++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 00:40:15 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: ./2ffj-2.5-parrot-noncs/2ffj-2.5-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2ffj-2.5-parrot-noncs/2ffj-2.5-parrot-noncs.ins Phases from ./2ffj-2.5-parrot-noncs/2ffj-2.5-parrot-noncs.phi Native data from ./2ffj-2.5-parrot-noncs/2ffj-2.5-parrot-noncs.hkl Listing output to ./2ffj-2.5-parrot-noncs/2ffj-2.5-parrot-noncs.lst Phases output to ./2ffj-2.5-parrot-noncs/2ffj-2.5-parrot-noncs.phs Poly-Ala trace output to ./2ffj-2.5-parrot-noncs/2ffj-2.5-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 25302 Reflections read from file ./2ffj-2.5-parrot-noncs/2ffj-2.5-parrot-noncs.phi 25302 Reflections read from file ./2ffj-2.5-parrot-noncs/2ffj-2.5-parrot-noncs.hkl 25302 Unique data, highest resolution = 2.450 Angstroms Anisotropic scaling: intensities multiplied by 0.000487h^2 -0.000387k^2 +0.000067l^2 +0.000000kl +0.000000hl +0.000000hk 98 Reflections with d > 2.650 and 0 in range 2.650 > d > 2.450 added Density sharpening factor set to 0.07 Fourier grid = 128 x 128 x 38 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.715 = 0.300, Contrast = 0.519, Connect. = 0.755 for dens.mod. cycle 1 = 0.300, Contrast = 0.493, Connect. = 0.712 for dens.mod. cycle 2 = 0.300, Contrast = 0.576, Connect. = 0.742 for dens.mod. cycle 3 = 0.300, Contrast = 0.607, Connect. = 0.753 for dens.mod. cycle 4 = 0.300, Contrast = 0.625, Connect. = 0.759 for dens.mod. cycle 5 = 0.300, Contrast = 0.635, Connect. = 0.763 for dens.mod. cycle 6 = 0.300, Contrast = 0.642, Connect. = 0.765 for dens.mod. cycle 7 = 0.300, Contrast = 0.647, Connect. = 0.767 for dens.mod. cycle 8 = 0.300, Contrast = 0.650, Connect. = 0.768 for dens.mod. cycle 9 = 0.300, Contrast = 0.653, Connect. = 0.769 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1866 peaks > 0.5 sigma used to seed fragment search Space for about 738 unique residues taking solvent into account 472 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 24 13.229 1.709 0.763 0.461 0.783 0.522 CB 1.217 B: 9 10.712 1.602 0.750 0.857 0.875 0.750 CB 1.138 C: 15 21.165 1.762 0.677 0.915 1.000 0.929 CB 1.354 D: 14 9.663 1.868 0.880 0.802 0.769 0.385 CB 0.762 E: 26 17.763 1.797 0.443 0.857 0.920 0.880 CB 1.097 14 residues pruned to eliminate duplicates F: 25 17.107 1.853 0.600 0.846 0.958 0.625 CB 0.913 25 residues pruned to eliminate duplicates G: 15 11.907 1.700 0.567 0.826 0.857 0.571 CB 1.051 H: 15 16.068 1.758 0.595 0.865 0.929 0.786 CB 1.208 14 residues pruned to eliminate duplicates I: 14 25.246 1.837 0.802 0.895 1.000 0.615 CB 1.516 J: 25 23.506 1.846 0.707 0.884 0.958 0.833 CB 1.148 25 residues pruned to eliminate duplicates K: 13 19.143 1.786 0.820 0.827 1.000 0.750 CB 1.281 L: 25 17.885 1.882 0.431 0.860 0.917 0.833 CB 1.087 25 residues pruned to eliminate duplicates M: 9 10.636 1.674 0.974 0.654 0.750 0.750 CB 1.315 N: 15 24.589 1.829 0.713 0.909 0.929 0.643 O 1.603 15 residues pruned to eliminate duplicates O: 15 15.728 1.692 0.799 0.847 0.929 0.714 CB 1.104 P: 14 22.709 1.805 0.851 0.923 1.000 0.923 CB 1.325 14 residues pruned to eliminate duplicates Q: 17 10.891 1.770 0.884 0.467 0.750 0.562 CB 1.126 17 residues pruned to eliminate duplicates R: 12 13.976 1.834 0.834 0.818 0.909 0.636 CB 1.045 S: 15 22.328 1.770 0.678 0.908 1.000 0.929 CB 1.427 15 residues pruned to eliminate duplicates T: 15 28.081 1.844 0.831 0.923 1.000 0.857 CB 1.562 14 residues pruned to eliminate duplicates U: 15 19.095 1.762 0.811 0.881 0.857 0.357 CB 1.351 15 residues pruned to eliminate duplicates V: 10 12.629 1.680 0.781 0.889 1.000 0.889 CB 1.013 13 residues pruned to eliminate duplicates W: 17 20.242 1.697 0.831 0.860 0.875 0.688 CB 1.368 X: 14 23.338 1.849 0.669 0.918 1.000 0.923 CB 1.480 14 residues pruned to eliminate duplicates Y: 24 20.060 1.841 0.548 0.859 1.000 0.696 CB 1.080 24 residues pruned to eliminate duplicates Z: 13 14.157 1.631 0.666 0.895 0.917 0.750 CB 1.176 Z: 15 14.786 1.637 0.906 0.806 0.929 0.643 CB 1.044 10 residues pruned to eliminate duplicates Z: 13 8.375 1.493 0.507 0.737 0.750 0.500 N 1.158 Z: 13 15.028 1.701 0.666 0.877 0.917 0.917 CB 1.213 13 residues pruned to eliminate duplicates Z: 11 10.771 1.604 0.532 0.780 1.000 0.700 CB 1.083 Z: 25 20.530 1.882 0.639 0.848 0.875 0.708 CB 1.152 26 residues pruned to eliminate duplicates Z: 8 15.705 1.717 0.902 0.890 1.000 0.857 CB 1.307 9 residues pruned to eliminate duplicates Z: 9 7.793 1.612 0.352 0.599 1.000 0.625 O 1.151 Z: 16 23.151 1.683 1.074 0.876 0.933 0.933 CB 1.333 16 residues pruned to eliminate duplicates Z: 11 11.456 1.633 0.803 0.858 0.800 0.600 CB 1.133 11 residues pruned to eliminate duplicates Z: 16 14.267 1.682 0.631 0.857 0.933 0.733 CB 1.060 Z: 14 2.966 1.569 0.396 0.222 0.615 0.308 CB 0.846 Z: 10 10.951 1.715 0.494 0.905 0.778 0.667 N 1.304 12 residues pruned to eliminate duplicates Z: 16 17.500 1.683 0.687 0.869 0.933 0.467 N 1.246 16 residues pruned to eliminate duplicates Z: 10 14.409 1.968 0.718 0.820 0.889 0.556 CB 1.211 10 residues pruned to eliminate duplicates Z: 21 19.922 1.770 1.077 0.570 0.750 0.600 N 1.510 14 residues pruned to eliminate duplicates Z: 21 18.747 1.743 0.810 0.825 0.900 0.700 CB 1.115 12 residues pruned to eliminate duplicates Z: 14 15.033 1.611 0.800 0.902 0.923 0.462 CB 1.111 13 residues pruned to eliminate duplicates Z: 14 12.988 1.817 0.768 0.850 0.692 0.615 CB 1.200 14 residues pruned to eliminate duplicates Z: 20 15.185 1.923 0.676 0.461 0.895 0.579 CB 1.258 14 residues pruned to eliminate duplicates Z: 12 12.679 1.608 0.626 0.880 0.909 0.727 N 1.165 Z: 11 4.307 1.694 0.511 0.339 0.600 0.400 CB 1.056 11 residues pruned to eliminate duplicates Z: 14 7.758 1.634 0.703 0.424 0.769 0.538 CB 1.088 9 residues pruned to eliminate duplicates Z: 12 14.590 1.695 0.626 0.857 0.909 0.818 CB 1.294 12 residues pruned to eliminate duplicates Z: 12 15.402 1.711 0.862 0.773 0.818 0.545 O 1.400 Z: 16 26.417 1.763 1.086 0.913 1.000 0.800 CB 1.313 13 residues pruned to eliminate duplicates Z: 11 10.193 1.580 0.513 0.793 0.900 0.500 CB 1.158 10 residues pruned to eliminate duplicates Z: 7 5.310 1.587 0.199 0.589 1.000 0.833 N 1.046 Z: 10 10.418 1.785 0.752 0.575 1.000 0.778 CB 1.033 10 residues pruned to eliminate duplicates Z: 9 14.803 1.781 0.903 0.890 1.000 0.750 CB 1.111 8 residues pruned to eliminate duplicates Z: 7 4.877 1.600 1.081 0.869 0.833 0.833 CB 0.524 6 residues pruned to eliminate duplicates Z: 14 13.971 1.578 0.669 0.874 1.000 0.769 CB 1.070 14 residues pruned to eliminate duplicates Z: 16 21.562 1.733 0.853 0.846 0.933 0.800 CB 1.380 15 residues pruned to eliminate duplicates Z: 7 4.732 1.669 0.759 0.759 0.833 0.667 CB 0.627 7 residues pruned to eliminate duplicates Z: 8 2.430 1.555 0.228 0.161 0.714 0.429 N 1.019 Z: 11 9.098 1.550 0.820 0.726 0.900 0.600 CB 0.924 Z: 7 2.570 1.652 0.241 0.233 0.667 0.500 CB 1.047 Z: 8 4.372 1.645 0.187 0.312 0.857 0.286 CB 1.216 Z: 17 20.448 1.634 0.934 0.832 0.938 0.750 CB 1.296 17 residues pruned to eliminate duplicates Z: 7 12.649 1.878 0.882 0.849 1.000 0.667 CB 1.083 7 residues pruned to eliminate duplicates Z: 15 14.599 1.774 0.859 0.845 0.714 0.714 CB 1.231 15 residues pruned to eliminate duplicates Z: 9 7.638 1.675 1.024 0.728 0.875 0.500 CB 0.741 9 residues pruned to eliminate duplicates Z: 6 2.914 1.544 0.098 0.228 0.800 0.600 CA 1.321 Z: 15 20.843 1.725 0.737 0.909 1.000 0.929 CB 1.320 15 residues pruned to eliminate duplicates Z: 11 4.604 1.616 0.571 0.495 0.500 0.500 CB 1.153 11 residues pruned to eliminate duplicates Z: 7 2.606 1.542 0.305 0.706 1.000 0.667 CB 0.439 Z: 16 24.667 1.770 0.789 0.884 1.000 0.867 CB 1.453 16 residues pruned to eliminate duplicates Z: 19 12.635 1.629 0.592 0.540 0.833 0.611 CB 1.325 12 residues pruned to eliminate duplicates Z: 6 3.471 1.422 0.155 0.343 1.000 0.600 CB 1.120 Z: 9 7.707 1.638 0.691 0.532 0.750 0.500 CB 1.271 7 residues pruned to eliminate duplicates Z: 9 6.952 1.662 0.541 0.594 1.000 0.750 CB 0.878 9 residues pruned to eliminate duplicates Z: 11 14.544 1.657 0.606 0.853 1.000 0.800 CB 1.277 12 residues pruned to eliminate duplicates Z: 7 7.092 1.649 0.764 0.588 0.833 0.667 CB 1.098 Z: 19 13.326 1.675 0.643 0.608 0.778 0.500 N 1.324 19 residues pruned to eliminate duplicates Z: 6 6.262 1.580 0.727 0.659 0.800 0.400 N 1.107 6 residues pruned to eliminate duplicates Z: 10 7.667 1.708 0.645 0.718 0.667 0.333 CB 1.120 Z: 6 7.576 1.598 0.894 0.623 0.800 0.600 CB 1.247 Z: 14 25.271 1.739 1.148 0.848 1.000 0.769 CB 1.391 14 residues pruned to eliminate duplicates Z: 16 19.689 1.742 0.769 0.816 1.000 0.867 CB 1.253 16 residues pruned to eliminate duplicates Z: 10 9.582 1.612 0.440 0.738 0.889 0.667 O 1.251 10 residues pruned to eliminate duplicates Z: 11 9.784 1.661 0.613 0.795 0.900 0.800 CB 0.991 11 residues pruned to eliminate duplicates Z: 8 11.905 1.787 0.959 0.503 0.857 0.571 CB 1.494 9 residues pruned to eliminate duplicates Z: 15 19.383 1.781 0.982 0.832 0.857 0.500 CB 1.285 15 residues pruned to eliminate duplicates Z: 15 20.879 1.785 0.704 0.858 1.000 0.786 CB 1.351 15 residues pruned to eliminate duplicates Z: 16 20.817 1.739 0.849 0.859 0.933 0.333 CB 1.317 16 residues pruned to eliminate duplicates Z: 25 24.523 1.869 0.942 0.864 0.958 0.667 CB 1.055 26 residues pruned to eliminate duplicates Z: 8 5.562 1.752 0.481 0.451 0.857 0.571 CB 0.994 Z: 7 8.470 1.520 0.528 0.772 1.000 0.667 N 1.170 7 residues pruned to eliminate duplicates Z: 17 7.709 1.573 0.801 0.431 0.750 0.250 CB 0.974 9 residues pruned to eliminate duplicates Z: 7 3.351 1.419 0.682 0.679 0.833 0.833 CB 0.584 7 residues pruned to eliminate duplicates Z: 12 12.874 1.661 0.546 0.843 0.909 0.455 CB 1.238 12 residues pruned to eliminate duplicates Z: 20 12.074 1.791 0.692 0.832 0.789 0.579 CB 0.869 20 residues pruned to eliminate duplicates Z: 6 4.773 1.637 0.528 0.470 0.800 0.600 CB 1.099 Z: 17 9.344 1.791 0.682 0.432 0.812 0.625 CB 1.024 17 residues pruned to eliminate duplicates Z: 8 9.741 1.594 0.691 0.724 1.000 0.857 N 1.116 8 residues pruned to eliminate duplicates Z: 11 2.942 1.366 0.559 0.292 0.700 0.500 CB 0.788 Z: 7 5.574 1.557 0.893 0.669 1.000 0.333 CB 0.660 7 residues pruned to eliminate duplicates Z: 13 7.858 1.354 0.725 0.421 1.000 0.417 CA 1.055 Z: 15 12.888 1.715 0.585 0.874 0.857 0.571 CB 1.076 25 residues pruned to eliminate duplicates Z: 6 3.955 1.408 0.193 0.438 1.000 0.600 N 1.122 Z: 10 7.549 1.574 0.739 0.596 0.778 0.444 N 1.078 10 residues pruned to eliminate duplicates Z: 11 6.105 1.632 0.628 0.474 0.800 0.500 CB 0.932 7 residues pruned to eliminate duplicates Z: 7 3.580 1.627 0.232 0.351 0.833 0.833 N 1.028 Z: 9 13.893 1.726 0.906 0.681 1.000 0.500 CB 1.264 11 residues pruned to eliminate duplicates Z: 14 20.248 1.833 0.848 0.872 1.000 0.692 CB 1.208 14 residues pruned to eliminate duplicates Z: 6 4.259 1.445 0.614 0.448 0.800 0.800 CB 1.077 Z: 7 7.014 1.510 1.042 0.770 0.833 0.500 CB 0.878 7 residues pruned to eliminate duplicates Z: 20 19.013 1.727 0.906 0.883 0.842 0.579 CB 1.138 20 residues pruned to eliminate duplicates Z: 11 12.907 1.651 0.518 0.894 1.000 0.900 CB 1.168 11 residues pruned to eliminate duplicates Z: 17 20.581 1.651 0.586 0.878 1.000 0.875 CB 1.425 17 residues pruned to eliminate duplicates Z: 7 2.258 1.303 0.321 0.220 0.833 0.833 CB 0.892 5 residues pruned to eliminate duplicates Z: 8 4.665 1.583 0.718 0.423 0.571 0.571 CA 1.230 8 residues pruned to eliminate duplicates Z: 7 8.172 1.634 0.613 0.847 0.833 0.667 CA 1.128 8 residues pruned to eliminate duplicates Z: 6 4.209 1.589 0.238 0.563 1.000 0.800 CB 0.901 Z: 7 4.022 1.492 0.809 0.549 0.667 0.333 CB 0.869 Z: 9 15.118 1.652 0.819 0.900 1.000 0.750 N 1.271 10 residues pruned to eliminate duplicates Z: 6 2.787 1.409 0.801 0.838 0.800 0.600 CB 0.459 Z: 7 3.079 1.373 0.525 0.490 0.667 0.500 N 0.909 Z: 7 3.294 1.616 0.476 0.350 0.667 0.667 CB 0.995 Z: 16 18.243 1.767 0.565 0.829 0.933 0.600 CB 1.373 16 residues pruned to eliminate duplicates Z: 6 3.465 1.460 0.324 0.494 0.800 0.400 O 1.008 Z: 11 20.235 1.766 0.717 0.912 1.000 0.900 CA 1.495 11 residues pruned to eliminate duplicates Z: 17 22.560 1.715 1.124 0.868 0.938 0.625 CB 1.207 17 residues pruned to eliminate duplicates Z: 8 6.582 1.654 0.409 0.778 0.714 0.429 O 1.169 8 residues pruned to eliminate duplicates Z: 17 15.961 1.610 0.805 0.900 0.938 0.938 CB 1.046 17 residues pruned to eliminate duplicates Z: 8 2.538 1.695 0.059 0.862 1.000 1.000 CB 0.392 3 residues pruned to eliminate duplicates Z: 15 10.809 1.555 0.550 0.779 0.929 0.571 CB 1.009 15 residues