 1.666 29 residues pruned to eliminate duplicates Z: 37 24.949 2.010 0.302 0.629 0.917 0.583 CB 1.536 37 residues pruned to eliminate duplicates Z: 27 32.077 2.107 0.566 0.712 0.962 0.692 CB 1.635 27 residues pruned to eliminate duplicates Z: 30 26.469 2.095 0.491 0.668 0.828 0.586 CB 1.628 30 residues pruned to eliminate duplicates Z: 39 27.411 2.025 0.466 0.626 0.842 0.553 CA 1.580 39 residues pruned to eliminate duplicates Z: 23 25.254 2.088 0.555 0.711 0.955 0.682 CB 1.434 23 residues pruned to eliminate duplicates Z: 32 26.624 2.059 0.463 0.670 0.871 0.548 CB 1.557 32 residues pruned to eliminate duplicates Z: 31 30.355 2.025 0.588 0.696 0.900 0.633 CB 1.601 31 residues pruned to eliminate duplicates Z: 35 25.225 2.026 0.504 0.625 0.882 0.676 CB 1.431 35 residues pruned to eliminate duplicates Z: 55 27.698 2.014 0.457 0.529 0.833 0.426 CB 1.497 55 residues pruned to eliminate duplicates Z: 35 25.492 2.050 0.480 0.643 0.794 0.559 CB 1.586 35 residues pruned to eliminate duplicates Z: 24 27.410 2.148 0.618 0.712 0.913 0.522 CB 1.486 24 residues pruned to eliminate duplicates Z: 38 24.651 1.953 0.482 0.612 0.838 0.432 CB 1.503 38 residues pruned to eliminate duplicates Z: 110 44.909 2.087 0.571 0.494 0.835 0.394 CB 1.581 110 residues pruned to eliminate duplicates Z: 10 5.907 1.925 0.070 0.561 0.778 0.444 CB 1.158 10 residues pruned to eliminate duplicates Z: 14 7.101 1.888 0.461 0.350 0.615 0.385 CB 1.365 14 residues pruned to eliminate duplicates Z: 37 25.994 1.977 0.613 0.585 0.833 0.500 CB 1.503 37 residues pruned to eliminate duplicates Z: 11 4.005 1.824 0.354 0.250 0.600 0.300 CA 1.140 11 residues pruned to eliminate duplicates Z: 19 13.562 1.871 0.580 0.536 0.778 0.389 CB 1.341 19 residues pruned to eliminate duplicates Z: 65 26.804 2.051 0.430 0.419 0.812 0.406 CB 1.531 65 residues pruned to eliminate duplicates Z: 74 29.606 2.069 0.358 0.466 0.822 0.397 CB 1.553 74 residues pruned to eliminate duplicates Z: 26 14.950 2.022 0.412 0.358 0.880 0.480 CB 1.387 15 residues pruned to eliminate duplicates Z: 8 6.067 1.238 0.740 0.508 1.000 0.429 CA 1.056 8 residues pruned to eliminate duplicates Z: 20 14.522 2.006 0.348 0.444 0.895 0.368 CA 1.458 20 residues pruned to eliminate duplicates Z: 21 12.592 1.918 0.351 0.425 0.850 0.400 CB 1.382 21 residues pruned to eliminate duplicates Z: 16 14.654 2.091 0.256 0.533 0.933 0.533 CB 1.493 16 residues pruned to eliminate duplicates Z: 15 15.224 2.178 0.403 0.482 0.929 0.429 CB 1.459 15 residues pruned to eliminate duplicates Z: 25 12.515 1.854 0.312 0.446 0.833 0.500 CB 1.333 25 residues pruned to eliminate duplicates Z: 14 13.045 2.144 0.439 0.430 0.846 0.615 CB 1.491 14 residues pruned to eliminate duplicates Z: 26 14.888 1.971 0.473 0.375 0.840 0.440 CB 1.396 26 residues pruned to eliminate duplicates Z: 20 14.483 2.052 0.379 0.438 0.895 0.421 CB 1.400 20 residues pruned to eliminate duplicates Z: 26 14.700 1.967 0.399 0.384 0.800 0.400 CB 1.511 26 residues pruned to eliminate duplicates Z: 19 10.851 1.958 0.220 0.402 0.833 0.667 CB 1.425 19 residues pruned to eliminate duplicates Z: 23 12.303 1.946 0.388 0.415 0.864 0.364 CB 1.229 23 residues pruned to eliminate duplicates Z: 7 2.408 1.642 0.613 0.094 0.667 0.333 N 0.938 7 residues pruned to eliminate duplicates Z: 9 2.314 1.563 0.578 0.072 0.625 0.250 CB 0.927 9 residues pruned to eliminate duplicates Z: 11 4.880 1.629 0.543 0.121 0.700 0.200 N 1.412 9 residues pruned to eliminate duplicates Z: 6 2.451 1.370 -0.033 0.556 0.800 0.400 C 0.980 6 residues pruned to eliminate duplicates Z: 12 6.788 1.854 0.162 0.253 0.909 0.455 CA 1.388 12 residues pruned to eliminate duplicates Z: 28 16.786 2.054 0.305 0.446 0.852 0.556 CA 1.495 28 residues pruned to eliminate duplicates Z: 13 10.768 2.092 0.567 0.447 0.750 0.500 CA 1.335 13 residues pruned to eliminate duplicates Z: 19 16.610 2.031 0.762 0.435 0.833 0.667 CA 1.404 19 residues pruned to eliminate duplicates Z: 29 18.893 1.987 0.546 0.370 0.893 0.536 CA 1.496 29 residues pruned to eliminate duplicates Z: 30 18.930 1.983 0.516 0.388 0.897 0.552 CA 1.469 30 residues pruned to eliminate duplicates Z: 19 11.354 1.994 0.460 0.343 0.833 0.444 CA 1.308 19 residues pruned to eliminate duplicates Z: 28 18.695 2.059 0.586 0.381 0.889 0.630 CA 1.406 28 residues pruned to eliminate duplicates Z: 18 17.344 2.070 0.666 0.503 0.824 0.647 CA 1.477 18 residues pruned to eliminate duplicates Z: 23 18.455 2.106 0.507 0.464 0.864 0.682 CA 1.488 23 residues pruned to eliminate duplicates Z: 19 17.606 2.030 0.606 0.528 0.889 0.667 CA 1.393 19 residues pruned to eliminate duplicates Z: 31 15.339 2.069 0.245 0.383 0.867 0.600 CA 1.421 31 residues pruned to eliminate duplicates Z: 41 26.657 2.014 0.417 0.595 0.925 0.650 CA 1.459 41 residues pruned to eliminate duplicates Z: 22 12.603 2.074 0.393 0.393 0.762 0.524 CA 1.400 22 residues pruned to eliminate duplicates Z: 16 12.886 2.010 0.507 0.427 0.800 0.667 CB 1.482 16 residues pruned to eliminate duplicates Z: 11 13.028 2.015 0.601 0.458 0.900 0.600 CB 1.482 11 residues pruned to eliminate duplicates Z: 11 10.045 1.993 0.595 0.462 0.800 0.500 CB 1.298 11 residues pruned to eliminate duplicates Z: 15 17.924 2.029 0.386 0.571 1.000 0.786 CA 1.591 15 residues pruned to eliminate duplicates Z: 12 14.509 2.085 0.445 0.460 0.909 0.818 CA 1.665 12 residues pruned to eliminate duplicates Z: 49 27.536 2.033 0.397 0.523 0.896 0.708 CA 1.528 49 residues pruned to eliminate duplicates Z: 41 29.635 2.127 0.405 0.608 0.925 0.700 CA 1.529 41 residues pruned to eliminate duplicates Z: 28 13.415 2.015 0.383 0.370 0.815 0.593 CA 1.306 28 residues pruned to eliminate duplicates Z: 36 27.381 1.969 0.575 0.555 0.886 0.629 CA 1.597 36 residues pruned to eliminate duplicates Z: 37 32.930 2.024 0.489 0.649 0.972 0.639 CA 1.631 33 residues pruned to eliminate duplicates Z: 17 31.254 2.183 0.550 0.873 1.000 0.750 CA 1.682 17 residues pruned to eliminate duplicates Z: 20 29.437 2.110 0.595 0.779 1.000 0.737 CB 1.569 20 residues pruned to eliminate duplicates Z: 40 38.227 2.011 0.624 0.671 0.949 0.641 CB 1.686 35 residues pruned to eliminate duplicates Z: 21 36.291 2.136 0.539 0.882 1.000 0.650 CB 1.786 21 residues pruned to eliminate duplicates Z: 28 32.857 2.123 0.538 0.737 0.963 0.741 CB 1.626 28 residues pruned to eliminate duplicates Z: 27 33.991 2.085 0.753 0.662 0.962 0.692 CB 1.632 27 residues pruned to eliminate duplicates Z: 27 34.059 2.128 0.634 0.762 1.000 0.769 CB 1.522 27 residues pruned to eliminate duplicates Z: 24 38.444 2.084 0.848 0.788 1.000 0.739 CB 1.616 24 residues pruned to eliminate duplicates Z: 68 35.465 1.948 0.650 0.527 0.881 0.537 CB 1.491 64 residues pruned to eliminate duplicates Z: 19 27.017 2.015 0.768 0.892 0.889 0.778 CB 1.445 19 residues pruned to eliminate duplicates Z: 42 29.187 2.071 0.545 0.520 0.878 0.488 CA 1.590 42 residues pruned to eliminate duplicates Z: 26 32.494 2.006 0.722 0.781 0.920 0.520 CA 1.597 26 residues pruned to eliminate duplicates Z: 61 33.157 1.992 0.618 0.543 0.867 0.550 CA 1.470 61 residues pruned to eliminate duplicates Z: 53 36.226 2.007 0.698 0.552 0.885 0.519 CA 1.584 58 residues pruned to eliminate duplicates Z: 22 39.022 2.078 0.927 0.914 0.952 0.714 CA 1.579 22 residues pruned to eliminate duplicates Z: 27 31.001 1.969 0.751 0.728 0.923 0.500 CA 1.555 27 residues pruned to eliminate duplicates Z: 26 29.612 1.943 0.864 0.791 0.840 0.360 CB 1.508 26 residues pruned to eliminate duplicates Z: 61 37.823 1.976 0.707 0.528 0.900 0.550 CB 1.565 60 residues pruned to eliminate duplicates Z: 13 22.044 1.824 0.880 0.764 1.000 0.417 CA 1.469 13 residues pruned to eliminate duplicates Z: 25 42.522 2.060 1.016 0.808 1.000 0.500 CB 1.598 25 residues pruned to eliminate duplicates Z: 10 5.257 1.673 0.746 0.219 0.667 0.222 CA 1.252 10 residues pruned to eliminate duplicates Z: 12 6.251 1.686 0.750 0.258 0.727 0.273 CA 1.158 12 residues pruned to eliminate duplicates Z: 41 24.463 1.899 0.768 0.577 0.800 0.300 CB 1.337 37 residues pruned to eliminate duplicates Z: 6 2.045 1.556 0.453 0.302 0.400 0.000 CB 1.261 6 residues pruned to eliminate duplicates Z: 9 4.484 1.799 0.608 0.259 0.625 0.125 CB 1.156 13 residues pruned to eliminate duplicates Z: 9 9.801 1.531 1.232 0.604 0.875 0.375 CB 1.050 8 residues pruned to eliminate duplicates Z: 8 4.474 1.407 0.628 0.556 0.857 0.429 CA 0.815 5 residues pruned to eliminate duplicates Z: 7 5.436 1.550 0.708 0.576 0.833 0.500 CA 0.935 7 residues pruned to eliminate duplicates Z: 11 9.214 1.760 0.992 0.418 0.800 0.300 CB 1.132 11 residues pruned to eliminate duplicates Z: 11 4.566 1.841 0.544 0.472 0.700 0.400 CB 0.747 8 residues pruned to eliminate duplicates Z: 8 4.677 1.853 0.574 0.549 0.714 0.571 CB 0.809 8 residues pruned to eliminate duplicates Z: 13 5.893 1.916 0.706 0.316 0.667 0.417 CB 0.957 13 residues pruned to eliminate duplicates Z: 9 4.868 1.893 0.730 0.400 0.625 0.250 CB 0.934 9 residues pruned to eliminate duplicates Z: 18 6.793 1.744 0.453 0.395 0.824 0.471 CB 0.882 16 residues pruned to eliminate duplicates Z: 7 4.927 1.987 0.609 0.298 0.667 0.333 CB 1.183 7 residues pruned to eliminate duplicates Z: 8 3.835 2.012 0.343 0.279 0.571 0.286 CB 1.205 8 residues pruned to eliminate duplicates Z: 14 7.607 2.008 0.226 0.356 0.692 0.385 CB 1.446 14 residues pruned to eliminate duplicates Z: 16 9.613 2.052 0.251 0.290 0.800 0.333 CB 1.529 16 residues pruned to eliminate duplicates Z: 18 6.418 1.830 0.197 0.362 0.647 0.471 CA 1.274 18 residues pruned to eliminate duplicates Z: 19 7.994 1.881 0.240 0.319 0.778 0.333 CB 1.268 19 residues pruned to eliminate duplicates Z: 17 11.041 1.972 0.362 0.353 0.875 0.375 CB 1.377 15 residues pruned to eliminate duplicates Z: 6 2.378 1.713 0.431 0.314 1.000 0.600 CA 0.533 6 residues pruned to eliminate duplicates Z: 19 6.870 1.941 0.191 0.288 0.611 0.389 CB 1.455 19 residues pruned to eliminate duplicates Z: 18 10.623 2.064 0.318 0.372 0.706 0.471 CB 1.538 15 residues pruned to eliminate duplicates Z: 6 3.431 1.777 -0.014 0.381 0.800 0.200 CA 1.243 6 residues pruned to eliminate duplicates Z: 16 8.335 2.032 0.482 0.104 0.800 0.200 CB 1.478 16 residues pruned to eliminate duplicates Z: 9 3.224 1.596 0.512 0.206 0.625 0.250 CB 1.070 9 residues pruned to eliminate duplicates Z: 20 11.923 1.955 0.612 0.255 0.842 0.368 CB 1.365 20 residues pruned to eliminate duplicates Z: 11 14.211 1.902 0.346 0.599 1.000 0.400 CA 1.598 18 residues pruned to eliminate duplicates Z: 13 9.989 1.747 0.314 0.553 0.917 0.333 N 1.301 13 residues pruned to eliminate duplicates Z: 31 13.942 1.841 0.374 0.387 0.767 0.400 CB 1.480 29 residues pruned to eliminate duplicates Z: 9 12.499 1.915 0.338 0.684 1.000 0.375 CA 1.457 9 residues pruned to eliminate duplicates Z: 27 20.914 1.991 0.457 0.548 0.885 0.462 CA 1.525 24 residues pruned to eliminate duplicates Z: 7 12.453 2.023 0.412 0.599 1.000 0.667 CA 1.619 7 residues pruned to eliminate duplicates Z: 17 8.100 1.907 0.277 0.353 0.750 0.375 CA 1.300 17 residues pruned to eliminate duplicates Z: 26 14.454 1.934 0.240 0.553 0.840 0.480 CA 1.363 26 residues pruned to eliminate duplicates Z: 23 14.508 1.928 0.372 0.404 0.909 0.364 CA 1.423 23 residues pruned to eliminate duplicates Z: 25 18.737 2.037 0.275 0.510 0.917 0.375 CA 1.591 25 residues pruned to eliminate duplicates Z: 12 20.983 2.071 0.472 0.754 1.000 0.636 N 1.655 12 residues pruned to eliminate duplicates Z: 17 14.896 2.027 0.549 0.466 0.812 0.312 CA 1.510 17 residues pruned to eliminate duplicates Z: 23 15.978 2.026 0.413 0.517 0.818 0.500 CA 1.431 23 residues pruned to eliminate duplicates Z: 25 18.298 2.036 0.501 0.481 0.792 0.333 CA 1.573 25 