pruned to eliminate duplicates Z: 17 19.164 1.681 0.741 0.832 1.000 0.688 CB 1.229 17 residues pruned to eliminate duplicates Z: 15 19.242 1.793 0.462 0.875 1.000 0.714 O 1.426 15 residues pruned to eliminate duplicates Z: 9 2.652 1.615 0.002 0.531 0.875 0.375 CB 0.643 Z: 9 11.303 1.522 1.088 0.684 0.875 0.625 CA 1.214 Z: 17 14.787 1.861 0.623 0.653 0.875 0.688 CB 1.212 17 residues pruned to eliminate duplicates Z: 20 14.652 1.713 0.820 0.523 0.842 0.632 CB 1.252 20 residues pruned to eliminate duplicates Z: 10 13.278 1.550 0.864 0.757 1.000 0.667 CB 1.219 9 residues pruned to eliminate duplicates Z: 11 14.435 1.687 0.404 0.860 1.000 0.900 CA 1.418 11 residues pruned to eliminate duplicates Z: 9 9.991 1.564 0.631 0.856 0.875 0.875 O 1.167 8 residues pruned to eliminate duplicates Z: 17 20.711 1.702 0.828 0.859 0.875 0.688 CB 1.399 17 residues pruned to eliminate duplicates Z: 9 11.271 1.636 0.725 0.797 1.000 0.750 N 1.089 12 residues pruned to eliminate duplicates Z: 18 14.101 1.516 0.771 0.764 0.941 0.824 CB 1.071 19 residues pruned to eliminate duplicates Z: 15 26.518 1.824 0.813 0.910 1.000 0.929 O 1.520 15 residues pruned to eliminate duplicates 7 1.566 1.590 0.373 0.326 0.667 0.333 CB 0.531 ? Z: 8 5.244 1.481 0.595 0.426 0.857 0.429 N 1.058 8 residues pruned to eliminate duplicates Z: 15 25.529 1.780 0.992 0.917 1.000 0.714 CB 1.358 16 residues pruned to eliminate duplicates Z: 7 8.895 1.414 0.760 0.853 1.000 0.833 CA 1.078 Z: 25 25.310 1.871 0.842 0.880 0.917 0.833 CB 1.185 25 residues pruned to eliminate duplicates Z: 11 14.350 1.719 0.873 0.842 0.900 0.700 CB 1.167 10 residues pruned to eliminate duplicates Z: 9 9.592 1.670 0.808 0.851 0.875 0.750 CB 0.950 9 residues pruned to eliminate duplicates Z: 7 7.308 1.588 1.020 0.779 0.833 0.667 CB 0.873 7 residues pruned to eliminate duplicates Z: 20 11.063 1.708 0.585 0.417 0.842 0.421 CB 1.215 20 residues pruned to eliminate duplicates Z: 10 15.285 1.729 0.730 0.882 1.000 1.000 CB 1.233 10 residues pruned to eliminate duplicates Z: 23 18.951 1.831 0.865 0.481 0.909 0.545 CB 1.327 16 residues pruned to eliminate duplicates Z: 26 15.798 1.661 0.648 0.789 0.920 0.520 CB 0.973 21 residues pruned to eliminate duplicates Z: 10 7.875 1.594 0.348 0.601 0.889 0.556 CB 1.249 10 residues pruned to eliminate duplicates Z: 8 2.914 1.349 0.198 0.494 0.714 0.571 CB 0.959 8 residues pruned to eliminate duplicates Z: 15 19.450 1.794 0.515 0.921 1.000 0.929 CB 1.346 15 residues pruned to eliminate duplicates Z: 7 12.736 1.873 0.883 0.883 1.000 0.833 CB 1.066 7 residues pruned to eliminate duplicates Z: 9 8.625 1.581 0.774 0.773 0.875 0.500 CB 0.977 9 residues pruned to eliminate duplicates Z: 8 10.655 1.571 0.584 0.869 1.000 0.857 CB 1.182 Z: 25 14.861 1.659 0.796 0.559 0.833 0.583 CB 1.153 20 residues pruned to eliminate duplicates Z: 7 2.873 1.421 0.663 0.415 0.667 0.500 CB 0.814 6 1.937 1.325 0.338 0.295 0.800 0.400 N 0.769 ? Z: 13 23.468 1.816 0.723 0.875 1.000 0.917 CA 1.575 13 residues pruned to eliminate duplicates Z: 9 16.259 1.762 1.096 0.860 1.000 0.750 CB 1.145 9 residues pruned to eliminate duplicates Z: 13 11.924 1.592 0.629 0.844 0.917 0.750 CB 1.078 13 residues pruned to eliminate duplicates Z: 7 3.799 1.436 0.580 0.695 0.667 0.500 CB 0.858 7 residues pruned to eliminate duplicates Z: 10 9.207 1.601 0.725 0.568 0.889 0.556 CB 1.170 7 residues pruned to eliminate duplicates Z: 20 14.508 1.739 0.860 0.762 0.789 0.316 CB 1.033 20 residues pruned to eliminate duplicates Z: 12 10.731 1.592 0.986 0.692 0.727 0.455 N 1.180 12 residues pruned to eliminate duplicates Z: 7 6.610 1.513 0.376 0.827 0.833 0.833 O 1.172 Z: 10 4.554 1.519 0.558 0.203 0.889 0.333 O 1.026 Z: 18 19.252 1.701 0.783 0.812 0.941 0.706 CB 1.247 18 residues pruned to eliminate duplicates Z: 6 4.998 1.487 0.287 0.607 1.000 0.800 CB 1.055 Z: 8 13.119 1.705 0.847 0.903 1.000 0.571 CB 1.122 Z: 6 3.061 1.451 0.400 0.771 0.600 0.400 CB 0.884 Z: 11 11.299 1.669 0.771 0.893 1.000 0.800 CB 0.868 11 residues pruned to eliminate duplicates Z: 6 4.498 1.472 0.492 0.384 0.800 0.600 CA 1.295 Z: 8 9.323 1.501 0.767 0.818 1.000 0.429 CB 1.008 8 residues pruned to eliminate duplicates Z: 6 2.604 1.417 0.275 0.406 0.800 0.400 N 0.890 Z: 7 10.979 1.695 0.642 0.714 1.000 0.833 CB 1.326 Z: 7 5.039 1.481 0.118 0.804 1.000 0.667 CB 0.953 Z: 7 6.170 1.401 0.460 0.849 1.000 0.833 CB 0.913 7 residues pruned to eliminate duplicates Z: 6 9.991 1.751 0.712 0.604 1.000 0.400 CB 1.351 Z: 6 6.327 1.370 0.422 0.791 1.000 0.800 CB 1.124 Z: 6 6.420 1.535 0.217 0.861 1.000 0.400 CB 1.129 Z: 7 2.651 1.575 0.161 0.245 0.667 0.333 CA 1.192 Z: 14 8.248 1.661 0.611 0.742 0.615 0.538 CB 1.119 14 residues pruned to eliminate duplicates Z: 7 3.235 1.428 0.683 0.224 0.667 0.667 O 1.139 Z: 15 18.854 1.719 1.148 0.818 0.857 0.714 CB 1.209 15 residues pruned to eliminate duplicates Z: 10 8.145 1.518 0.676 0.792 0.778 0.222 CB 1.062 10 residues pruned to eliminate duplicates Z: 9 13.232 1.689 0.696 0.903 1.000 0.750 CB 1.164 8 residues pruned to eliminate duplicates Z: 7 6.386 1.552 0.522 0.748 1.000 0.333 CB 0.885 7 residues pruned to eliminate duplicates Z: 7 4.096 1.629 0.214 0.466 0.833 0.500 CA 1.051 7 residues pruned to eliminate duplicates Z: 13 9.997 1.613 0.661 0.885 0.833 0.250 CB 0.933 13 residues pruned to eliminate duplicates Z: 9 2.370 1.455 0.443 0.145 0.625 0.125 N 0.990 Z: 8 6.134 1.463 0.353 0.668 0.857 0.571 O 1.170 8 residues pruned to eliminate duplicates Z: 9 11.765 1.689 0.949 0.653 1.000 0.625 CB 1.096 9 residues pruned to eliminate duplicates Z: 12 12.384 1.649 0.986 0.847 0.909 0.727 CB 0.930 11 residues pruned to eliminate duplicates Z: 15 17.133 1.663 0.856 0.808 0.929 0.500 CB 1.221 15 residues pruned to eliminate duplicates Z: 16 18.283 1.706 0.696 0.836 0.867 0.667 O 1.409 16 residues pruned to eliminate duplicates Z: 6 2.715 1.349 0.736 0.300 0.600 0.400 N 1.081 Z: 7 3.881 1.263 0.637 0.280 1.000 0.500 CB 0.983 Z: 6 5.110 1.497 0.320 0.810 1.000 0.800 CB 0.883 6 residues pruned to eliminate duplicates Z: 11 7.948 1.516 0.497 0.772 0.900 0.400 O 0.968 10 residues pruned to eliminate duplicates Z: 7 2.512 1.486 0.129 0.238 0.833 0.333 CB 0.994 Z: 7 8.202 1.691 0.820 0.819 1.000 1.000 CB 0.825 7 residues pruned to eliminate duplicates Z: 6 3.796 1.466 0.273 0.580 0.800 0.400 CB 1.053 6 0.485 1.062 0.327 0.240 0.600 0.400 CB 0.347 ? Z: 7 3.380 1.458 0.465 0.373 0.667 0.667 CB 1.110 7 residues pruned to eliminate duplicates Z: 6 2.674 1.518 0.114 0.422 0.600 0.400 N 1.279 Z: 37 15.517 1.720 0.579 0.412 0.833 0.500 CB 1.253 37 residues pruned to eliminate duplicates Z: 6 4.367 1.477 0.729 0.837 1.000 0.800 CB 0.572 6 residues pruned to eliminate duplicates Z: 17 14.019 1.656 0.638 0.647 0.938 0.688 CB 1.201 17 residues pruned to eliminate duplicates Z: 6 4.598 1.496 1.349 0.466 1.000 0.600 CB 0.606 Z: 7 9.785 1.719 1.082 0.879 1.000 0.833 CB 0.809 7 residues pruned to eliminate duplicates Z: 9 5.158 1.458 0.545 0.533 0.750 0.500 CB 1.045 7 residues pruned to eliminate duplicates Z: 7 2.255 1.485 0.407 0.226 0.833 0.167 CB 0.728 Z: 7 6.048 1.410 0.543 0.597 1.000 0.500 CB 1.034 7 residues pruned to eliminate duplicates Z: 22 22.357 1.670 0.849 0.826 1.000 0.476 CB 1.192 20 residues pruned to eliminate duplicates Z: 8 7.207 1.378 0.651 0.822 1.000 0.429 O 0.906 8 residues pruned to eliminate duplicates Z: 15 21.879 1.770 0.744 0.922 1.000 1.000 CB 1.332 15 residues pruned to eliminate duplicates Z: 9 4.211 1.485 0.750 0.652 0.750 0.750 CB 0.662 Z: 17 11.636 1.560 0.797 0.472 0.812 0.562 CB 1.314 18 residues pruned to eliminate duplicates Z: 10 17.209 1.662 1.168 0.883 1.000 0.778 CB 1.151 9 residues pruned to eliminate duplicates Z: 8 6.605 1.461 0.545 0.700 0.857 0.714 O 1.075 5 residues pruned to eliminate duplicates Z: 6 2.690 1.640 0.928 0.847 1.000 0.800 CB 0.282 Z: 7 4.472 1.344 0.527 0.509 0.833 0.500 N 1.058 Z: 27 13.403 1.711 0.697 0.649 0.846 0.231 CB 0.931 27 residues pruned to eliminate duplicates 6 0.859 1.258 -0.234 0.469 0.800 0.600 CB 0.515 ? Z: 9 2.231 1.339 0.642 0.227 0.500 0.375 N 0.987 Z: 8 14.573 1.673 0.946 0.881 1.000 0.857 N 1.225 8 residues pruned to eliminate duplicates Z: 9 2.586 1.429 0.186 0.439 0.750 0.500 CB 0.766 Z: 14 10.754 1.552 0.593 0.867 0.846 0.462 CB 1.043 14 residues pruned to eliminate duplicates Z: 6 4.822 1.735 0.371 0.587 0.800 0.600 CB 1.042 6 residues pruned to eliminate duplicates Z: 19 17.563 1.878 0.845 0.865 0.889 0.556 CB 0.985 19 residues pruned to eliminate duplicates Z: 12 7.159 1.622 0.784 0.295 0.727 0.364 N 1.291 Z: 8 5.900 1.408 0.624 0.855 1.000 0.714 CB 0.720 6 residues pruned to eliminate duplicates Z: 11 8.053 1.585 0.875 0.546 0.800 0.300 CB 1.024 11 residues pruned to eliminate duplicates Z: 6 2.727 1.159 0.231 0.502 1.000 0.400 N 0.853 Z: 10 11.978 1.697 0.488 0.919 0.889 0.889 O 1.254 10 residues pruned to eliminate duplicates Z: 13 7.683 1.587 0.706 0.503 0.833 0.667 CB 0.980 6 1.837 1.568 -0.177 0.404 0.800 0.600 CB 0.880 ? Z: 7 3.985 1.527 0.747 0.486 0.667 0.167 CB 0.928 7 residues pruned to eliminate duplicates Z: 14 18.187 1.736 0.837 0.866 1.000 0.923 CB 1.158 14 residues pruned to eliminate duplicates Z: 7 3.251 1.383 0.841 0.553 0.500 0.500 N 0.990 Z: 8 3.519 1.631 0.887 0.377 0.571 0.429 CB 0.863 Z: 9 3.748 1.594 0.176 0.598 0.750 0.500 CB 0.858 6 residues pruned to eliminate duplicates 385 residues left after pruning, divided into chains as follows: A: 14 B: 6 C: 9 D: 17 E: 10 F: 18 G: 15 H: 15 I: 15 J: 8 K: 16 L: 26 M: 35 N: 7 O: 16 P: 6 Q: 8 R: 27 S: 16 T: 6 U: 8 V: 25 W: 12 X: 9 Y: 31 Z: 10 CC for partial structure against native data = 35.27 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.482, Connect. = 0.705 for dens.mod. cycle 1 = 0.300, Contrast = 0.564, Connect. = 0.733 for dens.mod. cycle 2 = 0.299, Contrast = 0.663, Connect. = 0.764 for dens.mod. cycle 3 = 0.299, Contrast = 0.675, Connect. = 0.767 for dens.mod. cycle 4 = 0.299, Contrast = 0.687, Connect. = 0.769 for dens.mod. cycle 5 = 0.299, Contrast = 0.689, Connect. = 0.770 for dens.mod. cycle 6 = 0.299, Contrast = 0.693, Connect. = 0.772 for dens.mod. cycle 7 = 0.299, Contrast = 0.693, Connect. = 0.773 for dens.mod. cycle 8 = 0.299, Contrast = 0.694, Connect. = 0.774 for dens.mod. cycle 9 = 0.299, Contrast = 0.693, Connect. = 0.775 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1775 peaks > 0.5 sigma used to seed fragment search Space for about 738 unique residues taking solvent into account 452 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 24.852 1.805 0.773 0.888 1.000 0.812 CB 1.399 B: 19 18.906 1.924 0.492 0.827 0.944 0.722 CB 1.239 C: 14 23.150 1.879 0.831 0.884 1.000 0.923 CB 1.348 D: 17 25.251 1.930 0.771 0.911 1.000 0.688 CB 1.309 E: 26 18.264 1.941 0.531 0.524 0.880 0.560 CB 1.364 F: 17 26.657 1.958 0.824 0.913 0.938 0.750 CB 1.409 18 residues pruned to eliminate duplicates G: 17 29.916 1.977 0.946 0.929 0.938 0.750 CB 1.451 16 residues pruned to eliminate duplicates H: 16 13.715 1.749 0.298 0.841 0.933 0.800 CB 1.247 I: 12 19.446 1.844 0.831 0.884 0.909 0.818 CB 1.380 J: 8 20.895 1.889 1.004 0.861 1.000 0.857 CB 1.534 K: 17 20.951 1.754 0.847 0.926 1.000 0.875 CB 1.133 L: 41 21.600 1.870 0.632 0.508 0.875 0.650 CB 1.269 41 residues pruned to eliminate duplicates M: 12 17.643 1.859 0.893 0.890 0.909 0.545 CB 1.196 12 residues pruned to eliminate duplicates N: 16 24.187 1.864 0.744 0.861 0.933 0.667 CB 1.512 16 residues pruned to eliminate duplicates O: 9 13.719 1.754 0.997 0.826 1.000 0.625 CB 1.044 P: 25 32.018 2.069 0.394 0.899 1.000 0.833 CB 1.621 Q: 13 21.376 1.884 0.616 0.912 1.000 1.000 CA 1.436 13 residues pruned to eliminate duplicates R: 18 18.142 1.693 0.588 0.905 1.000 0.882 CB 1.165 18 residues pruned to eliminate duplicates S: 18 19.997 1.999 0.475 0.886 0.941 0.765 CB 1.260 19 residues pruned to eliminate duplicates T: 26 32.589 2.063 0.630 0.851 1.000 0.840 CB 1.435 25 residues pruned to eliminate duplicates U: 16 19.736 1.822 0.398 0.919 0.933 0.933 CB 1.511 16 residues pruned to eliminate duplicates V: 18 32.297 1.926 1.022 0.944 1.000 0.941 CB 1.392 18 residues pruned to eliminate duplicates W: 12 18.497 1.818 0.894 0.871 1.000 0.818 CB 1.181 12 residues pruned to eliminate duplicates X: 26 33.586 2.046 0.595 0.923 1.000 0.840 CB 1.447 26 residues pruned to eliminate duplicates Y: 26 37.267 2.067 0.675 0.925 1.000 0.840 CB 1.511 26 residues pruned to eliminate duplicates Z: 24 36.958 2.119 0.657 0.925 1.000 0.826 CB 1.541 25 residues pruned to eliminate duplicates Z: 9 12.484 1.843 0.512 0.756 0.875 0.625 N 1.442 Z: 16 17.836 