residues pruned to eliminate duplicates Z: 22 22.905 2.088 0.485 0.574 0.905 0.333 CB 1.659 22 residues pruned to eliminate duplicates Z: 9 21.625 2.059 0.737 0.871 0.875 0.500 CA 1.781 9 residues pruned to eliminate duplicates Z: 14 13.991 2.074 0.596 0.603 0.692 0.231 CB 1.535 14 residues pruned to eliminate duplicates Z: 21 19.840 2.083 0.461 0.543 0.850 0.350 CB 1.645 21 residues pruned to eliminate duplicates Z: 13 23.503 2.154 0.677 0.676 0.917 0.333 CB 1.743 13 residues pruned to eliminate duplicates Z: 10 18.735 2.100 0.750 0.704 0.889 0.222 CA 1.587 10 residues pruned to eliminate duplicates Z: 18 8.779 1.866 0.462 0.324 0.765 0.412 CB 1.238 18 residues pruned to eliminate duplicates Z: 19 12.622 2.062 0.586 0.439 0.722 0.611 CB 1.342 25 residues pruned to eliminate duplicates Z: 7 4.254 1.504 0.168 0.422 1.000 0.667 CA 1.073 7 residues pruned to eliminate duplicates Z: 18 13.337 1.991 0.423 0.452 0.882 0.588 CB 1.360 19 residues pruned to eliminate duplicates 556 residues left after pruning, divided into chains as follows: A: 8 B: 9 C: 16 D: 12 E: 13 F: 15 G: 8 H: 41 I: 51 J: 30 K: 88 L: 137 M: 16 N: 45 O: 11 P: 17 Q: 26 R: 13 CC for partial structure against native data = 19.54 % ------------------------------------------------------------------------------ Global autotracing cycle 30 = 0.300, Contrast = 0.409, Connect. = 0.681 for dens.mod. cycle 1 = 0.300, Contrast = 0.470, Connect. = 0.701 for dens.mod. cycle 2 = 0.300, Contrast = 0.544, Connect. = 0.736 for dens.mod. cycle 3 = 0.300, Contrast = 0.551, Connect. = 0.741 for dens.mod. cycle 4 = 0.300, Contrast = 0.559, Connect. = 0.746 for dens.mod. cycle 5 = 0.300, Contrast = 0.564, Connect. = 0.749 for dens.mod. cycle 6 = 0.300, Contrast = 0.568, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.570, Connect. = 0.755 for dens.mod. cycle 8 = 0.300, Contrast = 0.572, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.573, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6859 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1223 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 9 12.698 2.024 0.280 0.874 0.875 0.875 CA 1.441 B: 9 10.653 2.095 0.362 0.827 0.750 0.625 CA 1.326 8 residues pruned to eliminate duplicates C: 9 13.601 2.167 0.475 0.834 0.750 0.500 CA 1.503 9 residues pruned to eliminate duplicates D: 22 36.306 2.188 0.569 0.903 1.000 0.905 CA 1.645 E: 29 16.609 1.985 0.373 0.351 0.821 0.357 N 1.648 F: 22 37.110 2.137 0.605 0.906 1.000 0.857 CA 1.680 22 residues pruned to eliminate duplicates G: 12 21.181 2.023 0.870 0.778 0.909 0.455 CA 1.452 H: 12 20.623 1.961 0.830 0.869 0.909 0.727 CA 1.393 12 residues pruned to eliminate duplicates I: 19 23.165 2.123 0.608 0.883 0.944 0.778 CA 1.224 19 residues pruned to eliminate duplicates J: 20 22.301 2.020 0.388 0.842 0.947 0.737 CB 1.435 K: 9 13.455 1.936 0.286 0.663 1.000 0.375 N 1.644 11 residues pruned to eliminate duplicates L: 14 9.960 2.112 0.391 0.352 0.846 0.385 CA 1.304 M: 15 20.170 2.102 0.483 0.872 0.857 0.786 CB 1.470 15 residues pruned to eliminate duplicates N: 107 53.377 2.163 0.530 0.548 0.925 0.528 CA 1.617 56 residues pruned to eliminate duplicates O: 20 20.327 2.046 0.234 0.829 1.000 0.789 CB 1.389 20 residues pruned to eliminate duplicates P: 21 30.143 2.230 0.649 0.897 0.900 0.800 CA 1.458 21 residues pruned to eliminate duplicates Q: 14 14.051 1.900 0.594 0.793 0.769 0.462 CA 1.294 R: 21 42.567 2.287 0.746 0.909 1.000 0.800 CA 1.691 21 residues pruned to eliminate duplicates S: 11 17.563 2.036 0.563 0.844 0.900 0.400 CB 1.442 11 residues pruned to eliminate duplicates T: 52 25.164 2.071 0.497 0.507 0.784 0.412 CB 1.440 29 residues pruned to eliminate duplicates U: 31 29.621 2.044 0.586 0.609 0.933 0.700 CB 1.613 V: 21 29.270 2.149 0.471 0.858 1.000 0.650 CB 1.525 21 residues pruned to eliminate duplicates W: 24 16.997 2.067 0.414 0.417 1.000 0.609 CA 1.323 X: 11 22.020 1.955 0.722 0.898 1.000 0.700 CB 1.480 8 residues pruned to eliminate duplicates Y: 20 41.455 2.256 0.946 0.875 0.895 0.526 CA 1.760 20 residues pruned to eliminate duplicates Z: 20 31.190 2.085 0.392 0.921 1.000 0.789 CB 1.736 17 residues pruned to eliminate duplicates Z: 10 18.584 2.063 0.537 0.880 0.889 0.556 CA 1.593 10 residues pruned to eliminate duplicates Z: 20 15.156 2.215 0.445 0.333 0.895 0.684 CA 1.458 20 residues pruned to eliminate duplicates Z: 11 8.057 1.955 0.308 0.384 0.800 0.600 CB 1.409 Z: 12 14.818 1.718 0.447 0.833 1.000 0.818 CA 1.348 Z: 28 30.323 2.120 0.602 0.646 0.889 0.667 CB 1.687 28 residues pruned to eliminate duplicates Z: 20 19.292 2.025 0.308 0.863 0.895 0.842 CB 1.371 20 residues pruned to eliminate duplicates Z: 11 5.677 1.745 0.282 0.343 0.800 0.300 N 1.191 Z: 14 17.674 1.980 0.632 0.841 0.846 0.538 CB 1.337 14 residues pruned to eliminate duplicates Z: 22 46.580 2.242 0.862 0.920 1.000 0.667 CA 1.714 22 residues pruned to eliminate duplicates Z: 11 11.402 1.963 0.661 0.520 1.000 0.800 CB 1.084 Z: 17 27.215 2.202 0.424 0.868 0.938 0.625 CA 1.693 17 residues pruned to eliminate duplicates Z: 11 14.591 1.969 0.463 0.843 0.900 0.300 CA 1.325 11 residues pruned to eliminate duplicates Z: 9 6.319 1.857 0.220 0.450 0.750 0.250 N 1.384 9 residues pruned to eliminate duplicates Z: 7 7.902 1.652 0.542 0.526 1.000 0.833 CB 1.234 Z: 22 36.692 2.088 0.668 0.885 0.952 0.714 CA 1.743 22 residues pruned to eliminate duplicates Z: 21 24.080 1.966 0.474 0.852 0.950 0.650 CB 1.447 21 residues pruned to eliminate duplicates Z: 22 27.102 2.047 0.349 0.890 1.000 0.905 CA 1.541 21 residues pruned to eliminate duplicates Z: 8 6.909 1.851 -0.174 0.661 1.000 0.571 CA 1.470 Z: 17 20.654 2.170 0.253 0.900 0.938 0.750 CA 1.447 17 residues pruned to eliminate duplicates Z: 22 41.182 2.249 0.785 0.888 0.952 0.714 CA 1.693 22 residues pruned to eliminate duplicates Z: 7 10.156 1.925 0.702 0.317 1.000 0.333 CB 1.550 7 residues pruned to eliminate duplicates Z: 12 2.450 1.517 0.425 0.207 0.545 0.455 N 0.887 Z: 19 27.250 1.967 0.559 0.862 0.944 0.778 CA 1.628 19 residues pruned to eliminate duplicates Z: 12 13.296 1.764 0.315 0.786 1.000 0.545 CA 1.344 12 residues pruned to eliminate duplicates Z: 12 18.683 1.979 0.707 0.876 0.909 0.727 CB 1.333 12 residues pruned to eliminate duplicates Z: 11 15.288 1.910 0.496 0.764 1.000 0.600 CA 1.339 11 residues pruned to eliminate duplicates Z: 21 34.041 2.043 0.818 0.883 0.950 0.600 CA 1.560 21 residues pruned to eliminate duplicates Z: 18 32.588 2.128 0.620 0.906 1.000 0.765 CB 1.631 18 residues pruned to eliminate duplicates Z: 21 53.165 2.329 0.974 0.924 1.000 0.800 CA 1.816 31 residues pruned to eliminate duplicates Z: 9 12.704 1.802 0.892 0.744 0.875 0.375 CA 1.211 9 residues pruned to eliminate duplicates Z: 16 11.932 1.880 0.542 0.438 0.733 0.600 N 1.544 Z: 28 14.682 1.965 0.262 0.391 0.815 0.407 CA 1.569 Z: 13 15.530 1.940 0.665 0.702 0.917 0.417 CB 1.259 13 residues pruned to eliminate duplicates Z: 7 9.246 1.953 0.447 0.643 1.000 0.833 CB 1.168 7 residues pruned to eliminate duplicates Z: 22 37.793 2.099 0.714 0.877 0.952 0.667 CA 1.748 22 residues pruned to eliminate duplicates Z: 10 11.068 2.152 0.170 0.503 0.889 0.667 CB 1.644 10 residues pruned to eliminate duplicates Z: 11 10.030 2.090 0.163 0.759 0.800 0.500 CB 1.296 11 residues pruned to eliminate duplicates Z: 79 37.406 2.056 0.535 0.545 0.872 0.513 CA 1.474 39 residues pruned to eliminate duplicates Z: 11 11.944 2.161 0.310 0.829 0.900 0.700 CB 1.116 11 residues pruned to eliminate duplicates Z: 7 3.598 1.722 0.255 0.386 0.667 0.333 CB 1.150 Z: 20 28.641 2.089 0.461 0.900 0.895 0.895 CA 1.718 20 residues pruned to eliminate duplicates Z: 9 9.819 2.011 0.546 0.464 0.875 0.375 CA 1.324 9 residues pruned to eliminate duplicates Z: 10 19.508 1.840 0.938 0.816 1.000 0.667 CA 1.385 11 residues pruned to eliminate duplicates Z: 21 21.136 1.912 0.472 0.855 1.000 0.700 CA 1.239 21 residues pruned to eliminate duplicates Z: 10 14.150 2.021 0.525 0.441 1.000 0.556 CB 1.625 11 residues pruned to eliminate duplicates Z: 23 17.126 2.081 0.495 0.480 0.864 0.318 CB 1.388 23 residues pruned to eliminate duplicates Z: 22 46.252 2.239 0.931 0.891 0.952 0.619 CB 1.761 22 residues pruned to eliminate duplicates Z: 18 22.291 1.850 0.524 0.878 0.941 0.706 CB 1.478 18 residues pruned to eliminate duplicates Z: 32 21.258 1.972 0.380 0.593 0.903 0.677 CA 1.421 32 residues pruned to eliminate duplicates Z: 7 3.607 1.820 0.285 0.240 0.833 0.333 CA 1.020 Z: 61 34.123 2.045 0.613 0.565 0.900 0.533 CA 1.393 61 residues pruned to eliminate duplicates Z: 10 14.875 1.816 0.595 0.828 1.000 0.778 CA 1.288 10 residues pruned to eliminate duplicates Z: 11 15.758 1.979 0.579 0.855 0.900 0.600 CB 1.307 11 residues pruned to eliminate duplicates Z: 7 3.081 1.754 0.570 0.238 0.667 0.500 CA 0.929 Z: 20 23.871 2.099 0.449 0.864 0.947 0.579 CA 1.393 20 residues pruned to eliminate duplicates Z: 21 31.366 2.038 0.575 0.898 1.000 0.800 CA 1.563 21 residues pruned to eliminate duplicates Z: 69 39.882 2.084 0.592 0.575 0.926 0.529 CA 1.464 69 residues pruned to eliminate duplicates Z: 9 17.014 2.173 0.564 0.900 0.875 0.750 CA 1.445 9 residues pruned to eliminate duplicates Z: 22 49.749 2.224 0.974 0.912 1.000 0.476 CA 1.752 22 residues pruned to eliminate duplicates Z: 6 10.209 1.916 0.815 0.830 1.000 0.800 CB 0.987 Z: 11 8.807 1.996 0.364 0.220 0.900 0.400 CA 1.578 11 residues pruned to eliminate duplicates Z: 20 26.462 2.013 0.632 0.835 0.895 0.579 CB 1.548 20 residues pruned to eliminate duplicates Z: 22 48.655 2.234 1.058 0.894 0.952 0.476 CA 1.739 22 residues pruned to eliminate duplicates Z: 20 20.918 2.019 0.422 0.826 0.895 0.474 CA 1.409 20 residues pruned to eliminate duplicates Z: 12 19.809 2.153 0.554 0.848 1.000 0.727 CB 1.324 12 residues pruned to eliminate duplicates Z: 18 21.726 2.028 0.385 0.885 1.000 0.824 CB 1.354 18 residues pruned to eliminate duplicates Z: 7 2.769 1.666 -0.114 0.479 0.667 0.333 CB 1.173 7 residues pruned to eliminate duplicates Z: 14 12.328 2.026 0.299 0.449 0.846 0.615 CA 1.617 Z: 16 12.556 1.954 0.357 0.434 0.867 0.400 CB 1.511 14 residues pruned to eliminate duplicates Z: 22 36.122 2.210 0.561 0.882 1.000 0.571 CA 1.654 22 residues pruned to eliminate duplicates Z: 14 10.618 1.938 0.420 0.594 0.923 0.538 CB 1.059 Z: 10 18.872 1.904 0.591 0.881 1.000 0.778 CB 1.504 10 residues pruned to eliminate duplicates Z: 29 13.874 1.983 0.249 0.288 0.821 0.321 CB 1.637 30 residues pruned to eliminate duplicates Z: 10 8.817 1.839 0.266 0.582 0.889 0.667 CB 1.313 Z: 67 40.111 2.085 0.546 0.607 0.939 0.561 CA 1.473 72 residues pruned to eliminate duplicates Z: 67 37.410 2.091 0.445 0.590 0.955 0.667 CA 1.465 67 residues pruned to eliminate duplicates Z: 11 8.117 1.788 0.302 0.516 0.900 0.800 CB 1.206 12 residues pruned to eliminate duplicates Z: 17 29.238 2.030 0.711 0.876 0.938 0.438 CA 1.631 17 residues pruned to eliminate duplicates Z: 12 10.897 1.974 0.350 0.501 0.909 0.545 CB 1.354 12 residues pruned to eliminate duplicates Z: 22 22.811 1.968 0.233 0.894 1.000 0.810 CA 1.472 22 residues pruned to eliminate duplicates Z: 23 29.488 2.026 0.405 0.882 1.000 0.682 CA 1.599 23 residues pruned to eliminate duplicates Z: 17 11.700 1.893 0.444 0.430 0.812 0.500 N 1.416 17 residues pruned to eliminate duplicates Z: 21 15.178 2.225 0.420 0.332 0.850 0.550 CA 1.519 21 residues pruned to eliminate duplicates Z: 54 41.689 2.159 0.669 0.574 0.943 0.434 CA 1.569 54 residues pruned to eliminate duplicates Z: 70 45.568 2.218 0.637 0.522 0.899 0.522 CB 1.645 60 residues pruned to eliminate duplicates Z: 18 24.852 2.085 0.407 0.881 0.941 0.882 CA 1.582 18 residues pruned to eliminate duplicates Z: 10 10.030 1.901 