1.777 0.695 0.872 1.000 0.733 CB 1.114 12 residues pruned to eliminate duplicates Z: 11 13.648 1.687 0.684 0.892 0.900 0.700 CB 1.213 11 residues pruned to eliminate duplicates Z: 8 14.906 1.819 0.904 0.881 1.000 0.714 CB 1.178 Z: 18 19.956 1.775 0.355 0.912 0.941 0.765 O 1.515 18 residues pruned to eliminate duplicates Z: 12 11.668 1.668 0.516 0.788 0.909 0.636 CB 1.189 12 residues pruned to eliminate duplicates Z: 25 32.923 2.084 0.522 0.909 1.000 0.833 CB 1.504 25 residues pruned to eliminate duplicates Z: 11 15.535 1.756 0.971 0.867 0.900 0.800 CB 1.154 Z: 25 35.820 2.091 0.629 0.902 1.000 0.750 CB 1.531 25 residues pruned to eliminate duplicates Z: 17 21.215 1.799 0.704 0.800 0.938 0.750 CB 1.419 17 residues pruned to eliminate duplicates Z: 6 2.621 1.692 -0.002 0.465 0.800 0.600 CB 0.899 Z: 9 14.583 2.028 0.649 0.563 0.875 0.750 CB 1.656 Z: 27 35.542 2.054 0.816 0.895 0.962 0.692 CB 1.393 27 residues pruned to eliminate duplicates Z: 8 12.874 1.856 0.713 0.795 1.000 0.714 CB 1.183 9 residues pruned to eliminate duplicates Z: 16 21.203 1.882 0.609 0.919 1.000 0.733 CB 1.275 11 residues pruned to eliminate duplicates Z: 16 15.046 1.717 0.367 0.889 1.000 0.800 CB 1.192 16 residues pruned to eliminate duplicates Z: 8 18.804 1.931 0.915 0.864 1.000 1.000 CB 1.409 8 residues pruned to eliminate duplicates Z: 20 19.638 1.976 0.429 0.855 0.947 0.895 CB 1.243 19 residues pruned to eliminate duplicates Z: 10 12.614 1.853 0.702 0.738 0.889 0.778 CB 1.212 9 residues pruned to eliminate duplicates Z: 10 3.959 1.726 0.880 0.151 0.556 0.222 N 1.124 Z: 16 19.761 1.947 0.667 0.907 0.933 0.733 CB 1.197 Z: 14 23.312 1.721 0.920 0.899 1.000 0.692 CB 1.399 16 residues pruned to eliminate duplicates Z: 16 15.745 1.760 0.356 0.901 0.933 0.733 CB 1.303 16 residues pruned to eliminate duplicates Z: 25 31.960 2.063 0.496 0.900 1.000 0.917 CB 1.510 25 residues pruned to eliminate duplicates Z: 22 30.231 1.912 0.735 0.857 1.000 0.905 CB 1.465 22 residues pruned to eliminate duplicates Z: 14 22.221 1.926 0.685 0.898 1.000 0.846 CB 1.359 14 residues pruned to eliminate duplicates Z: 16 22.624 1.960 0.779 0.798 0.933 0.800 CB 1.382 16 residues pruned to eliminate duplicates Z: 17 20.208 1.757 0.472 0.834 1.000 0.750 CB 1.465 17 residues pruned to eliminate duplicates Z: 20 23.179 1.968 0.525 0.860 1.000 0.789 CB 1.302 19 residues pruned to eliminate duplicates Z: 15 14.322 1.923 0.840 0.539 0.714 0.500 CB 1.458 14 residues pruned to eliminate duplicates Z: 9 10.867 1.733 0.593 0.756 1.000 0.625 CB 1.109 Z: 24 34.064 2.023 0.782 0.864 1.000 0.870 CB 1.445 24 residues pruned to eliminate duplicates Z: 8 12.779 1.853 0.513 0.840 1.000 0.714 CB 1.285 11 residues pruned to eliminate duplicates Z: 17 15.711 1.692 0.523 0.905 0.938 0.750 CB 1.158 17 residues pruned to eliminate duplicates Z: 9 10.666 1.899 0.347 0.658 1.000 0.625 CB 1.274 7 residues pruned to eliminate duplicates Z: 15 26.812 1.953 0.874 0.922 1.000 0.929 CB 1.377 16 residues pruned to eliminate duplicates Z: 16 19.173 1.877 0.458 0.921 1.000 0.667 CB 1.273 16 residues pruned to eliminate duplicates Z: 16 22.479 1.898 0.749 0.896 0.933 0.667 CB 1.342 16 residues pruned to eliminate duplicates Z: 17 24.078 1.782 0.874 0.895 1.000 0.875 CB 1.292 17 residues pruned to eliminate duplicates Z: 15 20.755 1.865 0.902 0.862 0.857 0.643 CB 1.340 15 residues pruned to eliminate duplicates Z: 16 15.278 1.698 0.670 0.800 0.933 0.733 CB 1.147 14 residues pruned to eliminate duplicates Z: 20 13.184 1.739 0.536 0.552 0.895 0.632 CB 1.203 9 residues pruned to eliminate duplicates Z: 13 19.800 1.885 0.567 0.900 1.000 0.750 CB 1.382 13 residues pruned to eliminate duplicates Z: 13 17.965 1.883 0.447 0.911 1.000 1.000 CA 1.349 13 residues pruned to eliminate duplicates Z: 8 9.604 1.765 0.304 0.888 1.000 0.857 CB 1.137 8 residues pruned to eliminate duplicates Z: 30 15.984 1.921 0.575 0.467 0.793 0.552 CB 1.278 12 residues pruned to eliminate duplicates Z: 13 22.144 1.900 0.740 0.921 1.000 0.833 CB 1.360 13 residues pruned to eliminate duplicates Z: 6 9.949 1.909 0.356 0.716 1.000 0.400 CB 1.414 7 residues pruned to eliminate duplicates Z: 19 23.104 1.800 0.652 0.914 1.000 0.833 CB 1.296 19 residues pruned to eliminate duplicates Z: 22 20.230 1.878 0.560 0.882 0.952 0.857 CB 1.146 19 residues pruned to eliminate duplicates Z: 16 22.024 1.912 0.544 0.926 1.000 0.933 CB 1.350 16 residues pruned to eliminate duplicates Z: 37 18.568 1.902 0.584 0.440 0.889 0.556 CB 1.230 35 residues pruned to eliminate duplicates Z: 14 24.359 1.875 0.964 0.883 1.000 0.769 CB 1.327 16 residues pruned to eliminate duplicates Z: 17 22.798 1.794 0.841 0.907 1.000 0.625 CB 1.226 17 residues pruned to eliminate duplicates Z: 14 20.627 1.773 1.086 0.894 1.000 0.385 CB 1.110 14 residues pruned to eliminate duplicates Z: 9 16.363 1.978 0.418 0.906 1.000 0.875 CB 1.467 9 residues pruned to eliminate duplicates Z: 17 15.052 1.913 0.383 0.845 0.938 0.812 CB 1.128 17 residues pruned to eliminate duplicates Z: 8 17.625 1.890 0.697 0.896 1.000 1.000 CB 1.487 8 residues pruned to eliminate duplicates Z: 14 21.576 1.961 0.405 0.921 1.000 0.923 CB 1.528 14 residues pruned to eliminate duplicates Z: 27 36.760 1.995 0.857 0.900 1.000 0.577 CB 1.389 27 residues pruned to eliminate duplicates Z: 28 18.703 1.980 0.655 0.461 0.889 0.593 CB 1.285 28 residues pruned to eliminate duplicates Z: 14 27.940 1.994 0.646 0.924 1.000 0.923 CB 1.658 14 residues pruned to eliminate duplicates Z: 27 35.621 1.986 0.743 0.905 1.000 0.808 CB 1.437 27 residues pruned to eliminate duplicates Z: 16 22.088 1.894 0.610 0.895 1.000 0.733 CB 1.341 16 residues pruned to eliminate duplicates Z: 27 36.853 2.075 0.692 0.866 1.000 0.846 CB 1.508 27 residues pruned to eliminate duplicates Z: 15 18.533 1.730 0.727 0.849 0.929 0.857 N 1.323 15 residues pruned to eliminate duplicates Z: 17 21.336 1.797 0.529 0.933 1.000 0.750 CB 1.355 17 residues pruned to eliminate duplicates Z: 11 19.225 1.880 0.898 0.916 1.000 0.900 CB 1.203 8 residues pruned to eliminate duplicates Z: 6 6.187 1.583 0.729 0.783 0.800 0.600 O 0.984 6 residues pruned to eliminate duplicates Z: 13 19.389 1.857 0.802 0.893 1.000 0.500 CB 1.201 13 residues pruned to eliminate duplicates Z: 6 14.024 1.791 0.816 0.783 1.000 0.800 CA 1.503 6 residues pruned to eliminate duplicates Z: 16 23.557 1.813 1.213 0.895 0.933 0.267 CB 1.164 16 residues pruned to eliminate duplicates Z: 9 13.903 1.619 0.938 0.872 1.000 0.875 N 1.142 Z: 10 7.251 1.897 0.534 0.847 1.000 1.000 CB 0.617 Z: 38 21.989 1.941 0.668 0.460 0.919 0.541 CB 1.265 38 residues pruned to eliminate duplicates Z: 11 16.379 1.721 0.717 0.878 1.000 0.700 CB 1.272 11 residues pruned to eliminate duplicates Z: 16 18.877 1.860 0.614 0.805 0.933 0.533 CB 1.333 16 residues pruned to eliminate duplicates Z: 10 8.909 1.883 0.676 0.443 0.667 0.667 CA 1.498 10 residues pruned to eliminate duplicates Z: 27 33.843 1.966 0.711 0.899 1.000 0.731 CB 1.410 27 residues pruned to eliminate duplicates Z: 13 15.707 1.841 0.764 0.839 0.917 0.750 CB 1.138 Z: 25 37.638 2.096 0.725 0.907 1.000 0.833 CB 1.510 25 residues pruned to eliminate duplicates Z: 16 16.934 1.852 0.544 0.897 0.933 0.800 CB 1.173 16 residues pruned to eliminate duplicates Z: 18 13.147 1.753 0.402 0.868 0.824 0.647 CB 1.152 10 residues pruned to eliminate duplicates Z: 7 12.763 1.860 0.767 0.563 1.000 0.667 CB 1.491 7 residues pruned to eliminate duplicates Z: 17 20.076 1.820 0.574 0.857 1.000 0.875 CB 1.291 17 residues pruned to eliminate duplicates Z: 19 15.460 1.696 0.529 0.862 0.889 0.722 CB 1.161 19 residues pruned to eliminate duplicates Z: 15 17.182 1.832 0.641 0.918 0.929 0.714 CB 1.160 16 residues pruned to eliminate duplicates Z: 16 16.350 1.886 0.248 0.906 1.000 0.867 CB 1.276 16 residues pruned to eliminate duplicates Z: 13 26.362 1.872 1.013 0.914 1.000 0.917 CB 1.428 13 residues pruned to eliminate duplicates Z: 7 11.145 1.776 0.702 0.729 0.833 0.667 CB 1.469 7 residues pruned to eliminate duplicates Z: 18 22.686 1.765 0.806 0.890 1.000 0.706 CB 1.242 17 residues pruned to eliminate duplicates Z: 25 21.682 1.853 0.734 0.878 0.958 0.833 CB 1.043 22 residues pruned to eliminate duplicates Z: 10 19.326 1.901 0.617 0.875 1.000 0.667 CB 1.523 10 residues pruned to eliminate duplicates Z: 9 15.819 1.751 0.781 0.784 1.000 0.625 N 1.396 8 residues pruned to eliminate duplicates Z: 26 27.953 2.035 0.459 0.867 0.960 0.920 CB 1.436 26 residues pruned to eliminate duplicates Z: 9 13.371 1.743 0.574 0.841 1.000 0.875 CB 1.285 9 residues pruned to eliminate duplicates Z: 18 23.853 1.994 0.550 0.862 1.000 0.824 CB 1.374 18 residues pruned to eliminate duplicates Z: 14 21.725 1.807 0.721 0.866 1.000 0.615 CA 1.418 14 residues pruned to eliminate duplicates Z: 24 20.106 1.935 0.654 0.560 0.870 0.609 CB 1.421 24 residues pruned to eliminate duplicates Z: 7 5.592 1.602 0.615 0.806 0.833 0.667 CB 0.811 6 residues pruned to eliminate duplicates Z: 8 19.173 1.932 0.864 0.867 1.000 0.714 CB 1.473 8 residues pruned to eliminate duplicates Z: 9 12.879 1.735 0.749 0.719 1.000 0.625 CB 1.231 10 residues pruned to eliminate duplicates Z: 16 27.469 1.816 0.863 0.945 1.000 0.667 CB 1.452 17 residues pruned to eliminate duplicates Z: 19 14.177 1.749 0.393 0.863 1.000 0.778 CB 1.006 19 residues pruned to eliminate duplicates Z: 11 20.406 1.869 0.801 0.918 1.000 0.500 CB 1.352 13 residues pruned to eliminate duplicates Z: 7 7.967 1.747 0.917 0.805 0.833 0.667 CB 0.893 7 residues pruned to eliminate duplicates Z: 18 10.406 1.917 0.547 0.415 0.824 0.471 CB 1.129 18 residues pruned to eliminate duplicates Z: 16 19.957 1.877 0.735 0.884 1.000 0.867 CB 1.142 16 residues pruned to eliminate duplicates Z: 8 4.154 1.651 0.170 0.297 0.857 0.429 N 1.190 8 residues pruned to eliminate duplicates Z: 8 10.009 1.666 0.386 0.796 1.000 0.429 CB 1.264 8 residues pruned to eliminate duplicates Z: 28 18.860 1.939 0.585 0.483 0.889 0.556 CB 1.351 29 residues pruned to eliminate duplicates Z: 9 10.413 1.860 0.799 0.677 1.000 0.750 CB 0.935 9 residues pruned to eliminate duplicates Z: 22 14.252 1.900 0.636 0.408 0.905 0.524 CB 1.218 22 residues pruned to eliminate duplicates Z: 9 8.586 1.597 1.008 0.509 0.875 0.500 CB 1.072 7 residues pruned to eliminate duplicates Z: 8 11.191 1.899 0.570 0.653 0.857 0.714 N 1.435 8 residues pruned to eliminate duplicates Z: 15 28.942 1.930 0.939 0.897 1.000 1.000 CB 1.479 15 residues pruned to eliminate duplicates Z: 16 21.034 1.746 0.987 0.876 1.000 0.600 CB 1.138 16 residues pruned to eliminate duplicates Z: 10 14.288 1.788 0.762 0.586 1.000 0.778 CB 1.391 10 residues pruned to eliminate duplicates Z: 25 29.067 2.101 0.445 0.901 0.958 0.833 CB 1.455 25 residues pruned to eliminate duplicates Z: 17 25.115 1.800 0.807 0.903 1.000 0.938 CB 1.376 15 residues pruned to eliminate duplicates Z: 9 12.655 1.649 0.717 0.895 1.000 1.000 CB 1.133 Z: 19 22.767 1.826 0.694 0.877 0.944 0.833 CB 1.333 19 residues pruned to eliminate duplicates Z: 11 6.602 1.593 0.551 0.463 0.900 0.600 CB 0.975 11 residues pruned to eliminate duplicates Z: 18 28.882 1.935 0.903 0.937 1.000 0.765 CB 1.324 18 residues pruned to eliminate duplicates Z: 9 6.381 1.695 0.314 0.481 0.875 0.500 CB 1.181 Z: 7 4.195 1.634 0.718 0.348 0.833 0.333 CB 0.863 Z: 6 5.702 1.628 0.453 0.674 1.000 1.000 CB 0.918 Z: 18 11.217 1.842 0.526 0.449 0.882 0.647 CB 1.156 18 residues pruned to eliminate duplicates Z: 26 23.630 1.777 0.580 0.872 1.000 0.800 CB 1.227 26 residues pruned to eliminate duplicates Z: 28 32.632 2.008 0.658 0.845 0.963 0.704 CB 1.456 28 residues pruned to eliminate duplicates Z: 10 8.596 1.804 0.249 0.888 1.000 0.889 CB 0.916 10 residues pruned to eliminate duplicates Z: 16 20.381 1.886 0.479 0.883 1.000 0.867 CB 1.365 16 residues pruned to eliminate duplicates Z: 10 16.372 1.869 0.631 0.899 1.000 0.778 CB 1.280 10 residues pruned to eliminate duplicates Z: 8 8.056 1.921 0.543 0.300 1.000 0.714 CB 1.284 8 residues pruned to eliminate duplicates Z: 6 5.719 1.670 0.279 0.803 1.000 0.600 CB 0.919 Z: 25 32.118 2.085 0.484 0.904 1.000 0.833 CB 1.509 25 residues pruned to eliminate duplicates Z: 6 2.307 1.601 -0.034 0.636 0.600 0.600 CB 0.979 Z: 7 2.221 1.447 0.278 0.230 0.667 0.333 N 1.007 13 residues pruned to eliminate duplicates Z: 11 18.979 1.864 1.016 0.910 1.000 0.900 CB 1.133 11 residues pruned to eliminate duplicates Z: 45 32.709 1.919 0.661 0.698 0.977 0.614 CB 1.321 40 residues pruned to eliminate duplicates Z: 24 19.838 1.979 0.793 0.567 0.870 0.652 CB 1.257 25 residues pruned to eliminate duplicates Z: 14 9.359 1.686 0.580 0.465 0.923 