0.332 0.564 0.889 0.778 CB 1.395 10 residues pruned to eliminate duplicates Z: 23 28.058 1.963 0.548 0.895 0.955 0.864 CA 1.478 23 residues pruned to eliminate duplicates Z: 28 31.041 2.156 0.576 0.651 0.926 0.741 CA 1.649 27 residues pruned to eliminate duplicates Z: 10 4.503 1.849 -0.008 0.305 0.667 0.444 N 1.526 11 residues pruned to eliminate duplicates Z: 8 5.436 1.702 0.430 0.433 0.714 0.571 CB 1.266 Z: 33 16.900 1.969 0.236 0.491 0.812 0.562 N 1.525 33 residues pruned to eliminate duplicates Z: 6 8.471 1.742 1.090 0.577 1.000 0.600 CB 0.966 Z: 11 7.782 2.077 0.570 0.398 0.700 0.500 CA 1.201 11 residues pruned to eliminate duplicates Z: 9 8.252 1.912 0.548 0.318 0.875 0.375 CA 1.377 9 residues pruned to eliminate duplicates Z: 20 38.320 2.200 0.710 0.910 1.000 0.789 CA 1.658 20 residues pruned to eliminate duplicates Z: 16 8.678 1.905 0.111 0.416 0.933 0.600 CB 1.238 16 residues pruned to eliminate duplicates Z: 22 40.287 2.187 0.821 0.930 0.952 0.619 CB 1.621 22 residues pruned to eliminate duplicates Z: 10 9.845 1.978 0.241 0.484 0.889 0.444 CB 1.528 10 residues pruned to eliminate duplicates Z: 18 13.213 1.933 0.456 0.459 0.882 0.588 CB 1.346 18 residues pruned to eliminate duplicates Z: 19 14.525 1.985 0.366 0.464 0.889 0.500 CB 1.474 19 residues pruned to eliminate duplicates Z: 14 22.228 2.116 0.405 0.915 0.923 0.846 CA 1.589 14 residues pruned to eliminate duplicates Z: 44 19.693 1.984 0.450 0.445 0.767 0.465 CB 1.439 39 residues pruned to eliminate duplicates Z: 14 10.459 2.038 0.188 0.464 0.846 0.538 CB 1.469 Z: 16 10.852 1.853 0.405 0.408 1.000 0.733 CB 1.186 9 residues pruned to eliminate duplicates 7 1.793 1.585 0.018 0.238 0.667 0.333 CB 0.922 ? Z: 20 12.745 1.983 0.275 0.435 0.842 0.632 CA 1.469 7 residues pruned to eliminate duplicates Z: 21 53.676 2.318 1.072 0.898 1.000 0.450 CA 1.788 21 residues pruned to eliminate duplicates Z: 10 8.976 1.878 0.352 0.338 1.000 0.444 CB 1.406 Z: 31 36.999 2.210 0.730 0.651 0.900 0.533 CB 1.705 31 residues pruned to eliminate duplicates Z: 19 21.527 2.063 0.640 0.906 0.889 0.556 CA 1.200 19 residues pruned to eliminate duplicates Z: 11 8.319 1.898 0.245 0.459 1.000 0.700 CB 1.161 12 residues pruned to eliminate duplicates Z: 22 33.611 2.063 0.612 0.861 0.952 0.762 CA 1.702 22 residues pruned to eliminate duplicates Z: 18 32.518 2.127 0.854 0.903 1.000 0.353 CA 1.426 18 residues pruned to eliminate duplicates Z: 7 4.324 1.862 -0.223 0.667 0.667 0.500 CB 1.569 7 residues pruned to eliminate duplicates Z: 22 25.195 2.010 0.222 0.916 0.952 0.905 CA 1.660 22 residues pruned to eliminate duplicates Z: 16 10.673 1.964 0.343 0.326 0.867 0.467 CA 1.459 15 residues pruned to eliminate duplicates Z: 21 24.389 2.033 0.238 0.909 1.000 0.700 CA 1.538 21 residues pruned to eliminate duplicates Z: 15 8.634 2.028 0.219 0.505 0.786 0.571 CB 1.182 15 residues pruned to eliminate duplicates Z: 11 16.092 1.881 0.696 0.835 0.900 0.900 CA 1.328 11 residues pruned to eliminate duplicates 6 1.115 1.569 0.140 0.100 0.600 0.200 CA 0.774 ? Z: 12 14.842 2.011 0.482 0.860 0.818 0.545 CA 1.350 12 residues pruned to eliminate duplicates Z: 14 8.973 2.062 0.215 0.607 0.846 0.692 CB 1.060 14 residues pruned to eliminate duplicates Z: 20 13.253 2.020 0.158 0.453 0.895 0.526 CB 1.524 20 residues pruned to eliminate duplicates Z: 73 45.755 2.200 0.649 0.507 0.889 0.472 CA 1.660 73 residues pruned to eliminate duplicates Z: 8 4.903 1.655 0.187 0.324 0.857 0.286 CA 1.335 8 residues pruned to eliminate duplicates Z: 18 8.851 1.935 0.408 0.295 0.882 0.471 CA 1.124 16 residues pruned to eliminate duplicates Z: 25 22.792 2.091 0.122 0.696 0.958 0.750 CA 1.731 25 residues pruned to eliminate duplicates Z: 20 40.957 2.270 0.922 0.859 0.947 0.579 CA 1.673 20 residues pruned to eliminate duplicates Z: 46 42.479 2.162 0.717 0.630 0.933 0.600 CB 1.617 46 residues pruned to eliminate duplicates Z: 22 39.597 2.138 0.881 0.897 1.000 0.571 CA 1.538 22 residues pruned to eliminate duplicates Z: 17 5.762 1.812 0.142 0.257 0.750 0.375 CB 1.226 10 residues pruned to eliminate duplicates Z: 8 4.092 1.533 0.359 0.545 0.857 0.571 CB 0.829 Z: 9 13.038 1.920 0.457 0.869 0.875 0.750 CA 1.375 9 residues pruned to eliminate duplicates Z: 19 16.316 2.221 0.517 0.321 0.944 0.556 CA 1.473 19 residues pruned to eliminate duplicates Z: 7 6.534 1.297 0.662 0.699 1.000 0.833 O 1.033 7 residues pruned to eliminate duplicates Z: 12 15.911 1.685 0.782 0.816 0.909 0.727 CB 1.335 12 residues pruned to eliminate duplicates Z: 17 28.948 2.183 0.619 0.922 0.938 0.688 CB 1.535 17 residues pruned to eliminate duplicates Z: 12 7.976 1.917 0.117 0.778 0.909 0.545 CB 0.967 12 residues pruned to eliminate duplicates Z: 12 11.978 2.043 0.556 0.759 0.909 0.455 CB 0.993 12 residues pruned to eliminate duplicates Z: 6 3.623 1.807 0.021 0.559 0.600 0.600 CA 1.381 6 residues pruned to eliminate duplicates Z: 17 12.603 2.006 0.398 0.378 0.938 0.688 CA 1.365 17 residues pruned to eliminate duplicates Z: 26 14.172 2.028 0.337 0.395 0.880 0.600 CA 1.327 26 residues pruned to eliminate duplicates Z: 17 14.198 1.978 0.423 0.369 0.938 0.562 CB 1.548 17 residues pruned to eliminate duplicates Z: 27 12.656 1.882 0.262 0.382 0.885 0.500 CB 1.339 25 residues pruned to eliminate duplicates Z: 24 16.228 1.986 0.356 0.355 0.870 0.391 CA 1.689 24 residues pruned to eliminate duplicates Z: 8 7.280 1.799 -0.097 0.676 1.000 0.571 CA 1.440 8 residues pruned to eliminate duplicates Z: 11 17.878 1.742 0.839 0.794 1.000 0.600 CA 1.364 11 residues pruned to eliminate duplicates Z: 13 10.458 1.840 0.338 0.482 1.000 0.833 CB 1.248 15 residues pruned to eliminate duplicates Z: 9 14.868 2.022 0.680 0.604 1.000 0.875 CB 1.402 11 residues pruned to eliminate duplicates Z: 7 4.982 1.813 0.532 0.530 0.667 0.500 CA 1.067 7 residues pruned to eliminate duplicates Z: 6 3.959 1.619 0.065 0.464 0.800 0.600 O 1.331 8 residues pruned to eliminate duplicates Z: 17 12.246 2.003 0.275 0.469 0.938 0.438 CB 1.320 17 residues pruned to eliminate duplicates Z: 10 8.901 1.980 0.298 0.461 0.889 0.667 CB 1.352 10 residues pruned to eliminate duplicates Z: 9 8.089 1.813 0.473 0.432 0.875 0.625 N 1.313 10 residues pruned to eliminate duplicates Z: 31 32.725 2.121 0.683 0.606 0.967 0.533 CA 1.567 31 residues pruned to eliminate duplicates Z: 7 2.436 1.535 0.181 0.547 0.667 0.667 CB 0.786 7 residues pruned to eliminate duplicates Z: 12 6.120 1.821 0.540 0.356 0.727 0.455 CB 1.058 12 residues pruned to eliminate duplicates Z: 8 6.594 1.859 0.139 0.439 1.000 0.714 CA 1.253 8 residues pruned to eliminate duplicates Z: 19 12.230 1.864 0.327 0.388 0.889 0.556 CA 1.475 17 residues pruned to eliminate duplicates Z: 38 18.687 2.006 0.550 0.381 0.838 0.514 CA 1.338 43 residues pruned to eliminate duplicates Z: 23 19.753 2.049 0.428 0.551 1.000 0.545 CB 1.369 23 residues pruned to eliminate duplicates Z: 12 5.157 1.499 0.270 0.527 0.818 0.455 CB 0.972 8 residues pruned to eliminate duplicates Z: 20 20.344 2.058 0.229 0.864 0.947 0.737 CB 1.428 20 residues pruned to eliminate duplicates Z: 37 23.162 2.053 0.584 0.371 0.917 0.417 CB 1.487 37 residues pruned to eliminate duplicates Z: 15 10.496 1.858 0.148 0.347 1.000 0.357 CB 1.553 14 residues pruned to eliminate duplicates Z: 16 10.986 1.757 0.504 0.385 0.867 0.533 CB 1.399 13 residues pruned to eliminate duplicates Z: 9 8.213 1.760 0.374 0.476 0.875 0.625 CB 1.406 9 residues pruned to eliminate duplicates Z: 20 23.533 2.037 0.508 0.895 1.000 0.632 CA 1.260 20 residues pruned to eliminate duplicates Z: 18 17.363 2.086 0.016 0.887 1.000 0.941 CA 1.433 18 residues pruned to eliminate duplicates Z: 8 6.451 1.809 -0.046 0.646 1.000 0.857 N 1.233 8 residues pruned to eliminate duplicates Z: 22 45.599 2.273 0.897 0.899 0.952 0.571 CA 1.731 22 residues pruned to eliminate duplicates Z: 14 10.695 2.049 0.596 0.306 0.769 0.308 CB 1.462 13 residues pruned to eliminate duplicates Z: 10 6.522 1.863 0.192 0.431 0.889 0.667 CB 1.184 Z: 37 21.908 2.022 0.313 0.521 0.889 0.639 CA 1.516 37 residues pruned to eliminate duplicates Z: 11 5.983 1.758 0.334 0.329 0.800 0.500 N 1.216 Z: 7 4.486 1.628 0.621 0.757 1.000 0.833 CB 0.552 6 residues pruned to eliminate duplicates Z: 28 18.736 2.022 0.477 0.456 0.852 0.370 CA 1.482 28 residues pruned to eliminate duplicates Z: 18 24.181 2.175 0.561 0.882 0.824 0.647 CB 1.517 18 residues pruned to eliminate duplicates Z: 23 14.695 1.993 0.368 0.389 0.955 0.455 CA 1.354 23 residues pruned to eliminate duplicates Z: 18 31.783 2.103 0.728 0.912 0.941 0.471 CB 1.596 18 residues pruned to eliminate duplicates Z: 6 5.204 1.500 0.334 0.823 1.000 0.600 CA 0.879 6 residues pruned to eliminate duplicates Z: 21 12.960 1.874 0.406 0.438 0.900 0.550 CB 1.303 10 residues pruned to eliminate duplicates Z: 13 6.980 1.923 0.222 0.288 0.833 0.583 CB 1.305 13 residues pruned to eliminate duplicates Z: 12 9.785 2.010 0.508 0.438 0.818 0.636 CB 1.268 12 residues pruned to eliminate duplicates Z: 6 2.746 1.449 0.482 0.837 1.000 1.000 CB 0.428 Z: 8 6.356 1.796 0.381 0.716 0.857 0.571 CB 0.929 8 residues pruned to eliminate duplicates Z: 17 9.858 2.012 0.259 0.391 0.750 0.312 CB 1.456 17 residues pruned to eliminate duplicates Z: 6 12.065 2.320 0.185 0.792 1.000 0.800 CB 1.518 6 residues pruned to eliminate duplicates Z: 48 25.317 2.047 0.329 0.519 0.915 0.596 CB 1.456 48 residues pruned to eliminate duplicates Z: 7 4.435 1.468 0.718 0.385 0.667 0.333 CB 1.217 Z: 12 14.662 2.032 0.405 0.750 1.000 0.636 CB 1.239 18 residues pruned to eliminate duplicates Z: 6 4.814 1.831 0.208 0.671 1.000 0.800 CB 0.831 Z: 8 16.336 2.050 0.723 0.595 1.000 0.857 CB 1.597 Z: 20 22.392 1.860 0.629 0.868 0.842 0.579 N 1.472 20 residues pruned to eliminate duplicates Z: 6 3.292 1.821 0.425 0.400 0.800 0.600 CA 0.788 Z: 7 3.827 1.689 0.302 0.517 0.667 0.333 N 1.047 Z: 17 9.537 1.952 0.369 0.335 0.812 0.500 CB 1.315 17 residues pruned to eliminate duplicates Z: 44 30.070 2.014 0.760 0.549 0.884 0.419 CB 1.396 44 residues pruned to eliminate duplicates Z: 11 4.646 1.775 0.052 0.316 0.900 0.500 CB 1.072 11 residues pruned to eliminate duplicates Z: 8 5.006 1.782 0.183 0.441 0.857 0.571 CA 1.112 8 residues pruned to eliminate duplicates Z: 12 11.534 1.917 0.410 0.571 0.909 0.727 CB 1.321 12 residues pruned to eliminate duplicates Z: 14 10.604 1.928 0.107 0.516 0.923 0.462 CA 1.469 14 residues pruned to eliminate duplicates Z: 6 3.441 1.559 0.320 0.527 0.800 0.600 CB 0.910 7 1.950 1.509 0.063 0.360 0.667 0.667 CB 0.866 ? Z: 41 24.962 2.067 0.403 0.465 0.900 0.575 CB 1.568 41 residues pruned to eliminate duplicates Z: 10 5.183 1.621 0.587 0.350 0.667 0.556 CB 1.185 7 1.751 1.565 0.015 0.618 0.667 0.500 CB 0.604 ? Z: 30 26.855 1.965 0.583 0.719 0.931 0.655 CB 1.413 33 residues pruned to eliminate duplicates Z: 16 12.971 1.968 0.297 0.421 0.933 0.467 CB 1.526 16 residues pruned to eliminate duplicates Z: 12 23.845 2.026 0.859 0.874 1.000 0.636 CB 1.389 12 residues pruned to eliminate duplicates Z: 9 7.056 1.734 0.064 0.765 0.750 0.375 CB 1.426 Z: 8 4.484 1.695 0.102 0.504 0.857 0.429 CB 1.055 7 residues pruned to eliminate duplicates Z: 17 12.096 2.149 0.321 0.286 0.875 0.562 CA 1.548 17 residues pruned to eliminate duplicates Z: 7 2.671 1.401 -0.059 0.580 0.833 0.333 O 0.919 7 residues pruned to eliminate duplicates Z: 10 5.308 1.783 0.280 0.343 0.778 0.667 CB 1.182 11 residues pruned to eliminate duplicates Z: 15 7.044 1.588 0.686 0.367 0.786 0.214 CA 1.032 15 residues pruned to eliminate duplicates Z: 7 4.682 1.505 0.372 0.611 0.833 0.667 CB 0.999 Z: 19 11.035 1.903 0.514 0.417 0.889 0.556 CA 1.107 19 residues pruned to eliminate duplicates Z: 6 4.526 1.715 0.148 0.546 0.800 0.600 