0.615 CB 1.095 Z: 25 20.592 1.813 0.726 0.882 1.000 0.833 CB 0.972 25 residues pruned to eliminate duplicates Z: 23 17.149 1.927 0.533 0.473 0.864 0.500 CB 1.472 23 residues pruned to eliminate duplicates Z: 16 16.039 1.810 0.496 0.801 0.933 0.733 CB 1.259 16 residues pruned to eliminate duplicates Z: 13 8.167 1.807 0.286 0.417 1.000 0.667 CB 1.107 13 residues pruned to eliminate duplicates Z: 23 20.741 1.891 0.571 0.831 0.955 0.773 CB 1.172 23 residues pruned to eliminate duplicates Z: 12 12.447 1.816 0.885 0.462 0.909 0.636 CB 1.253 12 residues pruned to eliminate duplicates Z: 17 15.075 1.777 0.730 0.821 0.875 0.625 CB 1.061 17 residues pruned to eliminate duplicates Z: 15 16.299 1.783 0.373 0.912 0.929 0.929 CB 1.357 16 residues pruned to eliminate duplicates Z: 15 13.070 1.869 0.379 0.608 0.929 0.500 CB 1.317 15 residues pruned to eliminate duplicates Z: 17 15.608 1.744 0.524 0.899 0.875 0.625 CB 1.199 17 residues pruned to eliminate duplicates Z: 11 9.816 1.542 0.881 0.835 0.900 0.800 CB 0.891 11 residues pruned to eliminate duplicates Z: 15 14.264 1.794 0.445 0.867 1.000 0.786 CB 1.075 15 residues pruned to eliminate duplicates Z: 12 20.516 1.742 1.050 0.847 1.000 0.455 CB 1.286 12 residues pruned to eliminate duplicates Z: 16 8.086 1.599 0.638 0.427 0.667 0.533 N 1.289 16 residues pruned to eliminate duplicates Z: 17 20.481 1.838 0.666 0.890 1.000 0.875 CB 1.204 17 residues pruned to eliminate duplicates Z: 16 7.624 1.620 0.508 0.324 0.867 0.533 CB 1.128 Z: 18 8.013 1.520 0.664 0.326 0.824 0.471 CB 1.130 14 residues pruned to eliminate duplicates Z: 16 19.720 1.822 0.697 0.911 1.000 0.867 CB 1.167 16 residues pruned to eliminate duplicates Z: 6 5.440 1.530 0.371 0.476 1.000 0.600 C 1.188 Z: 12 8.100 1.652 0.449 0.437 0.818 0.636 CB 1.332 11 residues pruned to eliminate duplicates Z: 7 6.292 1.828 0.832 0.883 1.000 0.833 CB 0.555 Z: 10 10.190 1.693 0.511 0.800 0.889 0.778 CB 1.149 10 residues pruned to eliminate duplicates Z: 8 10.841 1.690 0.352 0.876 1.000 1.000 N 1.303 8 residues pruned to eliminate duplicates Z: 38 23.375 1.947 0.627 0.492 0.919 0.568 CB 1.331 38 residues pruned to eliminate duplicates Z: 29 18.322 1.890 0.622 0.501 0.929 0.607 CB 1.215 29 residues pruned to eliminate duplicates Z: 12 2.731 1.525 0.221 0.378 0.727 0.636 CB 0.693 12 residues pruned to eliminate duplicates Z: 9 17.656 1.959 0.459 0.878 1.000 1.000 CB 1.585 9 residues pruned to eliminate duplicates Z: 6 8.518 1.828 0.790 0.855 0.800 0.800 CB 1.074 6 residues pruned to eliminate duplicates Z: 24 26.989 1.918 0.773 0.911 1.000 0.826 CB 1.172 25 residues pruned to eliminate duplicates Z: 16 15.442 1.780 0.237 0.921 1.000 0.800 CB 1.275 15 residues pruned to eliminate duplicates Z: 12 6.173 1.654 0.483 0.522 0.818 0.455 CB 0.908 6 residues pruned to eliminate duplicates Z: 6 7.513 1.955 0.405 0.793 0.800 0.600 CB 1.182 6 residues pruned to eliminate duplicates Z: 8 7.851 1.581 1.313 0.683 0.714 0.286 N 0.960 8 residues pruned to eliminate duplicates Z: 21 15.630 1.789 0.551 0.580 0.950 0.750 CB 1.228 21 residues pruned to eliminate duplicates Z: 38 22.896 1.967 0.631 0.459 0.919 0.595 CB 1.331 38 residues pruned to eliminate duplicates Z: 10 12.439 1.748 0.554 0.856 0.889 0.667 CB 1.266 10 residues pruned to eliminate duplicates Z: 10 4.252 1.587 0.383 0.507 0.778 0.667 CB 0.825 10 residues pruned to eliminate duplicates Z: 18 21.620 1.974 0.329 0.893 1.000 0.706 CB 1.436 18 residues pruned to eliminate duplicates Z: 8 5.731 1.462 0.573 0.546 1.000 0.429 CB 0.900 Z: 20 14.910 1.793 0.564 0.615 0.947 0.737 CB 1.155 20 residues pruned to eliminate duplicates Z: 24 10.741 1.817 0.597 0.411 0.870 0.478 CB 0.975 24 residues pruned to eliminate duplicates Z: 6 3.396 1.529 0.269 0.615 1.000 0.600 CB 0.702 Z: 11 5.159 1.589 0.456 0.409 0.800 0.400 CB 0.970 11 residues pruned to eliminate duplicates Z: 10 10.906 1.698 0.645 0.887 0.889 0.778 N 1.055 10 residues pruned to eliminate duplicates Z: 16 19.697 1.808 0.824 0.883 1.000 0.733 CB 1.115 17 residues pruned to eliminate duplicates Z: 27 32.226 2.072 0.705 0.873 0.962 0.808 CB 1.355 27 residues pruned to eliminate duplicates Z: 15 7.620 1.599 0.721 0.346 0.786 0.357 CB 1.113 15 residues pruned to eliminate duplicates Z: 22 18.904 1.805 0.967 0.542 0.762 0.571 CB 1.464 22 residues pruned to eliminate duplicates Z: 18 23.392 1.881 0.880 0.898 1.000 0.706 CB 1.148 18 residues pruned to eliminate duplicates Z: 7 9.383 1.588 1.100 0.719 1.000 0.333 CB 0.942 7 residues pruned to eliminate duplicates Z: 9 18.061 1.850 1.067 0.871 0.875 0.875 CA 1.392 9 residues pruned to eliminate duplicates Z: 6 8.410 1.516 0.490 0.793 1.000 0.800 CB 1.287 Z: 8 7.906 1.624 0.630 0.874 1.000 0.857 CB 0.821 8 residues pruned to eliminate duplicates Z: 7 2.923 1.400 0.724 0.332 0.833 0.500 CB 0.713 Z: 9 5.757 1.721 0.425 0.392 0.750 0.625 CB 1.241 9 residues pruned to eliminate duplicates Z: 6 3.018 1.656 0.882 0.796 0.800 0.600 CB 0.417 Z: 11 4.193 1.630 0.579 0.784 0.900 0.700 CB 0.446 Z: 6 3.014 1.572 0.239 0.804 1.000 0.800 CB 0.531 5 residues pruned to eliminate duplicates 7 1.673 1.647 0.013 0.293 0.667 0.333 CB 0.774 ? 6 0.883 0.912 0.684 0.328 0.600 0.200 CB 0.518 ? Z: 7 6.385 1.786 0.457 0.558 0.833 0.500 CB 1.136 7 residues pruned to eliminate duplicates Z: 9 5.878 1.520 0.432 0.483 0.875 0.500 O 1.111 Z: 6 3.272 1.659 0.434 0.467 0.800 0.600 CB 0.795 Z: 16 19.904 2.071 0.272 0.850 1.000 0.800 CB 1.445 16 residues pruned to eliminate duplicates Z: 8 8.250 1.748 0.382 0.797 0.714 0.571 CB 1.393 8 residues pruned to eliminate duplicates Z: 17 20.737 1.752 0.643 0.836 0.938 0.688 CB 1.438 11 residues pruned to eliminate duplicates Z: 11 3.125 1.427 0.212 0.698 0.900 0.500 CB 0.530 Z: 9 3.550 1.472 0.427 0.496 0.750 0.625 N 0.800 Z: 8 5.994 1.501 0.655 0.410 0.857 0.429 N 1.169 Z: 8 13.905 1.773 0.805 0.827 0.857 0.429 CB 1.444 8 residues pruned to eliminate duplicates Z: 6 3.417 1.506 0.307 0.336 0.800 0.400 O 1.161 Z: 39 23.806 1.930 0.662 0.474 0.921 0.474 CB 1.342 39 residues pruned to eliminate duplicates Z: 12 13.980 1.761 0.708 0.730 0.909 0.818 CA 1.253 12 residues pruned to eliminate duplicates Z: 18 19.801 1.776 0.570 0.896 1.000 0.824 CB 1.233 18 residues pruned to eliminate duplicates Z: 6 3.134 1.484 0.260 0.299 0.800 0.400 N 1.172 Z: 7 3.745 1.435 0.710 0.541 0.833 0.833 CB 0.718 Z: 6 3.103 1.524 0.587 0.348 0.800 0.400 CB 0.846 Z: 20 23.862 1.961 0.553 0.861 1.000 0.842 CB 1.321 21 residues pruned to eliminate duplicates 7 1.587 1.233 0.489 0.340 0.500 0.333 N 0.840 ? Z: 13 15.373 1.881 0.515 0.851 0.917 0.667 CB 1.258 13 residues pruned to eliminate duplicates Z: 26 18.770 1.901 0.687 0.513 0.880 0.520 CB 1.313 17 residues pruned to eliminate duplicates Z: 27 38.980 2.065 0.935 0.886 1.000 0.423 CB 1.381 27 residues pruned to eliminate duplicates Z: 16 20.556 1.877 1.071 0.861 0.867 0.600 CB 1.158 16 residues pruned to eliminate duplicates Z: 39 21.320 1.909 0.667 0.443 0.921 0.632 CB 1.251 39 residues pruned to eliminate duplicates Z: 21 15.927 1.676 0.573 0.774 0.900 0.600 CB 1.178 16 residues pruned to eliminate duplicates Z: 13 3.424 1.403 0.507 0.227 0.667 0.333 CB 0.964 13 residues pruned to eliminate duplicates Z: 18 14.586 1.759 0.507 0.836 0.941 0.647 CB 1.062 18 residues pruned to eliminate duplicates Z: 16 14.457 1.736 0.333 0.827 0.933 0.667 CB 1.302 17 residues pruned to eliminate duplicates Z: 14 17.656 1.807 0.527 0.894 1.000 0.692 CB 1.274 14 residues pruned to eliminate duplicates Z: 6 4.158 1.590 -0.012 0.893 1.000 1.000 CB 0.850 Z: 18 33.699 1.912 1.306 0.932 1.000 0.647 CB 1.294 18 residues pruned to eliminate duplicates Z: 8 5.454 1.508 0.399 0.461 0.857 0.429 CB 1.186 Z: 21 20.280 1.875 0.659 0.673 1.000 0.800 CB 1.243 16 residues pruned to eliminate duplicates Z: 12 17.818 1.782 0.880 0.857 0.909 0.545 CB 1.300 12 residues pruned to eliminate duplicates Z: 13 10.501 1.586 0.521 0.892 1.000 0.667 CB 0.903 9 residues pruned to eliminate duplicates Z: 13 17.848 1.639 0.870 0.898 1.000 0.833 CB 1.202 13 residues pruned to eliminate duplicates Z: 10 5.404 1.631 1.004 0.730 0.889 0.333 CB 0.504 10 residues pruned to eliminate duplicates Z: 11 2.910 1.571 0.590 0.389 0.700 0.400 CB 0.592 Z: 11 2.992 1.664 0.479 0.824 1.000 0.800 CB 0.290 11 residues pruned to eliminate duplicates Z: 24 15.025 1.730 0.471 0.633 0.957 0.652 CB 1.136 14 residues pruned to eliminate duplicates Z: 16 12.170 1.781 0.592 0.518 0.867 0.667 CB 1.256 16 residues pruned to eliminate duplicates Z: 7 5.266 1.539 0.109 0.798 1.000 0.833 CB 0.971 7 residues pruned to eliminate duplicates Z: 16 25.527 1.865 0.892 0.927 1.000 0.733 CB 1.309 16 residues pruned to eliminate duplicates Z: 8 5.284 1.431 0.796 0.842 1.000 0.714 CB 0.579 14 residues pruned to eliminate duplicates Z: 6 5.098 1.338 1.037 0.613 0.800 0.400 CB 0.939 Z: 28 16.401 1.921 0.573 0.418 0.852 0.593 CB 1.336 28 residues pruned to eliminate duplicates Z: 9 5.847 1.492 0.407 0.486 0.875 0.625 CB 1.142 8 residues pruned to eliminate duplicates Z: 16 18.453 1.932 0.883 0.804 0.867 0.800 CB 1.159 16 residues pruned to eliminate duplicates Z: 49 34.581 1.894 0.632 0.684 0.979 0.583 CB 1.392 46 residues pruned to eliminate duplicates Z: 6 6.642 1.939 0.339 0.647 0.800 0.800 CB 1.246 6 residues pruned to eliminate duplicates Z: 21 12.198 1.799 0.646 0.490 0.950 0.450 CB 0.980 21 residues pruned to eliminate duplicates Z: 7 4.308 1.321 0.551 0.776 1.000 0.667 CB 0.673 Z: 10 6.092 1.615 0.377 0.320 0.889 0.444 CB 1.253 Z: 10 11.305 1.555 0.553 0.883 1.000 0.889 CB 1.128 10 residues pruned to eliminate duplicates Z: 8 5.428 1.542 0.111 0.670 1.000 0.571 CA 1.024 4 residues pruned to eliminate duplicates Z: 7 7.512 1.927 0.567 0.465 0.667 0.500 CB 1.578 7 residues pruned to eliminate duplicates Z: 24 10.271 1.651 0.329 0.533 0.826 0.522 CB 1.144 27 residues pruned to eliminate duplicates Z: 8 2.262 1.651 0.439 0.279 0.571 0.571 CB 0.808 Z: 9 12.043 1.658 0.863 0.782 0.875 0.625 CB 1.228 9 residues pruned to eliminate duplicates Z: 6 2.286 1.330 0.645 0.854 1.000 0.800 CB 0.345 Z: 10 14.620 1.701 0.784 0.856 1.000 0.667 CB 1.184 9 residues pruned to eliminate duplicates Z: 8 5.008 1.430 0.505 0.532 0.857 0.429 CB 0.994 8 residues pruned to eliminate duplicates Z: 16 8.548 1.746 0.387 0.509 0.733 0.467 CB 1.231 16 residues pruned to eliminate duplicates Z: 17 34.148 1.940 1.163 0.916 1.000 0.688 CB 1.437 17 residues pruned to eliminate duplicates Z: 18 28.274 1.925 1.120 0.913 0.941 0.706 CB 1.264 18 residues pruned to eliminate duplicates Z: 9 6.186 1.819 0.352 0.377 0.750 0.500 CA 1.352 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 12 21.664 1.994 0.618 0.914 1.000 1.000 CA 1.433 12 residues pruned to eliminate duplicates Z: 13 22.092 1.896 0.714 0.923 1.000 1.000 CA 1.379 13 residues pruned to eliminate duplicates Z: 13 21.515 1.900 0.780 0.891 1.000 0.667 CB 1.320 13 residues pruned to eliminate duplicates Z: 10 20.339 2.052 0.586 0.818 1.000 1.000 CA 1.580 10 residues pruned to eliminate duplicates Z: 18 20.046 1.831 0.903 0.644 0.882 0.706 CB 1.383 20 residues pruned to eliminate duplicates Z: 13 23.455 1.860 0.946 0.887 1.000 0.750 CB 1.349 13 residues pruned to eliminate duplicates Z: 10 28.469 2.070 1.000 0.809 1.000 1.000 CA 1.751 10 residues pruned to eliminate duplicates Z: 44 29.745 1.871 0.765 0.659 0.884 0.698 CB 1.341 65 residues pruned to eliminate duplicates Z: 13 22.704 1.881 1.026 0.898 1.000 0.667 CB 1.230 13 residues pruned to eliminate duplicates Z: 14 21.579 1.806 0.948 0.848 1.000 0.769 CB 1.262 14 residues pruned to eliminate duplicates Z: 37 37.312 1.910 0.884 0.805 1.000 0.778 CB 1.325 37 residues pruned to eliminate duplicates Z: 13 22.509 1.929 0.714 0.910 1.000 0.917 CA 1.394 13 residues pruned to eliminate duplicates Z: 8 6.082 1.560 0.419 0.317 1.000 0.429 CA 1.270 8 residues pruned to eliminate duplicates Z: 15 6.371 1.524 0.417 0.262 0.857 0.571 CB 1.207 15 residues pruned to eliminate duplicates Z: 10 6.561 1.613 0.535 0.447 0.889 0.333 CB 1.049 10 residues pruned to eliminate duplicates Z: 8 5.853 1.600 0.534 0.363 0.857 0.571 CB 1.218 8 residues pruned to eliminate duplicates Z: 10 14.597 1.903 0.971 0.657 0.889 0.556 CB 1.262 11 residues pruned to eliminate duplicates Z: 8 16.744 1.919 0.933 0.819 1.000 0.714 CA 1.293 8 residues pruned to eliminate duplicates Z: 8 14.177 1.963 0.839 0.795 1.000 0.571 CB 1.146 8 residues pruned to eliminate duplicates Z: 9 7.991 1.890 0.618 0.535 0.750 0.625 CB 1.190 9 residues pruned to eliminate duplicates Z: 10 6.728 1.868 0.823 0.541 0.778 0.556 CB 0.813 10 residues pruned to eliminate duplicates Z: 11 13.562 1.843 0.953 0.646 0.900 0.500 CB 1.155 9 residues pruned to eliminate duplicates Z: 10 13.925 1.933 0.486 0.737 1.000 0.667 CB 1.307 10 residues pruned to eliminate duplicates Z: 30 27.728 1.985 0.596 0.785 0.966 0.724 CB 1.310 29 residues pruned to eliminate duplicates Z: 17 21.874 1.909 0.591 0.922 1.000 0.875 CB 1.266 17 residues pruned to eliminate duplicates Z: 34 30.748 1.902 0.834 0.795 0.970 0.636 CB 1.222 34 residues pruned to eliminate duplicates Z: 29 24.572 1.854 0.774 0.690 0.964 0.571 CB 1.231 29 residues pruned to eliminate duplicates Z: 37 25.609 1.846 0.584 0.731 0.917 0.639 CB 1.294 37 residues pruned to eliminate duplicates Z: 34 30.851 1.893 0.830 0.783 1.000 0.727 CB 1.209 34 residues pruned to eliminate duplicates Z: 34 31.768 1.913 0.695 0.774 1.000 0.758 CB 1.338 34 residues pruned to eliminate duplicates Z: 30 26.612 1.948 0.734 0.740 0.897 0.690 CB 1.316 30 residues pruned to eliminate duplicates Z: 34 32.314 1.911 0.720 0.797 0.970 0.606 CB 1.360 34 residues pruned to eliminate duplicates Z: 32 32.272 1.950 0.777 0.795 1.000 0.742 CB 1.292 32 residues pruned to eliminate duplicates Z: 32 30.409 1.931 0.751 0.803 0.968 0.645 CB 1.281 32 residues pruned to eliminate duplicates Z: 35 30.345 1.878 0.778 0.753 0.941 0.559 CB 1.321 35 residues pruned to eliminate duplicates Z: 34 33.049 1.895 0.888 0.807 1.000 0.727 CB 1.231 34 residues pruned to eliminate duplicates Z: 32 33.294 1.953 0.901 0.787 1.000 0.645 CB 1.252 32 residues pruned to eliminate duplicates Z: 17 31.046 1.948 1.165 0.902 1.000 0.438 CB 1.312 17 residues pruned to eliminate duplicates Z: 10 15.118 1.724 1.037 0.727 1.000 0.667 CB 1.169 9 residues pruned to eliminate duplicates Z: 10 11.873 1.667 0.901 0.785 0.889 0.667 CB 1.094 10 residues pruned to eliminate duplicates Z: 10 13.895 1.734 0.799 0.664 1.000 0.667 CB 1.276 10 residues pruned to eliminate duplicates Z: 10 12.850 1.723 0.749 0.683 1.000 0.778 CB 1.202 10 residues pruned to eliminate duplicates Z: 9 14.742 1.735 0.832 0.696 1.000 0.750 CB 1.370 9 residues pruned to eliminate duplicates Z: 9 11.830 1.769 0.796 0.651 0.875 0.625 CB 1.308 9 residues pruned to eliminate duplicates Z: 10 11.164 1.730 1.144 0.622 0.889 0.556 CB 1.005 10 residues pruned to eliminate duplicates Z: 8 13.379 1.847 0.689 0.720 1.000 0.857 CB 1.329 8 residues pruned to eliminate duplicates Z: 16 16.065 1.728 0.489 0.767 1.000 0.867 CB 1.272 16 residues pruned to eliminate duplicates Z: 34 28.912 1.846 0.855 0.758 0.939 0.727 CB 1.244 37 residues pruned to eliminate duplicates Z: 18 22.954 1.757 0.797 0.913 1.000 0.882 CB 1.248 19 residues pruned to eliminate duplicates Z: 16 17.448 1.759 0.555 0.917 1.000 0.933 CB 1.163 16 residues pruned to eliminate duplicates Z: 12 18.491 1.887 0.499 0.912 1.000 0.818 CB 1.397 12 residues pruned to eliminate duplicates Z: 12 17.387 1.835 0.687 0.722 1.000 0.727 CB 1.386 12 residues pruned to eliminate duplicates Z: 11 19.943 1.969 0.741 0.769 1.000 0.700 CB 1.450 11 residues pruned to eliminate duplicates Z: 34 31.381 1.874 0.843 0.762 1.000 0.758 CB 1.253 35 residues pruned to eliminate duplicates Z: 19 21.979 1.732 0.793 0.879 1.000 0.722 CB 1.210 17 residues pruned to eliminate duplicates Z: 19 20.044 1.722 0.626 0.880 1.000 0.889 CB 1.223 19 residues pruned to eliminate duplicates Z: 12 18.659 1.889 0.674 0.763 1.000 0.818 CB 1.408 12 residues pruned to eliminate duplicates Z: 12 24.608 1.880 0.958 0.916 1.000 1.000 CB 1.424 12 residues pruned to eliminate duplicates Z: 14 19.545 1.799 0.833 0.749 0.923 0.538 CB 1.426 14 residues pruned to eliminate duplicates Z: 15 21.954 1.778 0.851 0.857 1.000 0.571 CB 1.313 15 residues pruned to eliminate duplicates Z: 16 20.322 1.650 0.914 0.831 0.933 0.733 CB 1.338 16 residues pruned to eliminate duplicates Z: 14 12.279 1.645 0.666 0.799 0.846 0.692 CB 1.130 14 residues pruned to eliminate duplicates Z: 17 12.717 1.786 0.656 0.621 0.875 0.562 CB 1.096 17 residues pruned to eliminate duplicates Z: 17 17.136 1.817 0.646 0.755 0.875 0.750 CB 1.305 17 residues pruned to eliminate duplicates Z: 8 13.559 1.809 0.599 0.764 1.000 0.714 CB 1.401 8 residues pruned to eliminate duplicates Z: 57 35.260 1.932 0.640 0.714 0.929 0.714 CB 1.320 62 residues pruned to eliminate duplicates Z: 16 23.219 1.861 0.699 0.784 1.000 0.733 CB 1.477 17 residues pruned to eliminate duplicates Z: 16 18.867 1.837 0.505 0.828 0.933 0.600 CB 1.422 16 residues pruned to eliminate duplicates Z: 60 38.933 1.968 0.653 0.753 0.949 0.746 CB 1.310 58 residues pruned to eliminate duplicates Z: 16 22.879 1.817 0.739 0.828 1.000 0.733 CB 1.408 16 residues pruned to eliminate duplicates Z: 16 22.268 1.835 0.899 0.786 0.933 0.600 CB 1.375 16 residues pruned to eliminate duplicates Z: 65 40.799 1.923 0.701 0.720 0.969 0.688 CB 1.319 64 residues pruned to eliminate duplicates Z: 6 13.237 1.801 1.265 0.545 1.000 0.400 CB 1.389 6 residues pruned to eliminate duplicates Z: 16 22.654 1.849 0.806 0.786 0.933 0.800 CB 1.459 16 residues pruned to eliminate duplicates Z: 16 24.365 1.870 0.797 0.795 1.000 0.733 CB 1.445 16 residues pruned to eliminate duplicates Z: 16 20.680 1.846 0.494 0.862 0.933 0.800 CB 1.523 16 residues pruned to eliminate duplicates Z: 16 20.672 1.927 0.459 0.778 0.933 0.800 CB 1.592 16 residues pruned to eliminate duplicates Z: 16 23.797 1.835 0.584 0.851 1.000 0.667 O 1.565 16 residues pruned to eliminate duplicates Z: 17 22.190 1.937 0.617 0.772 1.000 0.688 CB 1.392 17 residues pruned to eliminate duplicates Z: 16 21.132 1.984 0.554 0.777 1.000 0.800 CB 1.385 16 residues pruned to eliminate duplicates Z: 14 27.843 2.041 0.626 0.903 1.000 0.769 CB 1.658 14 residues pruned to eliminate duplicates Z: 14 26.862 2.059 0.559 0.896 1.000 0.923 CB 1.663 14 residues pruned to eliminate duplicates Z: 16 22.307 1.868 0.480 0.792 1.000 0.733 CB 1.612 16 residues pruned to eliminate duplicates Z: 15 24.649 1.986 0.438 0.898 1.000 1.000 CB 1.650 15 residues pruned to eliminate duplicates Z: 15 27.064 2.012 0.525 0.905 1.000 0.786 CB 1.679 15 residues pruned to eliminate duplicates Z: 16 21.351 1.907 0.406 0.829 1.000 0.800 CB 1.547 16 residues pruned to eliminate duplicates Z: 16 27.481 1.971 0.690 0.753 1.000 0.733 CB 1.701 17 residues pruned to eliminate duplicates Z: 17 24.864 1.848 0.639 0.871 1.000 0.750 CB 1.496 16 residues pruned to eliminate duplicates Z: 16 22.709 1.895 0.773 0.895 1.000 0.933 CB 1.251 16 residues pruned to eliminate duplicates Z: 24 20.514 1.868 0.914 0.648 0.913 0.783 CB 1.142 24 residues pruned to eliminate duplicates Z: 29 23.558 1.861 0.918 0.642 0.929 0.714 CB 1.177 29 residues pruned to eliminate duplicates Z: 30 19.286 1.760 0.876 0.583 0.897 0.586 CB 1.118 30 residues pruned to eliminate duplicates Z: 19 22.998 1.897 0.950 0.712 1.000 0.722 CB 1.209 19 residues pruned to eliminate duplicates Z: 21 18.451 1.856 0.902 0.621 0.800 0.400 CB 1.304 21 residues pruned to eliminate duplicates Z: 18 21.431 1.866 0.907 0.794 1.000 0.647 CB 1.129 18 residues pruned to eliminate duplicates Z: 16 23.633 1.925 0.965 0.909 1.000 0.600 CB 1.145 16 residues pruned to eliminate duplicates Z: 21 19.819 1.857 0.894 0.712 0.900 0.600 CB 1.156 21 residues pruned to eliminate duplicates Z: 16 24.156 1.878 0.933 0.919 1.000 0.533 CB 1.211 16 residues pruned to eliminate duplicates Z: 34 28.981 1.823 0.996 0.780 0.909 0.576 CB 1.192 34 residues pruned to eliminate duplicates Z: 15 23.259 1.941 1.022 0.912 1.000 0.643 CB 1.121 15 residues pruned to eliminate duplicates Z: 16 22.552 1.891 1.018 0.867 1.000 0.667 CB 1.116 16 residues pruned to eliminate duplicates Z: 7 7.791 1.621 0.342 0.719 1.000 0.500 CB 1.199 7 residues pruned to eliminate duplicates Z: 9 9.113 1.566 0.630 0.727 0.875 0.500 CB 1.176 9 residues pruned to eliminate duplicates Z: 12 10.657 1.589 0.587 0.860 0.909 0.727 CB 1.031 12 residues pruned to eliminate duplicates Z: 11 12.414 1.594 0.588 0.866 1.000 0.800 CB 1.135 10 residues pruned to eliminate duplicates Z: 9 12.583 1.677 0.672 0.872 1.000 0.750 CB 1.156 9 residues pruned to eliminate duplicates Z: 9 10.375 1.643 0.773 0.775 0.875 0.750 CB 1.129 9 residues pruned to eliminate duplicates Z: 18 10.115 1.748 0.458 0.567 0.882 0.412 CB 1.023 18 residues pruned to eliminate duplicates Z: 6 3.867 1.543 0.289 0.436 0.800 0.400 N 1.161 8 residues pruned to eliminate duplicates Z: 12 11.114 1.778 0.505 0.649 0.909 0.636 CB 1.200 12 residues pruned to eliminate duplicates Z: 13 10.651 1.851 0.548 0.608 0.917 0.500 CB 1.057 13 residues pruned to eliminate duplicates Z: 15 11.958 1.820 0.537 0.667 0.929 0.500 CB 1.055 15 residues pruned to eliminate duplicates Z: 22 15.079 1.735 0.643 0.554 0.952 0.619 CB 1.150 16 residues pruned to eliminate duplicates Z: 13 15.108 1.656 0.650 0.838 1.000 0.583 CB 1.193 13 residues pruned to eliminate duplicates Z: 16 11.092 1.800 0.586 0.600 0.733 0.667 CB 1.244 16 residues pruned to eliminate duplicates Z: 15 13.749 1.822 0.757 0.666 0.857 0.571 CB 1.148 15 residues pruned to eliminate duplicates Z: 16 10.796 1.787 0.564 0.574 0.733 0.400 CB 1.267 16 residues pruned to eliminate duplicates Z: 17 14.309 1.767 0.741 0.546 0.938 0.562 CB 1.186 17 residues pruned to eliminate duplicates Z: 18 17.254 1.844 0.598 0.612 1.000 0.647 CB 1.278 18 residues pruned to eliminate duplicates Z: 20 21.680 1.959 0.500 0.884 1.000 0.789 CB 1.223 20 residues pruned to eliminate duplicates Z: 15 16.197 1.838 0.747 0.786 0.929 0.643 CB 1.129 15 residues pruned to eliminate duplicates Z: 17 18.087 1.959 0.300 0.867 1.000 0.875 CB 1.299 17 residues pruned to eliminate duplicates Z: 12 15.728 2.029 0.652 0.707 0.909 0.545 CB 1.289 13 residues pruned to eliminate duplicates Z: 16 22.797 2.013 0.603 0.883 0.933 0.733 CB 1.414 14 residues pruned to eliminate duplicates Z: 21 21.096 1.900 0.436 0.836 0.950 0.650 CB 1.362 20 residues pruned to eliminate duplicates Z: 18 20.598 1.970 0.414 0.841 0.941 0.706 CB 1.421 18 residues pruned to eliminate duplicates Z: 18 19.437 1.965 0.438 0.780 1.000 0.706 CB 1.303 18 residues pruned to eliminate duplicates Z: 18 23.032 1.970 0.516 0.854 1.000 0.824 CB 1.381 18 residues pruned to eliminate duplicates Z: 18 21.694 2.035 0.512 0.810 1.000 0.824 CB 1.305 18 residues pruned to eliminate duplicates Z: 19 22.385 1.923 0.561 0.796 0.944 0.778 CB 1.436 19 residues pruned to eliminate duplicates Z: 19 23.702 1.948 0.632 0.872 1.000 0.722 CB 1.281 19 residues pruned to eliminate duplicates Z: 19 18.196 1.942 0.780 0.743 0.833 0.778 CB 1.198 19 residues pruned to eliminate duplicates Z: 20 21.751 1.967 0.750 0.868 1.000 0.789 CB 1.060 20 residues pruned to eliminate duplicates Z: 20 19.749 1.958 0.740 0.771 0.842 0.632 CB 1.242 20 residues pruned to eliminate duplicates Z: 20 22.620 1.965 0.669 0.871 1.000 0.737 CB 1.155 20 residues pruned to eliminate duplicates Z: 35 26.744 1.926 0.854 0.677 0.882 0.618 CB 1.237 41 residues pruned to eliminate duplicates Z: 20 23.119 1.963 0.740 0.872 0.947 0.474 CB 1.195 20 residues pruned to eliminate duplicates Z: 6 3.100 1.465 0.277 0.633 1.000 0.200 CB 0.654 Z: 7 4.967 1.521 0.477 0.820 0.833 0.833 CB 0.821 6 residues pruned to eliminate duplicates Z: 7 4.241 1.507 0.577 0.801 0.833 0.667 CB 0.672 7 residues pruned to eliminate duplicates Z: 7 4.508 1.602 0.736 0.672 0.833 0.667 CB 0.677 14 residues pruned to eliminate duplicates Z: 7 7.726 1.608 0.714 0.844 1.000 0.500 CB 0.852 7 residues pruned to eliminate duplicates Z: 11 10.552 1.678 0.856 0.538 0.900 0.600 CB 1.147 11 residues pruned to eliminate duplicates Z: 39 23.448 1.938 0.792 0.477 0.895 0.632 CB 1.253 38 residues pruned to eliminate duplicates Z: 6 2.689 1.413 0.508 0.365 0.600 0.400 N 1.087 6 residues pruned to eliminate duplicates Z: 24 14.707 1.768 0.506 0.614 0.870 0.609 CB 1.189 24 residues pruned to eliminate duplicates Z: 37 24.697 1.960 0.793 0.471 0.889 0.528 CB 1.357 38 residues pruned to eliminate duplicates Z: 9 6.125 1.629 0.348 0.459 0.875 0.625 CB 1.175 9 residues pruned to eliminate duplicates Z: 39 22.549 1.934 0.662 0.475 0.921 0.605 CB 1.267 39 residues pruned to eliminate duplicates Z: 23 15.062 2.015 0.567 0.518 0.864 0.545 CB 1.157 23 residues pruned to eliminate duplicates Z: 42 22.850 1.895 0.518 0.549 0.927 0.610 CB 1.276 42 residues pruned to eliminate duplicates Z: 29 19.128 1.949 0.765 0.428 0.857 0.607 CB 1.321 29 residues pruned to eliminate duplicates Z: 38 22.559 1.963 0.767 0.457 0.838 0.486 CB 1.334 38 residues pruned to eliminate duplicates Z: 12 15.916 2.093 0.691 0.645 0.909 0.636 CB 1.303 12 