N 1.229 6 residues pruned to eliminate duplicates 6 1.494 1.563 0.082 0.730 0.600 0.600 CB 0.535 ? Z: 6 6.956 1.423 0.465 0.801 1.000 1.000 CA 1.147 Z: 10 5.649 1.673 0.610 0.526 0.778 0.667 CB 0.876 13 residues pruned to eliminate duplicates Z: 18 20.124 2.070 0.340 0.837 0.941 0.706 CA 1.398 18 residues pruned to eliminate duplicates Z: 8 5.033 1.793 -0.066 0.433 1.000 0.857 CB 1.217 Z: 7 7.257 1.908 0.160 0.557 0.833 0.667 N 1.520 7 residues pruned to eliminate duplicates Z: 6 2.652 1.599 0.432 0.296 0.600 0.600 CB 1.085 Z: 7 4.130 1.656 0.178 0.280 0.833 0.667 CA 1.330 5 residues pruned to eliminate duplicates Z: 19 13.697 1.988 0.435 0.395 1.000 0.556 CB 1.264 20 residues pruned to eliminate duplicates Z: 27 9.182 1.832 0.211 0.315 0.885 0.269 CB 1.125 27 residues pruned to eliminate duplicates Z: 26 10.521 1.941 0.351 0.483 0.680 0.320 CB 1.200 26 residues pruned to eliminate duplicates Z: 6 2.557 1.361 0.318 0.307 1.000 0.600 CB 0.790 Z: 58 34.306 2.038 0.673 0.553 0.930 0.439 CA 1.360 64 residues pruned to eliminate duplicates Z: 9 5.851 1.816 0.264 0.516 0.750 0.625 N 1.182 10 residues pruned to eliminate duplicates Z: 11 9.908 1.859 0.444 0.485 0.900 0.500 N 1.316 11 residues pruned to eliminate duplicates Z: 8 3.924 1.559 0.537 0.318 0.714 0.429 CB 1.059 Z: 10 5.091 1.464 0.122 0.580 0.889 0.333 C 1.076 Z: 19 17.448 2.065 0.298 0.897 0.944 0.778 CA 1.163 19 residues pruned to eliminate duplicates Z: 9 3.476 1.421 0.504 0.352 0.625 0.375 CA 1.080 7 residues pruned to eliminate duplicates Z: 7 6.263 1.752 0.647 0.507 0.833 0.667 CA 1.056 Z: 25 20.942 1.979 0.593 0.536 0.917 0.625 CB 1.428 25 residues pruned to eliminate duplicates Z: 42 20.138 1.977 0.488 0.417 0.878 0.439 CB 1.328 42 residues pruned to eliminate duplicates Z: 7 6.808 1.612 1.021 0.553 0.833 0.500 CB 0.972 6 0.757 1.566 -0.298 0.312 0.400 0.200 N 0.948 ? Z: 29 15.133 2.003 0.383 0.335 0.893 0.429 CA 1.385 29 residues pruned to eliminate duplicates Z: 18 18.123 1.971 0.728 0.841 0.941 0.647 CA 1.022 18 residues pruned to eliminate duplicates Z: 25 14.862 1.949 0.447 0.371 0.917 0.458 CA 1.347 25 residues pruned to eliminate duplicates Z: 6 8.784 1.377 1.230 0.792 1.000 0.800 C 0.991 6 residues pruned to eliminate duplicates Z: 22 37.195 2.144 0.898 0.852 0.905 0.381 CB 1.631 22 residues pruned to eliminate duplicates Z: 11 17.412 2.080 0.617 0.780 0.900 0.600 CA 1.421 11 residues pruned to eliminate duplicates Z: 6 3.775 1.746 -0.169 0.624 0.800 0.600 C 1.295 Z: 14 9.529 1.973 0.382 0.351 0.769 0.385 CA 1.480 14 residues pruned to eliminate duplicates Z: 7 6.694 1.642 0.276 0.703 0.833 0.333 C 1.301 Z: 130 49.641 2.147 0.455 0.506 0.868 0.442 CB 1.601 130 residues pruned to eliminate duplicates Z: 12 13.178 1.863 0.417 0.781 0.818 0.545 CA 1.436 12 residues pruned to eliminate duplicates Z: 21 45.624 2.289 1.050 0.905 0.850 0.400 CB 1.820 21 residues pruned to eliminate duplicates Z: 13 6.093 1.809 0.261 0.405 0.833 0.583 CB 1.022 13 residues pruned to eliminate duplicates Z: 11 13.415 1.885 0.424 0.507 1.000 0.500 CA 1.569 11 residues pruned to eliminate duplicates Z: 9 11.747 2.018 0.231 0.530 1.000 0.875 C 1.623 9 residues pruned to eliminate duplicates Z: 6 7.717 1.906 0.246 0.548 1.000 0.800 CA 1.387 6 residues pruned to eliminate duplicates Z: 71 39.015 2.119 0.555 0.533 0.914 0.457 CA 1.498 74 residues pruned to eliminate duplicates Z: 20 10.190 1.855 0.383 0.312 0.842 0.474 CB 1.334 20 residues pruned to eliminate duplicates Z: 10 5.734 1.675 0.545 0.460 0.889 0.444 CB 0.866 Z: 26 15.226 2.076 0.315 0.388 0.920 0.560 CA 1.365 24 residues pruned to eliminate duplicates Z: 8 6.941 1.489 0.314 0.700 1.000 0.714 N 1.117 14 residues pruned to eliminate duplicates Z: 6 3.813 1.860 0.433 0.480 0.600 0.600 CB 1.089 6 residues pruned to eliminate duplicates Z: 9 6.198 1.921 0.286 0.569 0.750 0.625 CB 1.107 9 residues pruned to eliminate duplicates Z: 6 4.681 1.909 0.001 0.603 0.800 0.800 CB 1.241 6 residues pruned to eliminate duplicates Z: 20 12.713 1.938 0.606 0.300 0.842 0.368 CA 1.391 20 residues pruned to eliminate duplicates Z: 16 7.471 1.769 0.152 0.351 0.733 0.533 CB 1.515 16 residues pruned to eliminate duplicates Z: 13 7.956 1.831 0.302 0.379 0.833 0.417 CB 1.316 13 residues pruned to eliminate duplicates Z: 11 5.692 1.596 0.066 0.484 0.900 0.600 CB 1.194 9 residues pruned to eliminate duplicates Z: 7 2.800 1.373 0.422 0.416 0.667 0.333 N 0.959 Z: 6 4.687 1.853 -0.224 0.707 1.000 1.000 CB 1.208 6 residues pruned to eliminate duplicates Z: 17 13.196 2.037 0.428 0.293 0.938 0.500 CB 1.525 17 residues pruned to eliminate duplicates Z: 20 22.019 1.944 0.798 0.882 0.947 0.684 CA 1.104 20 residues pruned to eliminate duplicates Z: 6 5.055 1.314 0.333 0.640 1.000 0.400 O 1.133 Z: 28 15.792 1.837 0.454 0.446 0.926 0.481 CB 1.300 28 residues pruned to eliminate duplicates Z: 8 7.412 1.992 0.640 0.382 0.714 0.286 CB 1.362 8 residues pruned to eliminate duplicates Z: 6 8.075 1.666 0.569 0.648 1.000 0.600 CA 1.203 6 residues pruned to eliminate duplicates Z: 8 5.345 1.870 0.298 0.444 0.714 0.571 CA 1.234 8 residues pruned to eliminate duplicates Z: 20 16.574 2.119 0.493 0.351 0.895 0.526 CA 1.580 20 residues pruned to eliminate duplicates Z: 13 9.094 1.909 0.425 0.324 0.917 0.500 CB 1.278 13 residues pruned to eliminate duplicates Z: 13 3.901 1.582 0.140 0.362 0.667 0.417 CA 1.087 13 residues pruned to eliminate duplicates Z: 23 19.337 1.976 0.543 0.730 1.000 0.591 CA 1.100 23 residues pruned to eliminate duplicates Z: 15 15.214 1.889 0.362 0.838 0.929 0.500 CA 1.272 15 residues pruned to eliminate duplicates Z: 13 8.185 1.880 0.440 0.401 0.667 0.417 CB 1.453 13 residues pruned to eliminate duplicates Z: 9 3.950 1.510 0.150 0.439 0.750 0.625 CB 1.142 Z: 17 9.565 1.816 0.239 0.483 0.938 0.562 CA 1.153 17 residues pruned to eliminate duplicates Z: 19 11.055 1.981 0.324 0.446 0.889 0.500 CA 1.181 19 residues pruned to eliminate duplicates Z: 8 7.905 1.924 0.484 0.640 0.857 0.571 CB 1.071 Z: 10 6.614 1.954 0.272 0.317 0.889 0.556 CA 1.221 10 residues pruned to eliminate duplicates Z: 6 3.521 1.594 0.163 0.608 0.800 0.800 CB 0.958 Z: 30 15.419 1.917 0.181 0.385 0.897 0.483 CA 1.594 28 residues pruned to eliminate duplicates Z: 7 2.799 1.541 0.282 0.322 0.667 0.500 CB 1.056 Z: 7 3.828 1.535 0.433 0.496 0.833 0.500 CB 0.856 Z: 6 3.036 1.378 0.206 0.601 1.000 0.800 O 0.742 6 residues pruned to eliminate duplicates 6 0.639 1.187 0.307 0.283 0.400 0.400 C 0.588 ? Z: 16 23.152 2.198 0.606 0.894 0.933 0.800 CA 1.301 16 residues pruned to eliminate duplicates Z: 6 4.091 1.518 0.759 0.486 0.800 0.600 C 0.868 Z: 6 5.275 1.558 0.170 0.575 1.000 0.600 CA 1.204 6 1.841 1.451 0.166 0.405 0.800 0.800 CB 0.672 ? Z: 24 17.064 2.001 0.463 0.435 0.913 0.565 CA 1.423 24 residues pruned to eliminate duplicates Z: 6 3.339 1.663 0.208 0.632 0.600 0.600 N 1.095 Z: 18 14.393 1.963 0.372 0.563 0.941 0.706 CA 1.295 18 residues pruned to eliminate duplicates Z: 26 17.260 2.035 0.434 0.474 0.880 0.600 CA 1.379 26 residues pruned to eliminate duplicates Z: 10 10.071 2.003 0.202 0.434 1.000 0.667 CB 1.494 10 residues pruned to eliminate duplicates Z: 8 6.461 1.787 0.317 0.340 0.857 0.571 CB 1.442 Z: 16 6.718 1.605 0.442 0.292 0.867 0.333 CA 1.093 16 residues pruned to eliminate duplicates Z: 20 21.319 2.118 0.597 0.459 0.947 0.579 CA 1.592 20 residues pruned to eliminate duplicates Z: 7 3.401 1.898 0.192 0.257 0.667 0.333 CA 1.216 7 residues pruned to eliminate duplicates Z: 11 7.993 1.824 0.700 0.516 0.800 0.700 CB 1.003 9 residues pruned to eliminate duplicates Z: 8 12.889 1.921 0.726 0.692 1.000 0.857 CB 1.233 8 residues pruned to eliminate duplicates Z: 8 2.527 1.581 0.189 0.392 0.714 0.571 CB 0.797 Z: 8 3.884 1.711 0.287 0.601 1.000 0.429 CB 0.606 8 residues pruned to eliminate duplicates Z: 28 14.376 1.936 0.322 0.387 0.889 0.556 CB 1.371 29 residues pruned to eliminate duplicates Z: 7 6.447 1.558 0.063 0.687 1.000 0.833 O 1.339 6 residues pruned to eliminate duplicates Z: 6 3.043 1.691 -0.177 0.614 0.800 0.800 C 1.098 6 residues pruned to eliminate duplicates Z: 9 19.816 1.835 0.838 0.829 1.000 0.625 CA 1.563 10 residues pruned to eliminate duplicates Z: 18 11.566 1.995 0.474 0.468 0.882 0.588 CA 1.116 18 residues pruned to eliminate duplicates Z: 9 4.206 1.467 0.537 0.305 0.875 0.500 CB 0.936 Z: 8 5.044 1.680 -0.012 0.520 0.857 0.571 N 1.314 8 residues pruned to eliminate duplicates Z: 8 4.735 1.800 0.064 0.419 0.857 0.714 CA 1.186 8 residues pruned to eliminate duplicates Z: 6 6.627 1.806 0.416 0.830 1.000 1.000 CB 0.871 6 residues pruned to eliminate duplicates Z: 8 3.593 1.749 0.143 0.298 1.000 0.571 CB 0.851 8 residues pruned to eliminate duplicates Z: 69 44.223 2.222 0.523 0.538 0.926 0.544 CB 1.648 69 residues pruned to eliminate duplicates Z: 28 18.608 2.034 0.407 0.608 0.778 0.481 CB 1.452 28 residues pruned to eliminate duplicates Z: 6 2.543 1.292 0.509 0.356 0.800 0.600 CB 0.852 Z: 10 3.203 1.693 0.221 0.381 0.778 0.556 CB 0.754 10 residues pruned to eliminate duplicates Z: 18 22.937 2.058 0.286 0.854 1.000 0.706 CB 1.552 18 residues pruned to eliminate duplicates Z: 6 4.290 1.238 0.921 0.668 0.800 0.400 N 0.864 6 residues pruned to eliminate duplicates Z: 10 3.324 1.576 0.448 0.191 0.778 0.222 CB 0.902 8 residues pruned to eliminate duplicates Z: 6 2.565 1.750 -0.142 0.536 0.800 0.400 CB 0.921 Z: 10 4.633 1.632 0.388 0.321 0.667 0.556 N 1.245 12 residues pruned to eliminate duplicates Z: 25 14.216 2.056 0.368 0.337 0.833 0.375 CB 1.478 25 residues pruned to eliminate duplicates Z: 16 28.443 2.053 0.799 0.845 0.933 0.467 CA 1.585 16 residues pruned to eliminate duplicates Z: 13 10.942 2.037 0.259 0.421 0.917 0.583 CA 1.460 13 residues pruned to eliminate duplicates Z: 8 3.544 1.491 0.533 0.483 0.857 0.429 CB 0.695 Z: 17 8.564 1.697 0.315 0.384 0.875 0.438 CB 1.241 17 residues pruned to eliminate duplicates Z: 20 33.001 2.081 0.689 0.880 1.000 0.842 CA 1.561 20 residues pruned to eliminate duplicates Z: 11 6.638 1.893 0.436 0.413 0.700 0.600 CB 1.209 9 residues pruned to eliminate duplicates Z: 7 2.277 1.699 -0.191 0.654 1.000 0.667 CB 0.586 Z: 7 2.180 1.588 0.051 0.240 0.667 0.333 O 1.082 Z: 9 11.304 2.093 0.366 0.481 0.875 0.500 CA 1.628 9 residues pruned to eliminate duplicates Z: 6 2.559 1.475 0.207 0.627 0.800 0.400 CB 0.713 Z: 6 3.281 1.410 0.162 0.352 1.000 0.600 CB 1.051 Z: 19 8.739 1.650 0.295 0.358 0.833 0.500 CA 1.349 19 residues pruned to eliminate duplicates Z: 52 21.524 1.926 0.482 0.427 0.824 0.431 CB 1.384 52 residues pruned to eliminate duplicates Z: 22 33.481 2.055 0.600 0.892 1.000 0.810 CA 1.596 22 residues pruned to eliminate duplicates Z: 10 3.933 1.656 0.239 0.379 0.778 0.667 CB 0.934 10 residues pruned to eliminate duplicates Z: 9 6.627 1.976 -0.067 0.816 0.750 0.625 CB 1.288 9 residues pruned to eliminate duplicates Z: 13 8.417 1.661 0.355 0.445 1.000 0.583 CB 1.143 13 residues pruned to eliminate duplicates Z: 18 11.823 2.002 0.316 0.385 0.824 0.647 CA 1.494 18 residues pruned to eliminate duplicates Z: 28 29.630 2.079 0.600 0.650 0.926 0.667 CA 1.610 28 residues pruned to eliminate duplicates Z: 6 4.086 1.549 0.199 0.577 0.800 0.800 CB 1.143 Z: 16 11.852 2.048 0.170 0.408 1.000 0.667 CB 1.407 16 residues pruned to eliminate duplicates Z: 9 4.296 1.672 0.159 0.445 0.750 0.500 CB 1.106 9 residues pruned to eliminate duplicates Z: 28 18.089 2.089 0.394 0.392 0.926 0.370 CA 1.447 28 residues pruned to eliminate duplicates Z: 7 2.004 1.468 -0.049 0.356 0.833 0.333 N 0.822 7 residues pruned to eliminate duplicates Z: 17 14.215 1.885 0.499 0.883 0.938 0.688 CA 0.970 17 residues pruned to eliminate duplicates Z: 19 6.552 1.867 0.205 0.318 0.722 0.444 CB 1.162 19 residues pruned to eliminate duplicates 6 1.830 1.564 -0.263 0.265 0.800 0.600 CB 1.160 ? Z: 23 26.041 1.892 0.602 0.848 1.000 0.727 CA 1.359 23 residues pruned to eliminate duplicates Z: 13 8.501 1.795 0.284 0.412 0.833 0.583 CB 1.401 13 residues pruned to eliminate duplicates Z: 35 22.246 2.056 0.281 0.632 0.824 0.500 CA 1.555 35 residues pruned to eliminate duplicates Z: 38 20.117 2.004 0.317 0.379 0.919 0.568 CA 1.552 38 residues pruned to eliminate duplicates Z: 8 2.780 1.449 0.395 0.349 0.571 0.429 N 1.071 Z: 6 2.700 1.484 0.337 0.486 0.800 0.800 CB 0.772 6 1.815 1.631 0.749 0.301 0.600 0.400 CB 0.592 ? Z: 10 10.494 1.714 0.384 0.763 1.000 0.778 CB 1.168 10 residues pruned to eliminate duplicates Z: 16 8.215 1.929 0.121 0.348 0.867 0.533 CB 1.334 16 residues pruned to eliminate duplicates Z: 6 2.922 1.476 0.267 0.427 0.800 0.400 C 0.942 Z: 22 9.972 1.906 0.243 0.417 0.857 0.333 CB 1.169 22 residues pruned to eliminate duplicates Z: 7 3.084 1.569 0.522 0.326 0.667 0.500 CB 0.957 Z: 7 3.026 1.628 0.343 0.525 0.667 0.500 CB 0.827 7 residues pruned to eliminate duplicates Z: 7 3.393 1.234 0.471 0.492 0.833 0.500 O 0.923 Z: 9 6.517 1.716 0.397 0.404 0.875 0.500 CA 1.216 8 residues pruned to eliminate duplicates Z: 6 2.636 1.140 0.187 0.550 1.000 0.800 C 0.829 Z: 12 9.077 2.030 0.277 0.467 0.909 0.545 CB 1.201 12 residues pruned to eliminate duplicates Z: 6 10.841 1.891 0.609 0.724 1.000 0.800 CA 1.301 Z: 15 9.126 1.782 0.381 0.373 0.929 0.571 CB 1.223 15 residues pruned to eliminate duplicates Z: 17 13.886 1.829 0.529 0.449 0.875 0.500 CB 1.494 16 residues pruned to eliminate duplicates Z: 6 4.725 1.347 0.444 0.723 1.000 0.600 CB 0.888 Z: 12 5.693 1.667 0.120 0.377 0.909 0.636 CB 1.154 11 residues pruned to eliminate duplicates Z: 11 3.233 1.665 0.487 0.183 0.600 0.400 N 1.009 11 residues pruned to eliminate duplicates Z: 26 19.047 2.185 0.491 0.318 0.920 0.520 CA 1.555 26 residues pruned to eliminate duplicates Z: 18 13.327 1.945 0.376 0.514 0.941 0.471 CB 1.265 20 residues pruned to eliminate duplicates Z: 6 3.592 1.156 0.635 0.597 0.800 0.800 CA 0.968 Z: 8 5.169 1.252 0.739 0.744 1.000 0.571 CB 0.721 Z: 13 8.665 1.970 0.466 0.376 0.833 0.583 CB 1.186 13 residues pruned to eliminate duplicates Z: 18 13.025 1.906 0.439 0.389 0.882 0.529 CB 1.469 18 residues pruned to eliminate duplicates Z: 6 5.016 1.607 0.058 0.572 1.000 0.800 CA 1.231 6 residues pruned to eliminate duplicates 6 0.940 1.195 0.427 0.294 0.600 0.600 N 0.518 ? Z: 6 5.288 1.697 0.260 0.438 1.000 0.600 CB 1.178 6 residues pruned to eliminate duplicates 7 1.417 1.230 0.007 0.242 0.667 0.333 C 0.944 ? Z: 21 11.921 1.857 0.452 0.356 0.950 0.550 CB 1.216 21 residues pruned to eliminate duplicates Z: 12 5.498 1.556 0.518 0.284 0.818 0.545 CB 1.094 12 residues pruned to eliminate duplicates Z: 13 6.995 1.836 0.188 0.428 0.833 0.667 CB 1.197 13 residues pruned to eliminate duplicates Z: 6 2.576 1.314 0.286 0.211 1.000 0.600 CA 0.959 Z: 13 10.012 1.826 0.584 0.506 0.833 0.750 CB 1.192 11 residues pruned to eliminate duplicates Z: 7 7.896 1.982 0.547 0.462 0.833 0.667 CB 1.311 7 residues pruned to eliminate duplicates Z: 6 8.771 1.619 1.097 0.656 0.800 0.800 C 1.249 6 residues pruned to eliminate duplicates Z: 13 4.916 1.649 0.492 0.129 0.750 0.333 C 1.223 13 residues pruned to eliminate duplicates Z: 6 4.703 1.544 0.155 0.848 1.000 1.000 CA 0.875 6 residues pruned to eliminate duplicates Z: 12 6.496 1.546 0.426 0.360 0.909 0.727 CB 1.136 12 residues pruned to eliminate duplicates 6 1.080 1.631 -0.124 0.434 1.000 0.800 CB 0.362 ? Z: 6 2.293 1.484 0.513 0.292 0.600 0.600 C 0.961 Z: 17 10.959 1.907 0.336 0.466 0.875 0.562 CA 1.273 17 residues pruned to eliminate duplicates Z: 6 2.664 1.459 0.528 0.447 0.600 0.600 CA 0.941 Z: 28 18.444 2.033 0.459 0.373 0.963 0.593 CA 1.424 28 residues pruned to eliminate duplicates Z: 7 4.404 1.632 0.229 0.352 0.833 0.667 CB 1.262 Z: 16 8.986 2.018 0.421 0.282 0.667 0.400 CB 1.552 16 residues pruned to eliminate duplicates Z: 20 19.186 2.011 0.395 0.843 0.895 0.842 CB 1.306 20 residues pruned to eliminate duplicates Z: 10 4.894 1.570 0.099 0.421 0.889 0.556 CA 1.156 10 residues pruned to eliminate duplicates Z: 25 19.189 1.993 0.492 0.488 0.875 0.667 CB 1.524 25 residues pruned to eliminate duplicates Z: 21 18.079 1.926 0.584 0.598 0.850 0.600 CB 1.421 21 residues pruned to eliminate duplicates Z: 8 2.736 1.674 -0.045 0.283 0.714 0.571 CB 1.156 Z: 19 21.988 2.032 0.563 0.604 0.944 0.444 N 1.564 19 residues pruned to eliminate duplicates Z: 11 5.954 1.816 0.165 0.495 0.900 0.900 CB 0.994 11 residues pruned to eliminate duplicates Z: 11 10.428 1.846 0.478 0.451 0.900 0.600 CA 1.412 11 residues pruned to eliminate duplicates Z: 21 9.701 1.853 0.115 0.314 0.850 0.500 CB 1.518 21 residues pruned to eliminate duplicates Z: 10 6.702 1.599 0.565 0.725 0.778 0.667 N 0.938 10 residues pruned to eliminate duplicates Z: 12 18.830 2.006 0.667 0.849 1.000 0.727 CA 1.259 12 residues pruned to eliminate duplicates Z: 12 5.747 1.440 0.338 0.470 0.727 0.364 CA 1.275 7 residues pruned to eliminate duplicates Z: 9 2.207 1.412 0.527 0.187 0.750 0.500 CB 0.702 7 1.095 1.755 0.267 0.083 0.333 0.333 CB 1.034 ? Z: 33 24.278 2.014 0.579 0.652 0.875 0.469 CA 1.339 33 residues pruned to eliminate duplicates Z: 7 3.125 1.581 0.417 0.412 0.833 0.667 CB 0.749 Z: 6 2.756 1.361 0.065 0.462 0.800 0.400 C 1.105 6 0.968 1.287 -0.086 0.297 0.800 0.600 CB 0.577 ? Z: 6 2.254 1.600 0.471 0.393 0.600 0.400 CB 0.799 6 residues pruned to eliminate duplicates Z: 8 2.422 1.434 0.585 0.200 0.714 0.286 CB 0.806 Z: 19 9.928 1.922 -0.021 0.310 0.944 0.444 CA 1.625 19 residues pruned to eliminate duplicates Z: 6 2.587 1.279 1.105 0.472 1.000 0.400 N 0.443 Z: 9 3.635 1.577 0.051 0.346 0.875 0.625 CB 1.048 Z: 11 2.316 1.322 0.512 0.162 0.500 0.300 CB 1.108 6 1.660 1.216 0.033 0.287 1.000 1.000 O 0.751 ? 7 1.190 1.394 0.048 0.358 0.833 0.667 CB 0.465 ? Z: 23 9.956 1.689 0.257 0.378 0.909 0.500 CB 1.253 23 residues pruned to eliminate duplicates Z: 13 3.429 1.395 0.666 0.299 0.667 0.333 N 0.799 Z: 18 22.371 2.172 0.604 0.585 0.882 0.588 CA 1.627 18 residues pruned to eliminate duplicates Z: 15 10.967 1.853 0.344 0.511 0.786 0.500 CB 1.481 15 residues pruned to eliminate duplicates Z: 28 15.267 1.926 0.375 0.457 0.815 0.444 CB 1.422 28 residues pruned to eliminate duplicates Z: 7 5.908 1.722 0.318 0.447 0.833 0.667 CA 1.347 7 residues pruned to eliminate duplicates Z: 26 13.626 1.882 0.234 0.429 0.840 0.480 N 1.504 26 residues pruned to eliminate duplicates Z: 11 3.751 1.633 -0.020 0.415 0.900 0.600 CB 0.901 11 residues pruned to eliminate duplicates Z: 14 14.474 1.960 0.540 0.572 0.923 0.692 CB 1.344 14 residues pruned to eliminate duplicates Z: 6 2.819 1.024 0.604 0.655 1.000 0.600 N 0.665 Using tripeptides from previous cycle as seeds Z: 6 3.017 2.045 0.261 0.225 0.600 0.400 CB 1.203 6 residues pruned to eliminate duplicates Z: 12 9.686 1.840 0.405 0.459 0.909 0.455 CB 1.297 15 residues pruned to eliminate duplicates Z: 54 24.246 2.067 0.344 0.421 0.868 0.566 CB 1.499 54 residues pruned to eliminate duplicates Z: 12 6.424 1.797 0.450 0.472 0.818 0.727 CB 0.934 12 residues pruned to eliminate duplicates Z: 11 6.939 1.736 0.554 0.396 0.800 0.500 CB 1.135 11 residues pruned to eliminate duplicates Z: 11 9.664 1.796 0.528 0.471 0.800 0.600 CB 1.434 11 residues pruned to eliminate duplicates Z: 11 7.626 1.825 0.309 0.388 0.800 0.200 N 1.422 12 residues pruned to eliminate duplicates Z: 7 6.006 1.643 0.672 0.424 0.833 0.500 CA 1.160 7 residues pruned to eliminate duplicates Z: 16 14.092 2.009 0.460 0.325 0.933 0.333 CA 1.611 16 residues pruned to eliminate duplicates Z: 15 12.209 1.898 0.606 0.365 0.857 0.500 CA 1.444 15 residues pruned to eliminate duplicates Z: 17 10.417 1.903 0.231 0.280 0.938 0.375 CB 1.520 17 residues pruned to eliminate duplicates Z: 19 11.569 1.990 0.241 0.244 0.944 0.333 CA 1.571 19 residues pruned to eliminate duplicates Z: 16 11.913 1.995 0.320 0.328 0.933 0.467 CA 1.512 16 residues pruned to eliminate duplicates Z: 15 13.299 1.942 0.409 0.421 0.857 0.500 CB 1.646 15 residues pruned to eliminate duplicates Z: 15 11.809 1.915 0.488 0.411 0.857 0.429 CA 1.419 15 residues pruned to eliminate duplicates Z: 19 13.110 1.908 0.452 0.379 0.833 0.444 CB 1.523 19 residues pruned to eliminate duplicates Z: 19 12.078 1.925 0.312 0.327 0.889 0.444 CA 1.533 19 residues pruned to eliminate duplicates Z: 18 13.143 1.982 0.275 0.333 0.941 0.471 CA 1.608 18 residues pruned to eliminate duplicates Z: 20 12.427 1.867 0.323 0.390 0.842 0.421 CB 1.539 20 residues pruned to eliminate duplicates 6 1.905 1.969 0.238 0.123 0.600 0.400 CB 0.935 ? Z: 7 10.402 1.957 0.619 0.596 1.000 0.333 CB 1.223 5 residues pruned to eliminate duplicates Z: 6 2.584 1.469 0.283 0.232 0.800 0.600 CA 1.048 6 residues pruned to eliminate duplicates Z: 18 7.361 1.773 0.480 0.214 0.765 0.471 CB 1.247 18 residues pruned to eliminate duplicates Z: 15 8.745 1.920 0.202 0.286 0.929 0.500 CB 1.388 15 residues pruned to eliminate duplicates Z: 13 10.417 1.924 0.346 0.307 0.917 0.500 N 1.570 13 residues pruned to eliminate duplicates Z: 9 18.081 2.239 0.532 0.560 1.000 0.625 CA 1.758 9 residues pruned to eliminate duplicates Z: 6 3.889 1.734 0.562 0.328 0.800 0.600 CA 0.970 6 residues pruned to eliminate duplicates Z: 19 17.380 2.075 0.476 0.475 0.944 0.500 CB 1.452 19 residues pruned to eliminate duplicates Z: 6 5.088 1.797 0.267 0.252 1.000 0.400 N 1.329 6 residues pruned to eliminate duplicates Z: 9 14.291 2.212 0.250 0.525 1.000 0.625 CA 1.782 9 residues pruned to eliminate duplicates Z: 10 12.311 2.057 0.154 0.538 1.000 0.667 CA 1.667 10 residues pruned to eliminate duplicates Z: 11 10.251 2.008 0.440 0.383 0.900 0.400 CB 1.409 11 residues pruned to eliminate duplicates Z: 23 10.359 1.831 0.218 0.453 0.955 0.364 CB 1.088 23 residues pruned to eliminate duplicates Z: 13 5.395 1.765 -0.028 0.466 0.917 0.500 CB 1.025 9 residues pruned to eliminate duplicates Z: 7 8.338 2.022 0.368 0.406 0.833 0.167 CB 1.630 13 residues pruned to eliminate duplicates Z: 10 6.090 1.772 0.453 0.494 0.889 0.222 CB 0.893 9 residues pruned to eliminate duplicates Z: 8 9.624 1.999 0.486 0.516 1.000 0.286 CB 1.205 9 residues pruned to eliminate duplicates Z: 8 9.317 2.011 0.300 0.548 1.000 0.429 CB 1.285 8 residues pruned to eliminate duplicates Z: 6 6.212 2.029 0.376 0.564 0.800 0.600 CB 1.168 6 residues pruned to eliminate duplicates Z: 8 7.687 1.696 0.578 0.479 0.857 0.714 CB 1.293 7 residues pruned to eliminate duplicates Z: 6 10.491 1.823 0.731 0.477 1.000 1.000 CB 1.522 6 residues pruned to eliminate duplicates Z: 10 12.122 2.065 0.395 0.496 0.889 0.778 CB 1.584 11 residues pruned to eliminate duplicates Z: 7 7.085 1.654 0.608 0.480 1.000 0.833 CB 1.111 7 residues pruned to eliminate duplicates Z: 17 11.181 1.863 0.424 0.439 0.938 0.688 CB 1.196 17 residues pruned to eliminate duplicates Z: 13 12.532 1.917 0.460 0.457 1.000 0.750 CB 1.351 13 residues pruned to eliminate duplicates Z: 23 11.445 1.929 0.072 0.399 0.909 0.500 CB 1.443 23 residues pruned to eliminate duplicates Z: 15 9.343 1.898 0.130 0.400 1.000 0.643 CA 1.294 15 residues pruned to eliminate duplicates Z: 40 18.415 1.999 0.201 0.350 0.923 0.564 CA 1.566 40 residues pruned to eliminate duplicates Z: 14 8.989 1.902 0.146 0.412 1.000 0.615 CB 1.254 14 residues pruned to eliminate duplicates Z: 17 8.810 1.881 0.170 0.353 0.875 0.562 CB 1.341 17 residues pruned to eliminate duplicates Z: 32 13.743 1.904 0.163 0.331 0.871 0.387 CA 1.541 33 residues pruned to eliminate duplicates Z: 6 2.752 1.645 -0.167 0.349 1.000 0.600 CA 