residues pruned to eliminate duplicates Z: 39 26.059 1.956 0.819 0.467 0.921 0.500 CB 1.334 37 residues pruned to eliminate duplicates Z: 8 17.431 2.041 0.984 0.834 1.000 0.429 CB 1.219 8 residues pruned to eliminate duplicates Z: 26 17.185 1.961 0.669 0.465 0.880 0.440 CB 1.236 26 residues pruned to eliminate duplicates Z: 52 28.229 1.904 0.697 0.540 0.882 0.490 CB 1.333 52 residues pruned to eliminate duplicates Z: 39 23.100 1.925 0.753 0.460 0.974 0.500 CB 1.189 39 residues pruned to eliminate duplicates Z: 28 14.796 1.923 0.610 0.370 0.852 0.593 CB 1.241 28 residues pruned to eliminate duplicates Z: 39 24.166 1.925 0.783 0.491 0.921 0.553 CB 1.251 39 residues pruned to eliminate duplicates Z: 9 10.561 1.899 0.772 0.379 1.000 0.625 CB 1.262 9 residues pruned to eliminate duplicates Z: 31 19.709 1.910 0.569 0.480 0.900 0.533 CB 1.361 31 residues pruned to eliminate duplicates Z: 15 7.315 1.727 0.780 0.263 0.786 0.357 CB 1.061 15 residues pruned to eliminate duplicates Z: 12 7.379 1.801 0.690 0.210 0.727 0.364 CB 1.415 12 residues pruned to eliminate duplicates Z: 8 5.108 1.422 0.153 0.839 1.000 0.857 CB 0.880 6 residues pruned to eliminate duplicates Z: 7 5.357 1.419 0.356 0.818 1.000 1.000 CB 0.862 7 residues pruned to eliminate duplicates Z: 7 4.483 1.519 0.092 0.780 1.000 0.833 CB 0.863 8 residues pruned to eliminate duplicates Z: 7 5.172 1.514 0.356 0.777 1.000 0.667 CB 0.806 7 residues pruned to eliminate duplicates Z: 8 2.737 1.377 0.238 0.692 1.000 0.714 CB 0.509 8 residues pruned to eliminate duplicates Z: 16 11.034 1.755 0.408 0.602 0.800 0.533 CB 1.307 16 residues pruned to eliminate duplicates Z: 22 14.545 1.815 0.477 0.673 0.905 0.667 CB 1.115 33 residues pruned to eliminate duplicates Z: 17 14.351 1.808 0.481 0.693 0.938 0.688 CB 1.199 17 residues pruned to eliminate duplicates Z: 18 17.402 1.827 0.775 0.631 0.882 0.588 CB 1.305 18 residues pruned to eliminate duplicates Z: 15 16.557 1.912 0.649 0.692 0.857 0.429 CB 1.373 15 residues pruned to eliminate duplicates Z: 17 17.864 1.835 0.637 0.692 1.000 0.750 CB 1.247 17 residues pruned to eliminate duplicates Z: 17 16.064 1.831 0.643 0.677 0.938 0.500 CB 1.210 17 residues pruned to eliminate duplicates Z: 18 15.427 1.809 0.630 0.649 0.882 0.529 CB 1.252 18 residues pruned to eliminate duplicates Z: 15 17.149 1.901 0.842 0.581 0.857 0.429 CB 1.413 15 residues pruned to eliminate duplicates Z: 18 16.654 1.820 0.697 0.679 0.882 0.412 CB 1.257 18 residues pruned to eliminate duplicates Z: 14 17.967 1.850 0.666 0.826 0.923 0.538 CB 1.321 14 residues pruned to eliminate duplicates Z: 19 12.716 1.773 0.824 0.645 0.778 0.556 CB 1.041 19 residues pruned to eliminate duplicates Z: 16 17.586 1.693 0.978 0.797 0.867 0.867 CB 1.206 16 residues pruned to eliminate duplicates Z: 15 20.067 1.809 0.702 0.799 1.000 0.643 CB 1.341 15 residues pruned to eliminate duplicates Z: 23 11.183 1.579 0.653 0.507 0.909 0.727 CB 0.998 28 residues pruned to eliminate duplicates Z: 7 3.325 1.504 0.114 0.873 1.000 0.833 CB 0.590 7 residues pruned to eliminate duplicates Z: 18 10.659 1.617 0.812 0.550 0.882 0.824 CB 0.952 18 residues pruned to eliminate duplicates Z: 6 4.420 1.588 0.278 0.486 1.000 0.800 CB 0.988 6 residues pruned to eliminate duplicates Z: 12 8.494 1.579 0.474 0.615 0.818 0.727 N 1.207 Z: 9 10.231 1.606 0.298 0.855 1.000 1.000 CB 1.280 11 residues pruned to eliminate duplicates Z: 19 13.307 1.748 0.590 0.554 0.889 0.556 CB 1.205 10 residues pruned to eliminate duplicates Z: 16 10.996 1.644 0.592 0.696 0.867 0.600 CB 1.046 16 residues pruned to eliminate duplicates Z: 29 21.215 1.790 0.770 0.561 0.857 0.464 CB 1.392 48 residues pruned to eliminate duplicates Z: 16 11.141 1.724 0.515 0.593 0.800 0.533 CB 1.260 Z: 25 29.707 2.102 0.346 0.907 1.000 0.875 CB 1.524 25 residues pruned to eliminate duplicates Z: 48 32.895 1.984 0.603 0.764 0.936 0.702 CB 1.275 49 residues pruned to eliminate duplicates Z: 25 33.528 2.083 0.591 0.904 1.000 0.833 CB 1.472 25 residues pruned to eliminate duplicates Z: 47 37.195 1.991 0.688 0.784 0.978 0.717 CB 1.299 47 residues pruned to eliminate duplicates Z: 46 36.700 1.984 0.770 0.773 0.978 0.578 CB 1.251 46 residues pruned to eliminate duplicates Z: 22 26.488 2.046 0.732 0.706 1.000 0.619 CB 1.352 22 residues pruned to eliminate duplicates Z: 25 32.989 2.035 0.725 0.865 0.958 0.750 CB 1.467 25 residues pruned to eliminate duplicates Z: 23 34.765 2.064 0.656 0.890 1.000 0.909 CB 1.560 23 residues pruned to eliminate duplicates Z: 46 35.973 2.000 0.730 0.778 0.933 0.778 CB 1.299 46 residues pruned to eliminate duplicates Z: 27 33.539 2.041 0.772 0.839 0.962 0.577 CB 1.413 27 residues pruned to eliminate duplicates Z: 46 35.678 1.996 0.694 0.770 0.956 0.778 CB 1.296 46 residues pruned to eliminate duplicates Z: 32 27.239 1.982 0.551 0.738 0.968 0.742 CB 1.329 32 residues pruned to eliminate duplicates Z: 43 39.614 1.976 0.728 0.777 0.976 0.762 CB 1.437 43 residues pruned to eliminate duplicates Z: 26 33.860 2.021 0.823 0.835 0.960 0.640 CB 1.434 26 residues pruned to eliminate duplicates Z: 31 32.316 2.006 0.724 0.768 0.967 0.467 CB 1.392 31 residues pruned to eliminate duplicates Z: 24 36.501 2.087 0.729 0.921 1.000 0.870 CB 1.485 24 residues pruned to eliminate duplicates Z: 26 33.695 2.016 0.761 0.819 0.960 0.760 CB 1.500 26 residues pruned to eliminate duplicates Z: 30 31.437 2.021 0.665 0.796 0.966 0.655 CB 1.387 30 residues pruned to eliminate duplicates Z: 38 30.283 1.956 0.559 0.745 0.946 0.622 CB 1.386 38 residues pruned to eliminate duplicates Z: 29 33.838 2.062 0.663 0.816 1.000 0.679 CB 1.417 29 residues pruned to eliminate duplicates Z: 33 26.900 1.947 0.664 0.710 0.906 0.438 CB 1.338 33 residues pruned to eliminate duplicates Z: 43 34.138 1.952 0.668 0.743 0.952 0.762 CB 1.366 43 residues pruned to eliminate duplicates Z: 52 35.834 1.950 0.785 0.719 0.941 0.647 CB 1.256 52 residues pruned to eliminate duplicates Z: 59 39.922 1.928 0.737 0.675 0.966 0.603 CB 1.379 59 residues pruned to eliminate duplicates Z: 46 37.804 1.968 0.709 0.785 1.000 0.711 CB 1.304 46 residues pruned to eliminate duplicates Z: 15 15.738 1.887 0.252 0.912 1.000 1.000 CB 1.260 15 residues pruned to eliminate duplicates Z: 15 18.706 1.929 0.343 0.910 1.000 1.000 CB 1.369 15 residues pruned to eliminate duplicates Z: 22 17.189 1.891 0.427 0.741 0.905 0.857 CB 1.238 22 residues pruned to eliminate duplicates Z: 15 17.518 1.935 0.371 0.911 1.000 0.929 CB 1.251 15 residues pruned to eliminate duplicates Z: 16 19.229 1.888 0.489 0.853 1.000 1.000 CB 1.306 15 residues pruned to eliminate duplicates Z: 14 18.914 2.011 0.374 0.895 1.000 0.923 CB 1.361 14 residues pruned to eliminate duplicates Z: 16 18.666 1.899 0.405 0.876 1.000 1.000 CB 1.312 16 residues pruned to eliminate duplicates Z: 16 21.367 1.891 0.595 0.917 1.000 0.733 CB 1.290 16 residues pruned to eliminate duplicates Z: 20 18.437 1.877 0.720 0.687 0.895 0.684 CB 1.234 21 residues pruned to eliminate duplicates Z: 15 21.069 1.931 0.574 0.884 1.000 0.857 CB 1.340 14 residues pruned to eliminate duplicates Z: 17 20.724 1.785 0.705 0.919 1.000 0.812 CB 1.199 17 residues pruned to eliminate duplicates Z: 15 24.501 1.986 0.773 0.921 1.000 0.929 CB 1.309 15 residues pruned to eliminate duplicates Z: 46 35.378 1.997 0.646 0.772 0.956 0.778 CB 1.320 46 residues pruned to eliminate duplicates Z: 15 26.828 1.977 0.852 0.917 1.000 0.929 CB 1.381 15 residues pruned to eliminate duplicates Z: 10 4.037 1.695 0.314 0.360 0.778 0.556 CB 0.903 9 residues pruned to eliminate duplicates Z: 6 4.596 1.504 0.587 0.300 1.000 0.600 CB 1.077 Z: 6 2.573 1.579 0.520 0.412 0.800 0.800 CB 0.657 6 residues pruned to eliminate duplicates Z: 9 7.374 1.871 0.716 0.519 0.875 0.875 CB 0.910 9 residues pruned to eliminate duplicates Z: 8 8.667 1.887 0.786 0.702 0.857 0.714 CB 0.944 8 residues pruned to eliminate duplicates Z: 33 17.509 1.949 0.547 0.458 0.906 0.562 CB 1.183 33 residues pruned to eliminate duplicates Z: 30 16.481 1.851 0.695 0.357 0.897 0.414 CB 1.269 35 residues pruned to eliminate duplicates Z: 8 9.289 1.791 0.909 0.439 0.857 0.571 CB 1.276 8 residues pruned to eliminate duplicates Z: 27 19.499 1.963 0.663 0.478 0.923 0.654 CB 1.298 27 residues pruned to eliminate duplicates Z: 10 22.358 2.025 0.665 0.784 1.000 0.889 CB 1.722 10 residues pruned to eliminate duplicates Z: 29 22.287 1.963 0.744 0.506 0.929 0.679 CB 1.316 29 residues pruned to eliminate duplicates Z: 27 19.649 1.972 0.656 0.514 0.885 0.654 CB 1.316 27 residues pruned to eliminate duplicates Z: 33 21.115 1.881 0.745 0.501 0.938 0.500 CB 1.213 33 residues pruned to eliminate duplicates Z: 35 16.860 1.826 0.562 0.446 0.912 0.471 CB 1.175 35 residues pruned to eliminate duplicates Z: 27 19.697 1.977 0.747 0.516 0.885 0.654 CB 1.245 27 residues pruned to eliminate duplicates Z: 24 25.449 2.063 0.877 0.556 0.957 0.652 CB 1.356 24 residues pruned to eliminate duplicates Z: 8 22.347 1.929 1.044 0.845 1.000 0.714 CB 1.593 8 residues pruned to eliminate duplicates Z: 24 9.241 1.674 0.240 0.565 0.739 0.478 CB 1.179 24 residues pruned to eliminate duplicates Z: 11 17.004 1.962 0.522 0.869 0.900 0.500 CB 1.461 11 residues pruned to eliminate duplicates Z: 24 14.071 1.725 0.260 0.627 0.957 0.783 CB 1.252 23 residues pruned to eliminate duplicates Z: 15 18.868 1.793 0.470 0.918 1.000 0.857 CB 1.349 15 residues pruned to eliminate duplicates Z: 20 9.744 1.865 0.179 0.660 0.789 0.579 CB 1.110 20 residues pruned to eliminate duplicates Z: 17 16.213 1.851 0.499 0.648 0.938 0.750 CB 1.357 21 residues pruned to eliminate duplicates Z: 17 12.608 1.725 0.182 0.842 1.000 0.562 CB 1.152 17 residues pruned to eliminate duplicates Z: 19 12.356 1.732 0.304 0.609 0.889 0.556 CB 1.308 19 residues pruned to eliminate duplicates Z: 17 7.517 1.805 0.305 0.449 0.750 0.312 CB 1.120 17 residues pruned to eliminate duplicates Z: 18 12.932 1.815 0.453 0.668 0.824 0.647 CB 1.236 18 residues pruned to eliminate duplicates Z: 10 5.305 1.452 0.347 0.356 0.889 0.222 CA 1.188 10 residues pruned to eliminate duplicates Z: 13 6.154 1.545 0.236 0.719 0.917 0.583 CB 0.832 13 residues pruned to eliminate duplicates Z: 7 5.400 1.724 0.416 0.612 0.833 0.333 CB 0.974 7 residues pruned to eliminate duplicates Z: 7 6.844 1.600 0.610 0.632 0.833 0.500 CB 1.149 7 residues pruned to eliminate duplicates Z: 12 7.894 1.705 0.555 0.457 1.000 0.727 CB 0.938 12 residues pruned to eliminate duplicates Z: 11 9.020 1.709 0.516 0.529 1.000 0.800 CB 1.070 11 residues pruned to eliminate duplicates Z: 6 7.807 1.871 0.421 0.643 1.000 0.800 CB 1.148 6 residues pruned to eliminate duplicates Z: 21 16.889 1.887 0.659 0.712 0.800 0.650 CB 1.244 21 residues pruned to eliminate duplicates Z: 22 15.696 1.815 0.571 0.546 0.810 0.476 CB 1.419 22 residues pruned to eliminate duplicates Z: 19 19.623 1.882 0.790 0.702 0.778 0.556 CB 1.468 19 residues pruned to eliminate duplicates Z: 20 14.360 1.746 0.596 0.550 0.789 0.579 CB 1.427 16 residues pruned to eliminate duplicates Z: 9 7.342 1.535 0.900 0.348 0.875 0.375 O 1.199 7 residues pruned to eliminate duplicates Z: 18 15.177 1.798 0.536 0.805 0.824 0.706 CB 1.240 18 residues pruned to eliminate duplicates Z: 23 14.691 1.768 0.813 0.533 0.682 0.455 CB 1.388 23 residues pruned to eliminate duplicates Z: 26 16.675 1.803 0.866 0.555 0.680 0.360 CB 1.382 63 residues pruned to eliminate duplicates Z: 21 15.990 1.853 0.696 0.551 0.750 0.600 N 1.443 21 residues pruned to eliminate duplicates Z: 10 14.068 1.921 0.618 0.743 0.889 0.556 CB 1.366 10 residues pruned to eliminate duplicates Z: 16 16.268 1.836 0.693 0.712 0.867 0.667 CB 1.287 16 residues pruned to eliminate duplicates Z: 25 20.131 1.900 0.763 0.632 0.750 0.625 CB 1.445 25 residues pruned to eliminate duplicates Z: 17 13.545 1.941 0.804 0.657 0.625 0.500 CB 1.337 17 residues pruned to eliminate duplicates Z: 21 15.098 1.909 0.438 0.656 0.800 0.450 CB 1.329 21 residues pruned to eliminate duplicates Z: 21 15.494 1.865 0.510 0.662 0.850 0.450 CB 1.245 21 residues pruned to eliminate duplicates Z: 25 16.696 1.864 0.567 0.631 0.833 0.583 CB 1.238 25 residues pruned to eliminate duplicates Z: 49 23.638 1.917 0.553 0.563 0.875 0.604 CB 1.233 25 residues pruned to eliminate duplicates Z: 18 17.124 1.769 0.409 0.910 1.000 0.765 CB 1.182 18 residues pruned to eliminate duplicates Z: 24 14.610 1.800 0.538 0.695 0.870 0.652 CB 1.058 24 residues pruned to eliminate duplicates Z: 20 18.034 1.736 0.703 0.737 0.895 0.579 CB 1.264 20 residues pruned to eliminate duplicates Z: 39 18.974 1.787 0.510 0.675 0.842 0.474 CB 1.152 39 residues pruned to eliminate duplicates Z: 25 13.745 1.872 0.324 0.762 0.792 0.708 CB 1.133 25 residues pruned to eliminate duplicates Z: 10 7.855 1.784 0.382 0.344 0.889 0.556 CB 1.415 6 residues pruned to eliminate duplicates Z: 8 11.975 1.784 0.857 0.697 1.000 0.286 CB 1.141 8 residues pruned to eliminate duplicates Z: 7 8.891 1.863 0.608 0.401 0.833 0.333 O 1.614 7 residues pruned to eliminate duplicates Z: 11 11.763 1.692 0.838 0.679 0.900 0.400 CB 1.127 14 residues pruned to eliminate duplicates Z: 9 14.549 1.738 0.886 0.906 1.000 0.500 CB 1.116 9 residues pruned to eliminate duplicates Z: 13 9.898 1.665 0.778 0.613 0.917 0.667 CB 0.946 13 residues pruned to eliminate duplicates Z: 13 11.737 1.691 0.832 0.568 0.917 0.500 CB 1.117 10 residues pruned to eliminate duplicates Z: 9 14.302 1.647 0.935 0.859 1.000 0.875 CB 1.168 10 residues pruned to eliminate duplicates 426 residues left after pruning, divided into chains as follows: A: 6 B: 7 C: 10 D: 36 E: 10 F: 36 G: 14 H: 21 I: 7 J: 28 K: 64 L: 52 M: 12 N: 17 O: 93 P: 13 CC for partial structure against native data = 41.10 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.299, Contrast = 0.499, Connect. = 0.716 for dens.mod. cycle 1 = 0.299, Contrast = 0.573, Connect. = 0.742 for dens.mod. cycle 2 = 0.299, Contrast = 0.673, Connect. = 0.769 for dens.mod. cycle 3 = 0.299, Contrast = 0.682, Connect. = 0.770 for dens.mod. cycle 4 = 0.299, Contrast = 0.691, Connect. = 0.771 for dens.mod. cycle 5 = 0.299, Contrast = 0.692, Connect. = 0.772 for dens.mod. cycle 6 = 0.299, Contrast = 0.695, Connect. = 0.773 for dens.mod. cycle 7 = 0.299, Contrast = 0.695, Connect. = 0.774 for dens.mod. cycle 8 = 0.299, Contrast = 0.695, Connect. = 0.775 for dens.mod. cycle 9 = 0.299, Contrast = 0.694, Connect. = 0.775 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1765 peaks > 0.5 sigma used to seed fragment search Space for about 738 unique residues taking solvent into account 450 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 26 23.235 1.881 0.578 0.812 0.960 0.680 CB 1.243 B: 27 31.027 2.083 0.430 0.874 1.000 0.769 CB 1.486 C: 18 23.255 1.873 0.641 0.875 1.000 0.765 CB 1.335 D: 25 34.922 2.080 0.629 0.920 1.000 0.875 CB 1.481 26 residues pruned to eliminate duplicates E: 16 22.311 1.900 0.589 0.906 1.000 0.867 CB 1.357 F: 17 24.980 1.913 0.602 0.891 1.000 0.875 CB 1.465 16 residues pruned to eliminate duplicates G: 15 21.027 1.923 0.757 0.888 0.929 0.857 CB 1.291 H: 25 13.637 1.906 0.363 0.388 0.875 0.708 CB 1.379 I: 18 23.466 1.794 0.630 0.872 1.000 0.647 CB 1.418 17 residues pruned to eliminate duplicates J: 14 15.620 1.791 0.366 0.917 1.000 0.692 CB 1.250 K: 12 19.859 1.786 0.938 0.852 1.000 0.545 CB 1.280 L: 7 15.046 2.052 0.380 0.855 1.000 0.833 CB 1.600 M: 18 25.089 1.777 0.908 0.906 0.941 0.765 CB 1.356 16 residues pruned to eliminate duplicates N: 16 21.815 1.941 0.875 0.919 1.000 0.867 CB 1.091 O: 16 27.408 1.783 1.019 0.909 1.000 0.867 CB 1.395 P: 16 27.828 1.894 0.855 0.919 1.000 0.933 CB 1.442 16 residues pruned to eliminate duplicates Q: 26 24.474 2.036 0.203 0.871 0.960 0.880 CB 1.519 25 residues pruned to eliminate duplicates R: 16 21.086 1.772 0.614 0.860 1.000 0.867 CA 1.400 16 residues pruned to eliminate duplicates S: 15 25.774 1.937 0.751 0.923 1.000 0.929 CB 1.427 15 residues pruned to eliminate duplicates T: 16 25.534 1.809 1.060 0.816 0.933 0.800 CA 1.440 18 residues pruned to eliminate duplicates U: 21 16.186 1.989 0.411 0.794 0.950 0.800 CB 1.049 21 residues pruned to eliminate duplicates V: 7 16.159 2.000 0.499 0.888 1.000 1.000 N 1.586 7 residues pruned to eliminate duplicates W: 16 21.271 1.903 0.613 0.863 1.000 0.600 CB 1.312 15 residues pruned to eliminate duplicates X: 10 14.796 1.961 0.968 0.900 1.000 0.778 CB 0.913 Y: 16 23.296 1.906 0.749 0.889 1.000 0.667 CB 1.299 16 residues pruned to eliminate duplicates Z: 8 11.044 1.764 1.044 0.644 0.714 0.714 O 1.417 Z: 15 21.071 2.002 0.479 0.893 0.929 0.857 CB 1.470 15 residues pruned to eliminate duplicates Z: 28 28.251 1.909 0.418 0.871 1.000 0.815 CB 1.465 28 residues pruned to eliminate duplicates Z: 7 3.536 1.591 0.413 0.349 0.833 0.500 CB 0.907 Z: 16 20.305 1.828 0.650 0.795 0.933 0.600 CB 1.439 16 residues pruned to eliminate duplicates Z: 11 11.167 1.784 0.446 0.862 0.900 0.800 CB 1.117 7 residues pruned to eliminate duplicates Z: 17 23.303 1.818 0.763 0.893 1.000 0.938 CB 1.305 17 residues pruned to eliminate duplicates Z: 28 32.243 2.027 0.683 0.847 0.963 0.630 CB 1.402 28 residues pruned to eliminate duplicates Z: 19 14.990 1.981 0.404 0.534 0.833 0.500 CB 1.474 12 residues pruned to eliminate duplicates Z: 18 23.672 1.899 0.587 0.940 1.000 1.000 CB 1.322 10 residues pruned to eliminate duplicates Z: 56 22.583 1.892 0.536 0.491 0.891 0.618 CB 1.187 46 residues pruned to eliminate duplicates Z: 17 19.106 2.035 0.461 0.883 0.938 0.812 CB 1.239 18 residues pruned to eliminate duplicates Z: 27 32.872 2.074 0.636 0.859 0.923 0.769 CB 1.515 27 residues pruned to eliminate duplicates Z: 14 22.481 1.945 0.590 0.920 1.000 0.846 CB 1.420 14 residues pruned to eliminate duplicates Z: 7 16.965 1.992 0.972 0.826 1.000 0.833 CB 1.330 Z: 28 33.510 2.042 0.481 0.881 1.000 0.852 CB 1.543 27 residues pruned to eliminate duplicates Z: 16 22.834 1.817 0.888 0.912 1.000 0.800 CB 1.217 16 residues pruned to eliminate duplicates Z: 7 12.081 1.993 0.284 0.893 1.000 0.833 CB 1.384 7 residues pruned to eliminate duplicates Z: 25 24.993 1.878 0.545 0.866 1.000 0.833 CB 1.287 25 residues pruned to eliminate duplicates Z: 16 24.192 1.929 0.982 0.912 1.000 0.800 CB 1.158 17 residues pruned to eliminate duplicates Z: 21 9.619 1.949 0.394 0.273 0.800 0.600 CB 1.279 Z: 10 16.895 1.874 0.516 0.906 0.889 0.556 CB 1.587 10 residues pruned to eliminate duplicates Z: 8 16.145 2.080 0.380 0.825 1.000 0.714 CB 1.605 11 residues pruned to eliminate duplicates Z: 15 19.371 1.822 1.168 0.873 0.786 0.500 CB 1.215 15 residues pruned to eliminate duplicates Z: 9 4.658 1.840 1.041 0.651 1.000 0.625 CB 0.381 Z: 12 16.077 1.820 0.731 0.860 0.909 0.545 CB 1.244 12 residues pruned to eliminate duplicates Z: 17 14.901 1.977 0.554 0.722 0.875 0.625 CB 1.134 17 residues pruned to eliminate duplicates Z: 20 26.781 1.810 0.782 0.879 1.000 0.684 CB 1.381 20 residues pruned to eliminate duplicates Z: 24 19.918 1.942 0.330 0.846 1.000 0.826 CB 1.195 22 residues pruned to eliminate duplicates Z: 29 35.388 1.965 0.761 0.877 1.000 0.893 CB 1.403 29 residues pruned to eliminate duplicates Z: 27 28.469 2.072 0.367 0.883 0.962 0.846 CB 1.482 27 residues pruned to eliminate duplicates Z: 11 9.376 1.862 0.580 0.460 0.800 0.600 CA 1.312 8 residues pruned to eliminate duplicates Z: 19 16.846 1.829 0.513 0.779 0.889 0.667 CB 1.261 19 residues pruned to eliminate duplicates Z: 10 17.479 1.941 0.626 0.895 1.000 0.889 CB 1.324 Z: 12 11.870 1.572 0.467 0.826 1.000 0.818 CB 1.170 Z: 31 19.214 1.932 0.527 0.466 0.900 0.533 CB 1.368 28 residues pruned to eliminate duplicates Z: 14 20.356 1.925 0.578 0.947 1.000 1.000 CB 1.284 14 residues pruned to eliminate duplicates Z: 28 33.531 2.010 0.639 0.868 1.000 0.741 CB 1.431 28 residues pruned to eliminate duplicates Z: 9 11.053 1.880 0.218 0.893 1.000 1.000 CB 1.225 8 residues pruned to eliminate duplicates Z: 10 12.236 1.782 0.454 0.836 1.000 0.889 CB 1.178 10 residues pruned to eliminate duplicates Z: 20 12.704 1.745 0.635 0.428 0.842 0.579 CB 1.308 Z: 15 13.280 1.737 0.840 0.649 0.714 0.500 CB 1.353 15 residues pruned to eliminate duplicates Z: 9 11.767 1.772 0.512 0.876 0.875 0.750 CB 1.289 9 residues pruned to eliminate duplicates Z: 8 15.426 1.935 0.718 0.658 1.000 0.714 CB 1.515 8 residues pruned to eliminate duplicates Z: 16 23.450 1.917 0.732 0.924 1.000 0.800 CB 1.280 15 residues pruned to eliminate duplicates Z: 26 28.848 2.052 0.352 0.898 0.960 0.800 CB 1.550 26 residues pruned to eliminate duplicates Z: 8 15.956 1.863 0.893 0.861 1.000 0.714 CB 1.256 8 residues pruned to eliminate duplicates Z: 11 20.407 1.844 0.858 0.869 1.000 0.600 CA 1.376 11 residues pruned to eliminate duplicates Z: 7 4.867 1.534 0.817 0.812 0.833 0.667 CB 0.652 Z: 28 32.984 2.062 0.577 0.867 0.926 0.667 CB 1.542 28 residues pruned to eliminate duplicates Z: 12 23.026 1.906 0.720 0.907 1.000 0.636 CA 1.505 12 residues pruned to eliminate duplicates Z: 28 34.788 2.069 0.649 0.844 1.000 0.852 CB 1.460 27 residues pruned to eliminate duplicates Z: 10 9.368 1.770 0.806 0.437 0.778 0.444 CA 1.340 Z: 45 28.403 1.907 0.548 0.694 0.886 0.682 CB 1.371 28 residues pruned to eliminate duplicates Z: 10 11.482 1.863 0.499 0.895 1.000 1.000 CB 0.982 10 residues pruned to eliminate duplicates Z: 18 27.904 1.933 0.794 0.934 1.000 0.941 CB 1.360 18 residues pruned to eliminate duplicates Z: 28 34.762 2.004 0.808 0.858 1.000 0.630 CB 1.360 28 residues pruned to eliminate duplicates Z: 24 22.785 1.889 0.637 0.825 0.957 0.609 CB 1.212 24 residues pruned to eliminate duplicates Z: 16 17.415 1.844 0.471 0.869 0.933 0.800 CB 1.297 16 residues pruned to eliminate duplicates Z: 27 30.170 2.063 0.420 0.858 1.000 0.846 CB 1.488 27 residues pruned to eliminate duplicates Z: 13 17.588 1.761 0.857 0.888 0.833 0.583 CA 1.342 13 residues pruned to eliminate duplicates Z: 8 13.102 2.056 0.328 0.890 1.000 1.000 CB 1.305 8 residues pruned to eliminate duplicates Z: 15 14.278 1.788 0.383 0.873 0.929 0.786 CB 1.211 Z: 11 16.761 1.791 0.871 0.914 1.000 1.000 CB 1.118 11 residues pruned to eliminate duplicates Z: 15 19.250 1.861 0.595 0.793 0.929 0.786 CB 1.444 15 residues pruned to eliminate duplicates Z: 16 19.543 1.750 0.826 0.905 1.000 0.800 CB 1.123 16 residues pruned to eliminate duplicates Z: 14 12.617 1.730 0.367 0.838 0.923 0.615 CB 1.198 14 residues pruned to eliminate duplicates Z: 17 21.663 1.777 0.675 0.914 0.938 0.812 CB 1.373 17 residues pruned to eliminate duplicates Z: 28 36.040 2.063 0.526 0.882 1.000 0.778 CB 1.594 28 residues pruned to eliminate duplicates Z: 16 23.460 1.891 0.792 0.856 0.933 0.667 CB 1.412 16 residues pruned to eliminate duplicates Z: 28 33.080 2.019 0.516 0.870 1.000 0.889 CB 1.518 28 residues pruned to eliminate duplicates Z: 10 21.811 1.945 0.854 0.872 1.000 0.667 CB 1.470 10 residues pruned to eliminate duplicates Z: 28 31.456 2.035 0.820 0.809 0.889 0.519 CB 1.404 28 residues pruned to eliminate duplicates Z: 16 19.234 1.826 0.564 0.819 1.000 0.600 CB 1.319 16 residues pruned to eliminate duplicates Z: 28 27.851 2.028 0.397 0.853 1.000 0.704 CB 1.398 28 residues pruned to eliminate duplicates Z: 12 16.288 1.793 0.696 0.912 1.000 0.818 CB 1.144 12 residues pruned to eliminate duplicates Z: 27 18.991 2.017 0.605 0.483 0.923 0.615 CB 1.268 29 residues pruned to eliminate duplicates Z: 17 21.190 2.067 0.480 0.851 0.938 0.688 CB 1.367 17 residues pruned to eliminate duplicates Z: 16 10.200 1.682 0.468 0.390 0.867 0.533 CB 1.383 16 residues pruned to eliminate duplicates Z: 29 14.886 1.864 0.484 0.341 0.857 0.464 CB 1.411 29 residues pruned to eliminate duplicates Z: 16 12.472 1.816 0.653 0.677 0.867 0.733 CB 1.052 11 residues pruned to eliminate duplicates Z: 16 16.586 1.797 0.430 0.888 0.933 0.867 CB 1.287 13 residues pruned to eliminate duplicates Z: 7 10.407 1.627 0.822 0.851 1.000 0.833 CB 1.061 7 residues pruned to eliminate duplicates Z: 17 22.936 1.840 0.625 0.834 1.000 0.750 CB 1.437 18 residues pruned to eliminate duplicates Z: 18 15.055 1.788 0.627 0.545 0.882 0.588 CB 1.361 8 residues pruned to eliminate duplicates Z: 44 17.823 1.872 0.577 0.451 0.884 0.558 CB 1.095 50 residues pruned to eliminate duplicates Z: 12 15.290 1.840 0.447 0.925 1.000 0.818 CB 1.215 12 residues pruned to eliminate duplicates Z: 27 11.195 1.876 0.539 0.319 0.731 0.500 CB 1.270 27 residues pruned to eliminate duplicates Z: 39 25.468 1.982 0.715 0.473 0.921 0.632 CB 1.356 43 residues pruned to eliminate duplicates Z: 16 26.466 1.817 1.021 0.893 1.000 0.800 CB 1.336 16 residues pruned to eliminate duplicates Z: 13 15.564 1.738 0.756 0.881 1.000 0.417 CB 1.066 13 residues pruned to eliminate duplicates Z: 19 30.336 1.824 1.225 0.935 0.944 0.667 CB 1.301 18 residues pruned to eliminate duplicates Z: 15 16.431 1.846 0.541 0.891 1.000 0.714 CB 1.109 15 residues pruned to eliminate duplicates Z: 16 18.342 1.887 0.441 0.922 1.000 0.933 CB 1.224 16 residues pruned to eliminate duplicates Z: 17 18.798 1.869 0.704 0.922 1.000 0.938 CB 1.038 17 residues pruned to eliminate duplicates Z: 27 31.085 1.937 0.777 0.904 1.000 0.885 CB 1.262 27 residues pruned to eliminate duplicates Z: 8 3.074 1.803 0.509 0.831 0.857 0.857 CB 0.375 Z: 26 21.335 1.891 0.690 0.855 