1.057 6 residues pruned to eliminate duplicates Z: 40 17.157 1.959 0.147 0.369 0.923 0.462 CB 1.525 40 residues pruned to eliminate duplicates Z: 21 15.388 1.966 0.315 0.391 0.900 0.500 N 1.660 21 residues pruned to eliminate duplicates Z: 26 14.295 1.965 0.355 0.286 0.840 0.360 CB 1.626 26 residues pruned to eliminate duplicates Z: 27 15.011 1.948 0.197 0.356 0.885 0.385 CA 1.667 27 residues pruned to eliminate duplicates Z: 28 16.305 1.966 0.202 0.339 0.963 0.444 CA 1.644 28 residues pruned to eliminate duplicates Z: 33 15.318 1.892 0.282 0.346 0.844 0.438 CB 1.564 33 residues pruned to eliminate duplicates Z: 31 16.333 1.958 0.328 0.349 0.900 0.500 CA 1.500 31 residues pruned to eliminate duplicates Z: 41 16.935 1.944 0.231 0.328 0.925 0.400 CB 1.461 41 residues pruned to eliminate duplicates Z: 6 3.168 1.803 0.105 0.429 0.800 0.200 N 0.957 6 residues pruned to eliminate duplicates Z: 42 18.179 1.972 0.226 0.340 0.927 0.415 CB 1.509 42 residues pruned to eliminate duplicates Z: 24 14.133 1.982 0.323 0.338 0.826 0.435 N 1.623 24 residues pruned to eliminate duplicates Z: 26 14.909 1.913 0.316 0.365 0.880 0.360 CA 1.556 25 residues pruned to eliminate duplicates Z: 6 2.806 1.481 0.544 0.317 0.600 0.200 O 1.120 6 residues pruned to eliminate duplicates Z: 29 11.077 1.943 0.170 0.286 0.786 0.321 CB 1.490 29 residues pruned to eliminate duplicates Z: 9 4.095 1.656 0.286 0.240 0.750 0.375 CB 1.224 9 residues pruned to eliminate duplicates 6 1.886 1.683 -0.189 0.205 0.800 0.600 CA 1.097 ? Z: 9 6.381 1.834 0.284 0.307 0.750 0.250 N 1.584 9 residues pruned to eliminate duplicates Z: 6 9.258 1.901 0.660 0.341 1.000 0.600 CA 1.560 6 residues pruned to eliminate duplicates Z: 29 16.635 2.020 0.493 0.362 0.893 0.357 CA 1.353 29 residues pruned to eliminate duplicates Z: 41 20.488 2.066 0.444 0.383 0.825 0.425 CA 1.490 41 residues pruned to eliminate duplicates Z: 20 14.208 2.028 0.517 0.318 0.895 0.526 CA 1.447 20 residues pruned to eliminate duplicates Z: 18 17.673 2.151 0.658 0.324 0.941 0.706 CA 1.550 18 residues pruned to eliminate duplicates Z: 44 19.038 2.002 0.346 0.400 0.837 0.535 CB 1.430 44 residues pruned to eliminate duplicates Z: 26 16.910 2.081 0.461 0.404 0.920 0.640 CA 1.338 26 residues pruned to eliminate duplicates Z: 26 19.203 2.120 0.448 0.406 0.960 0.520 CA 1.439 26 residues pruned to eliminate duplicates Z: 20 15.219 2.105 0.499 0.328 0.842 0.474 CA 1.587 20 residues pruned to eliminate duplicates Z: 39 24.651 2.106 0.511 0.437 0.868 0.579 CA 1.545 39 residues pruned to eliminate duplicates Z: 6 4.162 1.697 0.425 0.293 1.000 0.600 CA 0.971 6 residues pruned to eliminate duplicates Z: 40 24.574 2.094 0.522 0.434 0.897 0.615 CA 1.472 41 residues pruned to eliminate duplicates Z: 6 4.676 1.633 0.255 0.605 0.800 0.600 O 1.154 6 residues pruned to eliminate duplicates Z: 37 20.392 2.088 0.449 0.410 0.889 0.472 CA 1.389 37 residues pruned to eliminate duplicates Z: 7 2.589 1.746 0.261 0.261 0.667 0.333 CA 0.946 7 residues pruned to eliminate duplicates Z: 37 24.103 2.092 0.404 0.458 0.972 0.556 CA 1.469 37 residues pruned to eliminate duplicates Z: 27 14.508 1.919 0.313 0.486 0.885 0.654 CB 1.294 26 residues pruned to eliminate duplicates Z: 6 4.958 1.713 0.323 0.481 1.000 0.800 CA 0.997 6 residues pruned to eliminate duplicates Z: 12 17.571 2.180 0.578 0.642 1.000 0.636 CB 1.349 12 residues pruned to eliminate duplicates Z: 14 14.159 2.073 0.409 0.588 1.000 0.692 CB 1.236 14 residues pruned to eliminate duplicates Z: 13 15.867 2.083 0.542 0.610 0.917 0.667 CB 1.401 13 residues pruned to eliminate duplicates Z: 26 14.474 1.907 0.363 0.460 0.880 0.520 CB 1.318 26 residues pruned to eliminate duplicates Z: 40 20.125 2.096 0.369 0.396 0.846 0.513 CA 1.482 40 residues pruned to eliminate duplicates Z: 36 19.436 2.091 0.371 0.390 0.886 0.486 CA 1.453 36 residues pruned to eliminate duplicates Z: 12 4.044 1.800 0.309 0.113 0.727 0.182 CA 1.161 10 residues pruned to eliminate duplicates Z: 8 8.339 1.970 0.349 0.702 0.714 0.000 CA 1.382 8 residues pruned to eliminate duplicates Z: 14 6.160 1.859 0.279 0.349 0.769 0.308 CA 1.100 14 residues pruned to eliminate duplicates Z: 9 8.467 1.931 0.431 0.786 0.625 0.000 CB 1.348 9 residues pruned to eliminate duplicates Z: 8 4.859 1.920 0.337 0.586 0.714 0.000 CB 0.922 8 residues pruned to eliminate duplicates Z: 11 11.421 1.879 0.471 0.664 0.800 0.200 CB 1.403 11 residues pruned to eliminate duplicates Z: 7 9.369 2.071 0.342 0.789 0.667 0.167 CB 1.601 7 residues pruned to eliminate duplicates Z: 16 11.409 1.840 0.275 0.572 0.867 0.267 CB 1.351 16 residues pruned to eliminate duplicates Z: 10 7.647 1.917 0.415 0.742 0.556 0.111 CB 1.362 10 residues pruned to eliminate duplicates Z: 12 7.384 2.019 0.593 0.317 0.636 0.273 CA 1.332 12 residues pruned to eliminate duplicates Z: 29 15.952 1.962 0.446 0.316 0.821 0.357 CA 1.585 28 residues pruned to eliminate duplicates Z: 8 3.551 1.560 0.399 0.329 0.714 0.429 CA 1.039 8 residues pruned to eliminate duplicates Z: 29 16.413 1.991 0.440 0.314 0.857 0.357 CB 1.551 29 residues pruned to eliminate duplicates Z: 6 7.238 1.712 0.814 0.409 0.800 0.600 CA 1.433 6 residues pruned to eliminate duplicates Z: 29 16.136 1.993 0.514 0.301 0.821 0.321 CB 1.535 29 residues pruned to eliminate duplicates Z: 10 6.315 1.569 0.368 0.540 0.778 0.444 N 1.213 10 residues pruned to eliminate duplicates Z: 22 18.685 2.033 0.507 0.360 0.905 0.333 N 1.709 24 residues pruned to eliminate duplicates Z: 7 10.271 1.801 0.697 0.497 1.000 0.333 N 1.377 7 residues pruned to eliminate duplicates Z: 28 14.380 1.943 0.404 0.303 0.815 0.444 N 1.550 25 residues pruned to eliminate duplicates Z: 7 3.849 1.690 -0.013 0.350 1.000 0.500 CB 1.109 9 residues pruned to eliminate duplicates Z: 6 3.243 1.902 -0.095 0.268 0.800 0.200 CA 1.371 6 residues pruned to eliminate duplicates Z: 14 9.875 2.041 0.384 0.362 0.769 0.385 CA 1.461 14 residues pruned to eliminate duplicates Z: 27 14.029 1.923 0.462 0.399 0.846 0.462 CA 1.286 27 residues pruned to eliminate duplicates Z: 78 33.304 2.089 0.319 0.523 0.922 0.571 CA 1.460 78 residues pruned to eliminate duplicates Z: 26 15.255 2.073 0.269 0.420 0.840 0.440 CA 1.502 26 residues pruned to eliminate duplicates Z: 23 13.781 2.116 0.138 0.403 0.955 0.409 CA 1.415 23 residues pruned to eliminate duplicates Z: 24 13.311 2.008 0.292 0.378 0.826 0.348 CA 1.474 24 residues pruned to eliminate duplicates Z: 24 15.041 1.967 0.268 0.417 0.913 0.304 CA 1.502 24 residues pruned to eliminate duplicates Z: 24 13.437 1.868 0.517 0.458 0.783 0.348 CB 1.319 24 residues pruned to eliminate duplicates Z: 17 11.616 1.980 0.398 0.299 1.000 0.375 CB 1.314 17 residues pruned to eliminate duplicates Z: 21 18.767 2.057 0.387 0.463 1.000 0.450 CA 1.526 21 residues pruned to eliminate duplicates Z: 37 23.628 2.030 0.378 0.549 0.944 0.583 CA 1.421 37 residues pruned to eliminate duplicates Z: 25 15.966 2.078 0.347 0.418 0.875 0.625 CB 1.450 25 residues pruned to eliminate duplicates Z: 24 15.001 1.963 0.542 0.416 0.870 0.391 CA 1.297 24 residues pruned to eliminate duplicates Z: 6 2.999 1.397 0.744 0.474 0.800 0.800 CA 0.706 6 residues pruned to eliminate duplicates Z: 18 13.141 2.045 0.329 0.433 0.882 0.647 CA 1.424 18 residues pruned to eliminate duplicates Z: 28 15.523 2.016 0.350 0.377 0.852 0.593 CB 1.468 28 residues pruned to eliminate duplicates Z: 23 17.727 2.044 0.421 0.459 0.864 0.500 CA 1.570 23 residues pruned to eliminate duplicates Z: 38 18.591 2.001 0.476 0.500 0.865 0.568 CA 1.197 38 residues pruned to eliminate duplicates Z: 47 26.081 2.073 0.386 0.548 0.935 0.587 CA 1.366 47 residues pruned to eliminate duplicates Z: 30 27.206 2.156 0.413 0.695 1.000 0.621 CA 1.388 30 residues pruned to eliminate duplicates Z: 8 7.272 2.073 0.591 0.462 0.714 0.286 CA 1.213 8 residues pruned to eliminate duplicates Z: 65 35.562 2.068 0.442 0.587 0.922 0.562 CA 1.488 65 residues pruned to eliminate duplicates Z: 34 23.473 2.037 0.379 0.672 0.939 0.606 CA 1.322 34 residues pruned to eliminate duplicates Z: 68 37.455 2.086 0.411 0.584 0.955 0.522 CA 1.502 68 residues pruned to eliminate duplicates Z: 35 23.940 2.041 0.469 0.684 0.941 0.588 CA 1.229 35 residues pruned to eliminate duplicates Z: 17 20.682 2.117 0.703 0.841 0.938 0.562 CA 1.141 17 residues pruned to eliminate duplicates Z: 26 24.328 2.081 0.421 0.739 0.960 0.480 CA 1.383 26 residues pruned to eliminate duplicates Z: 46 36.058 2.099 0.576 0.616 1.000 0.556 CA 1.456 46 residues pruned to eliminate duplicates Z: 48 26.610 2.024 0.464 0.553 0.915 0.447 CA 1.360 48 residues pruned to eliminate duplicates Z: 71 36.324 2.048 0.467 0.544 0.929 0.557 CA 1.490 71 residues pruned to eliminate duplicates Z: 30 16.948 1.948 0.481 0.613 0.759 0.345 CA 1.292 30 residues pruned to eliminate duplicates Z: 86 39.823 2.096 0.462 0.540 0.894 0.482 CA 1.516 86 residues pruned to eliminate duplicates Z: 29 23.527 2.065 0.565 0.672 0.893 0.536 CB 1.315 29 residues pruned to eliminate duplicates Z: 85 39.401 2.068 0.448 0.565 0.929 0.583 CA 1.453 85 residues pruned to eliminate duplicates Z: 89 41.818 2.048 0.624 0.520 0.886 0.534 CB 1.482 87 residues pruned to eliminate duplicates Z: 17 24.864 2.111 0.844 0.862 0.938 0.625 CA 1.250 17 residues pruned to eliminate duplicates Z: 66 43.404 2.126 0.560 0.590 0.985 0.585 CA 1.513 66 residues pruned to eliminate duplicates Z: 23 24.044 1.999 0.710 0.759 0.955 0.409 CA 1.247 23 residues pruned to eliminate duplicates Z: 70 37.680 2.071 0.542 0.547 0.942 0.435 CA 1.440 70 residues pruned to eliminate duplicates Z: 58 36.460 2.103 0.536 0.583 0.947 0.526 CA 1.457 58 residues pruned to eliminate duplicates Z: 14 17.469 2.118 0.404 0.675 1.000 0.769 CA 1.387 14 residues pruned to eliminate duplicates Z: 61 44.602 2.123 0.670 0.599 0.933 0.550 CB 1.583 61 residues pruned to eliminate duplicates Z: 31 26.166 2.087 0.553 0.694 0.933 0.467 CA 1.322 31 residues pruned to eliminate duplicates Z: 28 21.367 2.086 0.481 0.515 0.963 0.481 CB 1.362 28 residues pruned to eliminate duplicates Z: 27 23.033 2.105 0.634 0.496 0.923 0.500 CB 1.429 27 residues pruned to eliminate duplicates Z: 38 26.969 2.042 0.609 0.654 0.919 0.486 CA 1.272 38 residues pruned to eliminate duplicates Z: 59 41.822 2.140 0.569 0.600 0.948 0.569 CA 1.568 59 residues pruned to eliminate duplicates Z: 28 22.894 2.043 0.609 0.505 0.926 0.519 CB 1.440 28 residues pruned to eliminate duplicates Z: 57 40.600 2.121 0.641 0.603 0.946 0.500 CA 1.494 57 residues pruned to eliminate duplicates Z: 30 37.584 2.137 0.967 0.711 0.966 0.517 CA 1.420 30 residues pruned to eliminate duplicates Z: 62 40.959 2.087 0.649 0.595 0.902 0.508 CB 1.544 63 residues pruned to eliminate duplicates Z: 13 28.782 2.112 0.908 0.848 1.000 0.833 CB 1.529 13 residues pruned to eliminate duplicates Z: 40 30.885 2.116 0.549 0.485 0.949 0.513 CB 1.614 40 residues pruned to eliminate duplicates Z: 79 41.589 2.082 0.628 0.523 0.897 0.462 CB 1.514 79 residues pruned to eliminate duplicates Z: 33 28.612 2.095 0.536 0.470 0.969 0.500 CA 1.672 33 residues pruned to eliminate duplicates Z: 6 7.321 1.800 0.830 0.452 1.000 0.800 CA 1.044 6 residues pruned to eliminate duplicates Z: 61 38.050 2.117 0.593 0.568 0.900 0.583 CA 1.516 61 residues pruned to eliminate duplicates Z: 33 25.987 2.091 0.576 0.454 0.938 0.500 CB 1.559 33 residues pruned to eliminate duplicates Z: 11 18.424 2.123 0.871 0.412 1.000 0.500 CA 1.608 11 residues pruned to eliminate duplicates Z: 67 39.032 2.090 0.530 0.570 0.924 0.470 CA 1.519 67 residues pruned to eliminate duplicates Z: 58 37.497 2.091 0.522 0.589 0.965 0.526 CA 1.485 58 residues pruned to eliminate duplicates Z: 24 20.844 2.121 0.410 0.467 0.913 0.565 CB 1.645 24 residues pruned to eliminate duplicates Z: 35 25.550 2.079 0.524 0.432 0.941 0.441 CA 1.578 35 residues pruned to eliminate duplicates Z: 22 20.246 2.000 0.459 0.489 0.905 0.476 CB 1.692 22 residues pruned to eliminate duplicates Z: 18 19.368 2.139 0.447 0.457 0.941 0.529 CA 1.684 18 residues pruned to eliminate duplicates Z: 47 30.164 2.082 0.633 0.488 0.870 0.587 CB 1.522 47 residues pruned to eliminate duplicates Z: 21 19.702 2.145 0.415 0.502 0.900 0.600 CB 1.611 21 residues pruned to eliminate duplicates Z: 82 36.360 2.041 0.560 0.478 0.889 0.531 CA 1.459 82 residues pruned to eliminate duplicates Z: 25 19.811 2.068 0.467 0.516 0.875 0.583 CB 1.500 24 residues pruned to eliminate duplicates Z: 11 13.211 1.984 0.205 0.622 1.000 0.500 CB 1.557 11 residues pruned to eliminate duplicates Z: 21 18.566 2.142 0.364 0.506 0.900 0.650 CB 1.569 21 residues pruned to eliminate duplicates Z: 23 16.832 2.022 0.305 0.460 0.909 0.682 CB 1.559 23 residues pruned to eliminate duplicates Z: 41 29.438 2.085 0.607 0.492 0.875 0.625 CB 1.601 41 residues pruned to eliminate duplicates Z: 23 20.763 2.102 0.431 0.551 0.909 0.682 CA 1.541 23 residues pruned to eliminate duplicates Z: 26 17.346 1.960 0.470 0.468 0.880 0.400 CB 1.414 26 residues pruned to eliminate duplicates Z: 15 12.859 2.012 0.270 0.558 0.786 0.714 CB 1.618 15 residues pruned to eliminate duplicates Z: 23 17.298 2.100 0.346 0.467 0.864 0.545 CB 1.562 23 residues pruned to eliminate duplicates Z: 43 28.102 2.061 0.559 0.477 0.881 0.571 CB 1.569 43 residues pruned to eliminate duplicates Z: 46 41.904 2.198 0.596 0.665 0.978 0.689 CA 1.563 46 residues pruned to eliminate duplicates Z: 41 40.110 2.204 0.796 0.625 0.925 0.650 CA 1.540 47 residues pruned to eliminate duplicates Z: 45 40.523 2.190 0.558 0.634 0.977 0.614 CA 1.615 45 residues pruned to eliminate duplicates Z: 51 38.354 2.192 0.596 0.610 0.940 0.660 CA 1.487 51 residues pruned to eliminate duplicates Z: 54 41.843 2.150 0.707 0.593 0.943 0.698 CA 1.519 55 residues pruned to eliminate duplicates Z: 71 42.637 2.223 0.487 0.528 0.943 0.614 CA 1.591 71 residues pruned to eliminate duplicates Z: 45 42.595 2.222 0.613 0.633 0.955 0.545 CA 1.656 45 residues pruned to eliminate duplicates Z: 44 43.426 2.249 0.564 0.658 0.977 0.651 CA 1.665 44 residues pruned to eliminate duplicates Z: 50 42.378 2.185 0.611 0.622 0.959 0.571 CA 1.597 50 residues pruned to eliminate duplicates Z: 71 44.261 2.216 0.581 0.521 0.914 0.543 CA 1.618 71 residues pruned to eliminate duplicates Z: 43 42.297 2.249 0.564 0.654 0.976 0.595 CA 1.647 43 residues pruned to eliminate duplicates Z: 45 39.060 2.220 0.582 0.664 0.909 0.591 CA 1.584 45 residues pruned to eliminate duplicates Z: 44 41.395 2.215 0.609 0.633 0.953 0.628 CA 1.640 44 residues pruned to eliminate duplicates Z: 55 36.619 2.149 0.507 0.570 0.926 0.574 CB 1.554 55 residues pruned to eliminate duplicates Z: 43 40.353 2.257 0.554 0.645 0.952 0.571 CA 1.628 43 residues pruned to eliminate duplicates Z: 41 39.049 2.226 0.670 0.590 0.950 0.675 CA 1.604 41 residues pruned to eliminate duplicates Z: 28 27.541 2.154 0.693 0.542 0.889 0.593 CA 1.570 28 residues pruned to eliminate duplicates Z: 62 46.528 2.180 0.672 0.551 0.951 0.557 CB 1.636 62 residues pruned to eliminate duplicates Z: 47 41.185 2.193 0.677 0.598 0.913 0.457 CB 1.646 47 residues pruned to eliminate duplicates Z: 52 38.884 2.206 0.563 0.601 0.922 0.569 CA 1.556 52 residues pruned to eliminate duplicates Z: 49 44.580 2.244 0.633 0.627 0.958 0.542 CA 1.626 49 residues pruned to eliminate duplicates Z: 48 42.993 2.231 0.638 0.641 0.936 0.574 CA 1.607 48 residues pruned to eliminate duplicates Z: 46 43.244 2.177 0.590 0.647 1.000 0.711 CA 1.624 23 residues pruned to eliminate duplicates Z: 44 42.448 2.269 0.547 0.645 0.953 0.605 CA 1.689 21 residues pruned to eliminate duplicates Z: 63 40.207 2.183 0.557 0.532 0.919 0.500 CA 1.583 63 residues pruned to eliminate duplicates Z: 42 35.137 2.207 0.582 0.578 0.902 0.537 CA 1.615 42 residues pruned to eliminate duplicates Z: 42 34.627 2.249 0.500 0.609 0.854 0.488 CB 1.694 42 residues pruned to eliminate duplicates Z: 38 33.253 2.274 0.558 0.647 0.838 0.622 CA 1.606 38 residues pruned to eliminate duplicates Z: 59 44.525 2.139 0.637 0.591 0.948 0.534 CA 1.614 59 residues pruned to eliminate duplicates Z: 68 48.801 2.240 0.599 0.560 0.955 0.552 CA 1.644 69 residues pruned to eliminate duplicates Z: 17 16.232 2.131 0.481 0.482 0.812 0.438 CB 1.612 17 residues pruned to eliminate duplicates Z: 43 33.953 2.192 0.628 0.610 0.810 0.405 CA 1.633 43 residues pruned to eliminate duplicates Z: 42 40.919 2.233 0.629 0.607 0.976 0.585 CA 1.627 42 residues pruned to eliminate duplicates Z: 35 18.518 2.071 0.475 0.292 0.882 0.324 CA 1.488 35 residues pruned to eliminate duplicates Z: 22 21.310 2.207 0.575 0.546 0.857 0.286 CB 1.492 22 residues pruned to eliminate duplicates Z: 54 37.826 2.166 0.578 0.545 0.925 0.415 CA 1.574 54 residues pruned to eliminate duplicates Z: 61 43.896 2.211 0.608 0.543 0.933 0.500 CB 1.638 61 residues pruned to eliminate duplicates Z: 26 18.190 2.025 0.434 0.467 0.960 0.360 CB 1.350 26 residues pruned to eliminate duplicates Z: 48 42.313 2.142 0.676 0.626 0.936 0.596 CA 1.631 48 residues pruned to eliminate duplicates Z: 60 32.340 2.071 0.606 0.474 0.881 0.407 CB 1.474 60 residues pruned to eliminate duplicates Z: 24 23.887 2.135 0.499 0.527 0.913 0.348 CB 1.660 24 residues pruned to eliminate duplicates Z: 44 25.631 2.161 0.541 0.368 0.884 0.395 CB 1.529 44 residues pruned to eliminate duplicates Z: 51 28.744 2.070 0.647 0.537 0.780 0.260 CB 1.475 51 residues pruned to eliminate duplicates Z: 42 29.770 2.200 0.518 0.426 0.927 0.463 CA 1.621 42 residues pruned to eliminate duplicates Z: 20 17.651 2.185 0.562 0.281 0.947 0.421 CA 1.604 20 residues pruned to eliminate duplicates Z: 44 26.944 2.178 0.531 0.387 0.907 0.395 CB 1.532 44 residues pruned to eliminate duplicates Z: 72 45.985 2.229 0.595 0.532 0.930 0.493 CA 1.600 72 residues pruned to eliminate duplicates Z: 26 19.549 2.165 0.560 0.300 0.920 0.440 CA 1.573 26 residues pruned to eliminate duplicates Z: 73 45.718 2.208 0.619 0.502 0.917 0.403 CA 1.642 73 residues pruned to eliminate duplicates Z: 95 48.460 2.175 0.453 0.537 0.915 0.585 CA 1.667 95 residues pruned to eliminate duplicates Z: 91 49.231 2.195 0.503 0.569 0.900 0.544 CA 1.635 91 residues pruned to eliminate duplicates Z: 64 40.774 2.197 0.526 0.518 0.952 0.508 CA 1.580 64 residues pruned to eliminate duplicates Z: 21 16.489 2.178 0.507 0.265 0.950 0.400 CB 1.545 21 residues pruned to eliminate duplicates Z: 61 39.859 2.209 0.531 0.522 0.917 0.550 CA 1.623 61 residues pruned to eliminate duplicates Z: 63 40.528 2.186 0.520 0.492 0.952 0.355 CB 1.641 63 residues pruned to eliminate duplicates Z: 25 15.206 2.172 0.380 0.293 0.833 0.375 CA 1.568 25 residues pruned to eliminate duplicates Z: 10 4.506 2.121 0.262 0.160 0.667 0.333 CA 1.276 10 residues pruned to eliminate duplicates Z: 25 13.852 2.156 0.287 0.314 0.833 0.500 CA 1.504 25 residues pruned to eliminate duplicates Z: 51 17.762 1.934 0.401 0.370 0.820 0.400 CB 1.299 51 residues pruned to eliminate duplicates Z: 75 39.028 2.188 0.503 0.496 0.865 0.514 CA 1.601 75 residues pruned to eliminate duplicates Z: 15 9.522 2.096 0.312 0.383 0.857 0.429 CA 1.222 15 residues pruned to eliminate duplicates Z: 64 40.151 2.253 0.444 0.546 0.889 0.540 CA 1.672 64 residues pruned to eliminate duplicates Z: 25 12.702 2.077 0.425 0.277 0.833 0.458 CA 1.354 25 residues pruned to eliminate duplicates Z: 68 45.151 2.236 0.608 0.517 0.940 0.522 CA 1.605 68 residues pruned to eliminate duplicates Z: 74 40.595 2.194 0.548 0.518 0.904 0.548 CA 1.520 74 residues pruned to eliminate duplicates Z: 39 22.664 2.104 0.323 0.500 0.816 0.579 CA 1.619 39 residues pruned to eliminate duplicates Z: 22 13.905 2.233 0.384 0.329 0.810 0.571 CA 1.463 22 residues pruned to eliminate duplicates Z: 73 45.705 2.211 0.653 0.513 0.903 0.444 CA 1.612 72 residues pruned to eliminate duplicates Z: 16 10.723 2.002 0.445 0.325 0.800 0.400 CA 1.450 16 residues pruned to eliminate duplicates Z: 73 38.744 2.199 0.521 0.487 0.847 0.458 CA 1.632 73 residues pruned to eliminate duplicates Z: 28 29.207 2.120 0.361 0.689 0.963 0.741 CA 1.701 28 residues pruned to eliminate duplicates Z: 57 26.817 2.117 0.319 0.476 0.857 0.589 CA 1.534 57 residues pruned to eliminate duplicates Z: 35 23.774 2.007 0.376 0.643 0.853 0.559 CB 1.515 35 residues pruned to eliminate duplicates Z: 51 26.958 2.094 0.366 0.546 0.820 0.520 CA 1.554 51 residues pruned to eliminate duplicates Z: 21 23.725 2.161 0.297 0.666 0.900 0.850 CB 1.804 21 residues pruned to eliminate duplicates Z: 42 26.149 2.177 0.286 0.498 0.878 0.585 CA 1.664 42 residues pruned to eliminate duplicates Z: 18 8.511 1.802 0.324 0.301 0.824 0.412 CA 1.311 18 residues pruned to eliminate duplicates Z: 22 21.978 2.126 0.270 0.610 0.905 0.714 N 1.769 22 residues pruned to eliminate duplicates Z: 40 24.009 2.009 0.392 0.554 0.821 0.487 CA 1.589 40 residues pruned to eliminate duplicates Z: 22 19.812 2.119 0.235 0.600 0.905 0.619 CA 1.660 22 residues pruned to eliminate duplicates Z: 22 20.052 2.072 0.225 0.682 0.905 0.667 N 1.612 22 residues pruned to eliminate duplicates Z: 34 24.573 2.074 0.433 0.608 0.818 0.576 CB 1.588 34 residues pruned to eliminate duplicates Z: 29 29.458 2.084 0.568 0.664 0.893 0.571 CB 1.640 29 residues pruned to eliminate duplicates Z: 23 20.712 2.157 0.404 0.670 0.909 0.636 CB 1.370 23 residues pruned to eliminate duplicates Z: 25 22.912 2.082 0.364 0.671 0.833 0.542 CB 1.687 25 residues pruned to eliminate duplicates Z: 32 19.029 1.986 0.430 0.598 0.774 0.387 CB 1.415 32 residues pruned to eliminate duplicates Z: 27 21.015 2.116 0.330 0.708 0.769 0.577 CB 1.576 27 residues pruned to eliminate duplicates Z: 30 31.496 2.126 0.488 0.719 0.897 0.586 CB 1.691 30 residues pruned to eliminate duplicates Z: 29 25.121 2.109 0.524 0.723 0.821 0.464 CB 1.471 29 residues pruned to eliminate duplicates Z: 28 27.901 2.036 0.587 0.695 0.926 0.593 CB 1.502 28 residues pruned to eliminate duplicates Z: 34 29.306 2.025 0.752 0.604 0.818 0.455 CB 1.592 34 residues pruned to eliminate duplicates Z: 27 26.666 2.075 0.578 0.722 0.846 0.385 CB 1.545 27 residues pruned to eliminate duplicates Z: 25 30.162 2.156 0.643 0.755 0.833 0.333 CB 1.662 25 residues pruned to eliminate duplicates Z: 32 28.344 2.060 0.572 0.656 0.871 0.387 CB 1.562 32 residues pruned to eliminate duplicates Z: 38 25.861 2.097 0.461 0.642 0.757 0.432 CB 1.607 38 residues pruned to eliminate duplicates Z: 36 21.092 2.007 0.532 0.551 0.714 0.371 CB 1.544 36 residues pruned to eliminate duplicates Z: 40 21.723 1.976 0.485 0.547 0.744 0.308 N 1.523 40 residues pruned to eliminate duplicates Z: 25 24.110 2.119 0.494 0.667 0.875 0.375 CB 1.523 25 residues pruned to eliminate duplicates Z: 29 13.371 1.983 0.427 0.582 0.571 0.179 CB 1.444 29 residues pruned to eliminate duplicates Z: 37 22.906 2.031 0.515 0.584 0.722 0.333 CB 1.585 37 residues pruned to eliminate duplicates Z: 30 16.484 2.050 0.331 0.577 0.759 0.345 CB 1.373 30 residues pruned to eliminate duplicates Z: 34 20.664 2.023 0.553 0.524 0.788 0.273 CB 1.419 34 residues pruned to eliminate duplicates Z: 31 20.406 2.052 0.665 0.546 0.700 0.400 CB 1.489 31 residues pruned to eliminate duplicates Z: 35 30.758 2.085 0.648 0.582 0.882 0.412 CB 1.609 35 residues pruned to eliminate duplicates Z: 11 5.875 1.767 0.322 0.337 0.700 0.200 CB 1.358 11 residues pruned to eliminate duplicates Z: 65 25.104 1.974 0.414 0.468 0.812 0.359 CB 1.429 65 residues pruned to eliminate duplicates Z: 22 10.823 2.015 0.308 0.354 0.762 0.286 CB 1.377 22 residues pruned to eliminate duplicates Z: 51 30.046 2.075 0.602 0.502 0.860 0.340 CB 1.483 51 residues pruned to eliminate duplicates Z: 26 11.893 1.963 0.375 0.336 0.800 0.360 CB 1.318 26 residues pruned to eliminate duplicates Z: 25 12.766 1.974 0.357 0.354 0.792 0.333 CB 1.439 25 residues pruned to eliminate duplicates Z: 51 28.545 2.079 0.580 0.531 0.820 0.400 CB 1.453 55 residues pruned to eliminate duplicates Z: 7 3.940 1.600 0.231 0.497 0.667 0.333 N 1.228 7 residues pruned to eliminate duplicates Z: 21 12.973 1.996 0.316 0.433 0.900 0.500 CB 1.315 21 residues pruned to eliminate duplicates Z: 22 15.630 2.003 0.341 0.419 0.905 0.429 CB 1.528 22 residues pruned to eliminate duplicates Z: 28 14.558 1.831 0.386 0.415 0.926 0.333 CB 1.303 28 residues pruned to eliminate duplicates Z: 28 15.067 1.940 0.404 0.345 0.852 0.444 CB 1.479 23 residues pruned to eliminate duplicates Z: 7 7.019 1.712 0.939 0.445 0.833 0.333 CB 1.096 7 residues pruned to eliminate duplicates Z: 23 12.418 1.905 0.236 0.500 0.909 0.455 CB 1.238 23 residues pruned to eliminate duplicates Z: 22 14.654 1.977 0.426 0.413 0.857 0.571 CB 1.448 22 residues pruned to eliminate duplicates Z: 52 23.465 2.026 0.548 0.479 0.765 0.314 CB 1.398 52 residues pruned to eliminate duplicates Z: 24 13.580 1.975 0.332 0.414 0.826 0.391 CB 1.426 24 residues pruned to eliminate duplicates Z: 14 7.468 1.785 0.440 0.326 0.769 0.462 N 1.269 14 residues pruned to eliminate duplicates Z: 20 13.634 1.937 0.271 0.447 0.895 0.632 CB 1.500 20 residues pruned to eliminate duplicates Z: 21 14.428 1.930 0.471 0.411 0.850 0.500 CB 1.468 21 residues pruned to eliminate duplicates Z: 52 21.240 2.015 0.512 0.523 0.686 0.373 CB 1.391 52 residues pruned to eliminate duplicates Z: 16 5.601 1.778 0.376 0.135 0.667 0.133 CA 1.395 12 residues pruned to eliminate duplicates Z: 14 4.630 1.690 0.551 0.112 0.692 0.231 N 1.156 14 residues pruned to eliminate duplicates Z: 12 4.704 1.731 0.342 0.103 0.727 0.364 CB 1.392 12 residues pruned to eliminate duplicates Z: 16 4.933 1.734 0.356 0.105 0.667 0.267 CA 1.342 16 residues pruned to eliminate duplicates Z: 6 2.532 1.515 0.239 0.104 0.800 0.200 CB 1.250 6 residues pruned to eliminate duplicates 6 1.690 1.651 0.504 0.123 0.400 0.000 CA 1.222 ? 8 1.726 1.674 0.403 0.074 0.429 0.286 CA 1.128 ? Z: 7 2.279 1.755 0.322 0.100 0.500 0.167 CA 1.337 7 residues pruned to eliminate duplicates Z: 18 13.759 1.911 0.516 0.397 0.882 0.471 CA 1.456 18 residues pruned to eliminate duplicates Z: 24 10.766 1.824 0.482 0.357 0.826 0.391 CA 1.173 24 residues pruned to eliminate duplicates Z: 9 5.200 1.818 0.472 0.358 0.750 0.625 CB 1.068 9 residues pruned to eliminate duplicates Z: 29 13.632 1.895 0.550 0.302 0.786 0.536 CA 1.391 50 residues pruned to eliminate duplicates Z: 6 6.241 1.755 0.752 0.421 1.000 0.600 CA 0.986 Z: 7 4.618 1.607 0.871 0.481 0.833 0.667 C 0.767 7 residues pruned to eliminate duplicates Z: 19 13.125 1.880 0.406 0.364 0.944 0.722 CB 1.434 19 residues pruned to eliminate duplicates Z: 19 14.572 1.932 0.401 0.443 0.889 0.500 CB 1.515 19 residues pruned to eliminate duplicates Z: 20 15.406 1.975 0.737 0.342 0.842 0.474 CA 1.453 20 residues pruned to eliminate duplicates Z: 21 19.351 2.043 0.501 0.574 0.950 0.600 CB 1.382 21 residues pruned to eliminate duplicates Z: 37 34.482 2.042 0.493 0.690 0.944 0.667 CB 1.677 37 residues pruned to eliminate duplicates Z: 39 31.362 1.968 0.492 0.675 0.947 0.605 CB 1.557 39 residues pruned to eliminate duplicates Z: 29 27.668 2.030 0.491 0.646 0.964 0.607 CB 1.563 29 residues pruned to eliminate duplicates Z: 28 32.623 1.989 0.667 0.711 0.926 0.593 CB 1.689 28 residues pruned to eliminate duplicates Z: 38 33.865 2.040 0.527 0.645 0.946 0.568 CB 1.651 38 residues pruned to eliminate duplicates Z: 23 34.698 2.067 0.688 0.861 0.955 0.636 CA 1.633 23 residues pruned to eliminate duplicates Z: 30 28.735 2.105 0.565 0.635 0.897 0.517 CB 1.592 30 residues pruned to eliminate duplicates Z: 36 33.899 1.982 0.747 0.653 0.971 0.686 CB 1.477 37 residues pruned to eliminate duplicates Z: 19 28.024 1.957 0.767 0.886 0.889 0.611 CB 1.550 19 residues pruned to eliminate duplicates Z: 34 29.201 1.965 0.628 0.661 0.909 0.606 CB 1.506 29 residues pruned to eliminate duplicates Z: 18 27.135 2.039 0.675 0.883 0.941 0.647 CB 1.480 18 residues pruned to eliminate duplicates Z: 46 30.803 1.965 0.584 0.555 0.867 0.511 CB 1.614 46 residues pruned to eliminate duplicates Z: 21 25.412 2.064 0.776 0.674 0.900 0.550 CB 1.467 21 residues pruned to eliminate duplicates Z: 47 29.232 1.954 0.570 0.588 0.848 0.478 CB 1.523 47 residues pruned to eliminate duplicates Z: 23 27.946 2.058 0.792 0.703 0.955 0.591 CB 1.408 23 residues pruned to eliminate duplicates Z: 39 27.056 1.919 0.584 0.630 0.868 0.500 CB 1.472 39 residues pruned to eliminate duplicates Z: 42 35.594 2.025 0.579 0.656 0.927 0.707 CB 1.623 42 residues pruned to eliminate duplicates Z: 42 30.983 1.964 0.650 0.605 0.927 0.585 CB 1.458 41 residues pruned to eliminate duplicates Z: 22 31.499 2.059 0.621 0.916 0.905 0.476 CB 1.608 22 residues pruned to eliminate duplicates Z: 46 37.627 2.018 0.673 0.626 0.911 0.578 CB 1.619 46 residues pruned to eliminate duplicates Z: 43 26.914 1.944 0.598 0.630 0.833 0.381 CB 1.419 43 residues pruned to eliminate duplicates Z: 37 40.029 2.046 0.671 0.705 0.972 0.556 CB 1.666 37 residues pruned to eliminate duplicates Z: 42 32.394 1.972 0.638 0.617 0.902 0.488 CB 1.554 42 residues pruned to eliminate duplicates Z: 11 7.842 1.677 0.469 0.281 0.900 0.500 O 1.432 11 residues pruned to eliminate duplicates Z: 45 32.714 2.020 0.658 0.593 0.841 0.500 CB 1.603 45 residues pruned to eliminate duplicates Z: 6 2.419 1.430 0.432 0.314 0.800 0.400 N 0.811 6 residues pruned to eliminate duplicates Z: 11 12.201 1.853 0.746 0.391 0.900 0.400 CB 1.487 11 residues pruned to eliminate duplicates Z: 8 5.910 1.614 0.842 0.489 0.714 0.286 CA 1.064 8 residues pruned to eliminate duplicates Z: 11 8.842 1.703 0.615 0.376 0.900 0.300 CB 1.289 7 residues pruned to eliminate duplicates Z: 7 3.906 1.356 0.753 0.515 0.833 0.500 CA 0.793 7 residues pruned to eliminate duplicates Z: 10 4.701 1.681 0.527 0.365 0.667 0.222 CA 1.058 10 residues pruned to eliminate duplicates Z: 8 8.209 1.838 0.641 0.545 0.857 0.286 CB 1.148 8 residues pruned to eliminate duplicates Z: 20 6.380 1.777 0.361 0.428 0.684 0.421 CB 0.953 6 residues pruned to eliminate duplicates 6 1.482 1.476 -0.004 0.315 0.800 0.800 CB 0.691 ? Z: 13 8.024 1.701 0.334 0.478 0.833 0.417 N 1.252 13 residues pruned to eliminate duplicates Z: 13 6.552 1.501 0.377 0.578 0.833 0.667 CB 1.019 12 residues pruned to eliminate duplicates Z: 23 6.216 1.755 0.422 0.390 0.773 0.364 CB 0.772 18 residues pruned to eliminate duplicates Z: 7 3.959 1.453 0.624 0.653 0.833 0.500 CA 0.713 7 residues pruned to eliminate duplicates Z: 15 5.955 1.802 0.370 0.431 0.714 0.500 CB 0.969 15 residues pruned to eliminate duplicates Z: 7 3.785 2.001 0.475 0.286 0.667 0.500 CB 0.999 7 residues pruned to eliminate duplicates Z: 8 7.309 1.909 0.666 0.438 0.857 0.429 CB 1.081 8 residues pruned to eliminate duplicates Z: 17 9.429 1.930 0.508 0.269 0.750 0.250 CB 1.404 17 residues pruned to eliminate duplicates Z: 18 8.475 2.006 0.394 0.270 0.706 0.412 CB 1.353 18 residues pruned to eliminate duplicates Z: 16 8.125 1.979 0.554 0.181 0.667 0.267 CB 1.501 16 residues pruned to eliminate duplicates Z: 14 12.218 2.069 0.487 0.301 0.923 0.385 CB 1.488 14 residues pruned to eliminate duplicates Z: 6 6.509 1.976 0.697 0.425 0.800 0.600 CA 1.173 6 residues pruned to eliminate duplicates Z: 13 10.950 2.100 0.518 0.338 0.750 0.250 CB 1.577 13 residues pruned to eliminate duplicates Z: 18 9.470 2.012 0.477 0.236 0.706 0.235 CB 1.487 18 residues pruned to eliminate duplicates Z: 18 7.922 1.797 0.589 0.206 0.765 0.294 CB 1.247 18 residues pruned to eliminate duplicates Z: 18 9.381 2.001 0.434 0.249 0.706 0.294 CB 1.499 17 residues pruned to eliminate duplicates Z: 6 3.608 1.830 0.249 0.168 0.800 0.200 CB 1.321 Z: 7 5.908 1.382 0.935 0.420 1.000 0.333 CB 0.981 6 residues pruned to eliminate duplicates Z: 11 12.092 1.831 0.260 0.679 0.900 0.600 CA 1.562 8 residues pruned to eliminate duplicates Z: 10 12.431 1.961 0.305 0.571 1.000 0.556 N 1.512 10 residues pruned to eliminate duplicates Z: 26 17.567 2.026 0.238 0.492 0.880 0.400 CA 1.603 22 residues pruned to eliminate duplicates Z: 8 9.522 1.976 0.094 0.697 0.857 0.714 CA 1.623 8 residues pruned to eliminate duplicates Z: 15 10.971 1.929 0.086 0.559 0.857 0.429 CA 1.543 14 residues pruned to eliminate duplicates Z: 7 7.685 1.947 0.106 0.606 0.833 0.500 CA 1.581 7 residues pruned to eliminate duplicates Z: 25 17.299 2.007 0.280 0.531 0.833 0.375 CB 1.600 24 residues pruned to eliminate duplicates Z: 8 5.274 1.920 0.090 0.439 0.714 0.286 CB 1.420 8 residues pruned to eliminate duplicates Z: 26 17.493 2.016 0.327 0.546 0.800 0.440 CA 1.562 26 residues pruned to eliminate duplicates Z: 9 9.703 2.017 0.485 0.489 0.750 0.375 CA 1.544 9 residues pruned to eliminate duplicates Z: 24 12.738 1.935 0.294 0.397 0.826 0.261 CB 1.431 24 residues pruned to eliminate duplicates Z: 27 16.930 2.003 0.289 0.556 0.808 0.308 CA 1.508 27 residues pruned to eliminate duplicates Z: 16 12.590 2.003 0.606 0.489 0.733 0.333 CA 1.394 16 residues pruned to eliminate duplicates Z: 28 22.401 2.039 0.437 0.547 0.852 0.333 CA 1.650 28 residues pruned to eliminate duplicates Z: 8 17.320 2.225 0.619 0.893 0.857 0.714 CA 1.523 8 residues pruned to eliminate duplicates Z: 27 19.356 1.993 0.416 0.538 0.846 0.269 CB 1.531 27 residues pruned to eliminate duplicates Z: 14 15.523 2.093 0.445 0.598 0.769 0.462 CA 1.686 14 residues pruned to eliminate duplicates Z: 27 20.269 2.074 0.395 0.566 0.769 0.231 CA 1.675 27 residues pruned to eliminate duplicates Z: 10 16.648 2.130 0.700 0.849 0.778 0.444 CB 1.461 10 residues pruned to eliminate duplicates Z: 29 19.503 2.013 0.358 0.529 0.857 0.500 CB 1.528 30 residues pruned to eliminate duplicates Z: 12 17.645 1.987 0.645 0.724 1.000 0.636 CA 1.330 12 residues pruned to eliminate duplicates Z: 7 2.703 1.713 0.277 0.298 0.500 0.333 CA 1.263 Z: 6 3.141 1.489 0.895 0.438 0.800 0.600 CA 0.663 6 residues pruned to eliminate duplicates Z: 10 15.725 2.094 0.786 0.543 1.000 0.667 CB 1.344 10 residues pruned to eliminate duplicates Z: 12 10.317 1.980 0.848 0.451 0.818 0.545 CB 1.093 12 residues pruned to eliminate duplicates Z: 12 9.986 2.068 0.460 0.504 0.818 0.545 CB 1.214 12 residues pruned to eliminate duplicates 533 residues left after pruning, divided into chains as follows: A: 17 B: 8 C: 18 D: 8 E: 9 F: 9 G: 8 H: 42 I: 50 J: 29 K: 88 L: 183 M: 13 N: 16 O: 26 P: 9 CC for partial structure against native data = 18.33 % ------------------------------------------------------------------------------ Global autotracing cycle 31 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.409, Connect. = 0.679 for dens.mod. cycle 1 = 0.317, Contrast = 0.470, Connect. = 0.699 for dens.mod. cycle 2 = 0.318, Contrast = 0.563, Connect. = 0.745 for dens.mod. cycle 3 = 0.318, Contrast = 0.564, Connect. = 0.747 for dens.mod. cycle 4 = 0.318, Contrast = 0.576, Connect. = 0.753 for dens.mod. cycle 5 = 0.318, Contrast = 0.579, Connect. = 0.756 for dens.mod. cycle 6 = 0.318, Contrast = 0.585, Connect. = 0.759 for dens.mod. cycle 7 = 0.318, Contrast = 0.587, Connect. = 0.761 for dens.mod. cycle 8 = 0.318, Contrast = 0.590, Connect. = 0.763 for dens.mod. cycle 9 = 0.318, Contrast = 0.591, Connect. = 0.765 for dens.mod. cycle 10 TimeTaking 1556