0.920 0.600 CB 1.071 26 residues pruned to eliminate duplicates Z: 17 22.427 1.878 0.729 0.876 1.000 0.750 CB 1.255 17 residues pruned to eliminate duplicates Z: 7 8.707 1.559 0.673 0.724 1.000 0.667 CB 1.114 Z: 28 30.144 2.024 0.425 0.872 1.000 0.815 CB 1.467 28 residues pruned to eliminate duplicates Z: 16 23.673 1.923 0.805 0.892 0.933 0.800 CB 1.356 16 residues pruned to eliminate duplicates Z: 15 26.453 1.919 0.709 0.930 1.000 0.929 CA 1.508 15 residues pruned to eliminate duplicates Z: 15 17.946 1.843 0.806 0.923 0.929 0.786 CB 1.090 15 residues pruned to eliminate duplicates Z: 16 19.932 1.941 0.633 0.919 1.000 0.933 CB 1.145 16 residues pruned to eliminate duplicates Z: 17 20.779 1.751 0.529 0.872 1.000 0.750 CB 1.414 17 residues pruned to eliminate duplicates Z: 9 9.433 1.684 0.415 0.843 1.000 0.750 CB 1.041 9 residues pruned to eliminate duplicates Z: 24 11.712 1.731 0.459 0.404 0.826 0.478 CB 1.295 21 residues pruned to eliminate duplicates Z: 27 27.086 1.992 0.375 0.904 0.962 0.885 CB 1.437 27 residues pruned to eliminate duplicates Z: 8 10.726 1.984 0.210 0.856 1.000 0.714 CB 1.245 8 residues pruned to eliminate duplicates Z: 7 7.916 1.800 0.444 0.531 0.833 0.500 CB 1.447 7 residues pruned to eliminate duplicates Z: 13 20.322 1.797 0.612 0.935 1.000 0.833 CB 1.411 13 residues pruned to eliminate duplicates Z: 6 3.186 1.623 0.190 0.431 0.800 0.600 CB 0.991 Z: 26 26.101 2.027 0.200 0.906 1.000 0.960 CB 1.527 26 residues pruned to eliminate duplicates Z: 8 7.174 1.593 0.578 0.906 1.000 0.857 CB 0.767 7 residues pruned to eliminate duplicates Z: 19 28.868 1.840 0.972 0.868 1.000 0.778 CB 1.371 21 residues pruned to eliminate duplicates Z: 11 11.631 1.712 0.270 0.842 1.000 0.700 CB 1.261 11 residues pruned to eliminate duplicates Z: 19 23.752 1.977 0.697 0.751 1.000 0.833 CB 1.333 20 residues pruned to eliminate duplicates Z: 21 22.311 1.954 0.748 0.655 0.900 0.650 CB 1.405 20 residues pruned to eliminate duplicates Z: 17 19.114 1.769 0.435 0.899 0.938 0.938 CB 1.435 17 residues pruned to eliminate duplicates Z: 8 15.515 1.825 0.683 0.873 1.000 0.714 CB 1.391 Z: 7 15.939 2.041 0.550 0.832 1.000 0.833 CB 1.544 7 residues pruned to eliminate duplicates Z: 8 4.434 1.850 0.306 0.838 1.000 0.714 CB 0.519 Z: 25 17.441 1.978 0.488 0.503 0.875 0.583 CB 1.378 25 residues pruned to eliminate duplicates Z: 9 9.318 1.752 0.707 0.497 0.875 0.625 CA 1.263 9 residues pruned to eliminate duplicates Z: 26 24.262 2.029 0.326 0.872 0.960 0.760 CB 1.369 26 residues pruned to eliminate duplicates 6 1.886 1.575 0.572 0.445 0.800 0.400 CB 0.451 ? Z: 14 16.279 1.706 0.519 0.882 1.000 0.769 CB 1.260 Z: 10 5.265 1.467 0.880 0.437 0.778 0.444 CB 0.872 Z: 15 6.576 1.533 0.427 0.323 0.786 0.500 CB 1.243 Z: 10 10.001 1.701 0.847 0.457 0.889 0.667 CB 1.247 10 residues pruned to eliminate duplicates Z: 12 14.874 1.738 0.946 0.838 0.909 0.909 CB 1.090 12 residues pruned to eliminate duplicates Z: 25 25.191 1.909 0.706 0.900 1.000 0.917 CB 1.128 25 residues pruned to eliminate duplicates Z: 18 24.574 1.915 0.540 0.919 1.000 0.941 CB 1.425 18 residues pruned to eliminate duplicates Z: 11 13.515 1.641 0.442 0.912 1.000 0.700 CB 1.279 11 residues pruned to eliminate duplicates Z: 10 3.709 1.420 0.275 0.328 0.778 0.667 CB 1.060 Z: 14 13.980 1.843 0.207 0.882 1.000 0.846 CB 1.260 14 residues pruned to eliminate duplicates Z: 16 24.873 1.931 1.203 0.893 1.000 0.467 CB 1.084 16 residues pruned to eliminate duplicates Z: 15 21.445 1.935 0.632 0.934 1.000 0.929 CB 1.266 15 residues pruned to eliminate duplicates Z: 16 28.126 1.880 0.957 0.904 1.000 0.800 CB 1.406 16 residues pruned to eliminate duplicates Z: 14 16.687 1.657 0.605 0.928 1.000 1.000 CB 1.219 14 residues pruned to eliminate duplicates Z: 10 17.023 1.779 0.795 0.840 1.000 0.667 CB 1.327 10 residues pruned to eliminate duplicates Z: 12 11.002 1.642 0.554 0.671 0.909 0.727 CB 1.222 12 residues pruned to eliminate duplicates Z: 28 27.989 2.006 0.369 0.842 0.963 0.852 CB 1.517 28 residues pruned to eliminate duplicates Z: 16 8.713 1.835 0.389 0.478 0.733 0.600 CB 1.231 16 residues pruned to eliminate duplicates Z: 17 24.583 1.821 0.634 0.860 1.000 0.812 CB 1.519 15 residues pruned to eliminate duplicates Z: 16 19.122 1.813 0.466 0.874 1.000 0.800 CA 1.352 16 residues pruned to eliminate duplicates Z: 6 2.505 1.406 0.337 0.849 0.800 0.800 CB 0.553 Z: 17 19.992 1.798 0.634 0.779 0.938 0.625 CB 1.419 17 residues pruned to eliminate duplicates Z: 13 12.664 1.629 0.970 0.845 1.000 0.583 CB 0.847 13 residues pruned to eliminate duplicates Z: 21 18.751 1.798 0.613 0.669 1.000 0.850 CB 1.236 15 residues pruned to eliminate duplicates Z: 6 8.516 1.833 0.132 0.883 1.000 1.000 CB 1.327 6 residues pruned to eliminate duplicates Z: 26 14.384 1.929 0.419 0.447 0.840 0.480 CB 1.322 26 residues pruned to eliminate duplicates Z: 10 7.564 1.573 0.504 0.451 0.889 0.222 N 1.261 8 residues pruned to eliminate duplicates Z: 11 18.033 2.193 0.591 0.739 1.000 0.700 CB 1.319 11 residues pruned to eliminate duplicates Z: 8 3.237 1.704 -0.037 0.457 0.714 0.571 CB 1.090 Z: 17 16.389 1.767 0.404 0.806 0.938 0.750 CB 1.349 17 residues pruned to eliminate duplicates Z: 8 13.367 1.785 0.699 0.889 1.000 0.857 CB 1.199 8 residues pruned to eliminate duplicates Z: 9 12.991 1.747 0.966 0.764 1.000 0.750 CB 1.058 9 residues pruned to eliminate duplicates Z: 7 12.621 2.042 0.323 0.839 1.000 0.667 CB 1.424 7 residues pruned to eliminate duplicates Z: 34 20.903 1.958 0.515 0.502 0.939 0.606 CB 1.304 34 residues pruned to eliminate duplicates Z: 12 18.849 1.799 0.565 0.877 1.000 0.727 CA 1.466 12 residues pruned to eliminate duplicates Z: 24 25.182 1.956 0.440 0.865 0.957 0.826 CB 1.428 24 residues pruned to eliminate duplicates Z: 14 20.268 1.940 0.571 0.930 1.000 1.000 CB 1.290 14 residues pruned to eliminate duplicates Z: 9 3.641 1.567 0.549 0.284 0.750 0.250 CB 0.902 Z: 11 12.935 1.724 0.457 0.846 0.900 0.700 CB 1.344 11 residues pruned to eliminate duplicates Z: 20 20.876 1.833 0.516 0.809 1.000 0.737 CB 1.317 20 residues pruned to eliminate duplicates Z: 11 4.348 1.698 0.766 0.215 0.600 0.400 CB 1.069 Z: 29 35.003 1.975 0.686 0.872 1.000 0.679 CB 1.448 29 residues pruned to eliminate duplicates Z: 27 17.266 1.878 0.636 0.498 0.846 0.500 CB 1.305 27 residues pruned to eliminate duplicates Z: 13 16.603 1.707 0.748 0.788 0.917 0.500 CB 1.361 13 residues pruned to eliminate duplicates Z: 15 22.502 1.904 0.641 0.929 1.000 0.929 CB 1.347 15 residues pruned to eliminate duplicates Z: 18 20.771 1.885 0.318 0.910 1.000 0.882 CB 1.438 18 residues pruned to eliminate duplicates Z: 10 8.277 1.505 0.269 0.711 1.000 0.556 CB 1.193 9 residues pruned to eliminate duplicates Z: 9 4.605 1.506 0.271 0.309 0.875 0.625 N 1.201 10 residues pruned to eliminate duplicates Z: 6 3.332 1.384 0.419 0.823 1.000 1.000 CB 0.574 Z: 8 14.106 1.940 1.080 0.843 1.000 0.714 CB 0.984 8 residues pruned to eliminate duplicates Z: 6 3.721 1.607 0.934 0.791 0.800 0.600 CB 0.519 6 residues pruned to eliminate duplicates Z: 10 5.979 1.710 0.483 0.773 1.000 0.889 CB 0.617 Z: 25 24.693 1.920 0.615 0.879 1.000 0.792 CB 1.179 25 residues pruned to eliminate duplicates Z: 21 14.139 1.744 0.728 0.364 0.850 0.600 CB 1.429 24 residues pruned to eliminate duplicates Z: 16 19.083 1.756 0.781 0.936 1.000 0.867 CB 1.097 16 residues pruned to eliminate duplicates Z: 14 17.551 1.828 0.496 0.856 0.923 0.769 CB 1.422 14 residues pruned to eliminate duplicates Z: 9 5.904 1.502 0.668 0.856 1.000 0.375 CB 0.614 6 residues pruned to eliminate duplicates Z: 8 6.615 1.653 0.457 0.773 1.000 0.857 CB 0.815 5 residues pruned to eliminate duplicates Z: 8 3.036 1.635 -0.100 0.406 0.857 0.429 CB 1.004 8 residues pruned to eliminate duplicates Z: 7 7.836 1.672 0.918 0.857 1.000 0.667 CB 0.735 7 residues pruned to eliminate duplicates Z: 13 17.346 1.727 0.644 0.905 1.000 1.000 CB 1.256 13 residues pruned to eliminate duplicates Z: 16 11.103 1.760 0.332 0.842 0.867 0.733 CB 1.051 16 residues pruned to eliminate duplicates Z: 12 9.111 1.731 0.890 0.389 0.727 0.636 CB 1.299 12 residues pruned to eliminate duplicates Z: 6 8.461 1.559 0.674 0.831 1.000 0.600 CB 1.089 6 residues pruned to eliminate duplicates Z: 6 9.543 1.630 1.142 0.790 0.800 0.400 N 1.185 Z: 12 21.861 1.868 0.723 0.907 1.000 0.545 N 1.456 12 residues pruned to eliminate duplicates Z: 6 6.128 1.605 0.882 0.493 0.800 0.800 N 1.142 Z: 10 12.246 1.792 0.566 0.757 1.000 0.778 CA 1.158 10 residues pruned to eliminate duplicates Z: 18 13.470 1.839 0.373 0.674 0.882 0.647 CB 1.249 18 residues pruned to eliminate duplicates Z: 9 7.435 1.592 0.832 0.386 0.875 0.875 CB 1.163 Z: 9 4.456 1.672 0.462 0.594 0.875 0.500 CB 0.673 6 residues pruned to eliminate duplicates Z: 7 6.333 1.414 0.951 0.510 1.000 0.500 N 0.928 Z: 16 16.254 1.832 0.574 0.790 0.867 0.733 CB 1.302 16 residues pruned to eliminate duplicates Z: 9 5.993 1.662 0.389 0.470 0.875 0.375 CB 1.082 9 residues pruned to eliminate duplicates Z: 26 11.104 1.717 0.528 0.345 0.880 0.480 CB 1.138 26 residues pruned to eliminate duplicates Z: 45 21.720 1.877 0.651 0.577 0.818 0.545 CB 1.199 43 residues pruned to eliminate duplicates Z: 20 16.328 1.852 0.372 0.821 0.947 0.737 CB 1.178 20 residues pruned to eliminate duplicates Z: 8 2.976 1.336 0.614 0.381 0.714 0.286 CB 0.829 Z: 25 26.609 1.944 0.662 0.898 1.000 0.833 CB 1.202 25 residues pruned to eliminate duplicates Z: 17 25.387 1.778 1.247 0.880 1.000 0.438 CB 1.151 17 residues pruned to eliminate duplicates 6 1.509 1.255 0.388 0.506 1.000 0.400 C 0.385 ? Z: 7 5.378 1.500 0.622 0.819 1.000 0.833 CB 0.684 6 residues pruned to eliminate duplicates Z: 8 4.478 1.623 0.516 0.269 0.714 0.286 CB 1.252 8 residues pruned to eliminate duplicates Z: 8 2.647 1.745 0.146 0.800 1.000 0.571 CB 0.385 Z: 18 23.707 1.929 0.712 0.792 1.000 0.824 CB 1.347 18 residues pruned to eliminate duplicates Z: 13 15.810 1.676 0.590 0.890 1.000 0.917 CB 1.232 13 residues pruned to eliminate duplicates Z: 10 13.307 1.794 0.631 0.806 0.889 0.778 CB 1.305 10 residues pruned to eliminate duplicates Z: 29 17.175 1.978 0.608 0.484 0.786 0.536 CB 1.319 29 residues pruned to eliminate duplicates Z: 9 2.879 1.443 0.461 0.281 0.750 0.375 CB 0.824 Z: 9 12.148 1.855 0.440 0.881 0.875 0.750 CB 1.331 9 residues pruned to eliminate duplicates Z: 12 5.270 1.516 0.760 0.326 0.727 0.455 N 0.992 Z: 17 19.415 1.953 0.763 0.810 0.938 0.875 CB 1.148 17 residues pruned to eliminate duplicates Z: 17 14.751 1.777 0.411 0.825 0.938 0.750 CB 1.183 17 residues pruned to eliminate duplicates Z: 9 3.712 1.415 0.340 0.200 0.875 0.500 O 1.130 Z: 8 4.251 1.756 0.022 0.424 0.714 0.571 CB 1.356 8 residues pruned to eliminate duplicates Z: 15 11.365 1.723 0.391 0.812 0.929 0.643 CB 1.041 15 residues pruned to eliminate duplicates Z: 11 17.814 1.819 0.732 0.892 1.000 0.900 CA 1.285 11 residues pruned to eliminate duplicates Z: 14 14.109 1.834 0.390 0.896 1.000 0.923 CB 1.100 14 residues pruned to eliminate duplicates Z: 6 2.893 1.230 0.373 0.658 0.800 0.600 CB 0.827 Z: 16 24.743 1.803 0.926 0.908 1.000 0.867 CB 1.307 16 residues pruned to eliminate duplicates Z: 24 27.148 2.042 0.431 0.831 1.000 0.826 CB 1.456 24 residues pruned to eliminate duplicates 6 1.017 1.556 0.058 0.426 0.600 0.400 CB 0.497 ? Z: 18 30.359 1.898 1.086 0.912 1.000 0.765 CB 1.317 18 residues pruned to eliminate duplicates Z: 12 13.399 1.689 0.444 0.894 1.000 0.818 CB 1.189 12 residues pruned to eliminate duplicates Z: 16 12.277 1.775 0.197 0.821 0.933 0.533 CB 1.210 16 residues pruned to eliminate duplicates Z: 14 15.346 1.843 0.523 0.889 0.923 0.846 CB 1.183 14 residues pruned to eliminate duplicates Z: 28 34.607 2.050 0.577 0.871 1.000 0.815 CB 1.502 28 residues pruned to eliminate duplicates Z: 10 8.798 1.682 0.284 0.841 1.000 0.889 CB 1.013 10 residues pruned to eliminate duplicates Z: 7 6.572 1.558 0.402 0.649 1.000 0.500 CB 1.069 7 residues pruned to eliminate duplicates Z: 13 8.175 1.682 0.500 0.403 1.000 0.583 CB 1.035 13 residues pruned to eliminate duplicates Z: 18 24.011 1.836 0.554 0.906 1.000 0.824 CB 1.452 18 residues pruned to eliminate duplicates Z: 16 14.018 1.615 0.441 0.891 1.000 0.867 CB 1.117 16 residues pruned to eliminate duplicates Z: 16 21.995 1.800 0.424 0.918 1.000 0.933 CB 1.562 16 residues pruned to eliminate duplicates Z: 20 23.276 1.949 0.671 0.857 1.000 0.474 CB 1.208 20 residues pruned to eliminate duplicates Z: 16 14.467 1.773 0.399 0.856 0.933 0.533 CB 1.190 16 residues pruned to eliminate duplicates Z: 7 3.002 1.622 0.381 0.221 0.667 0.167 CB 1.138 Z: 8 13.757 1.764 0.859 0.773 1.000 1.000 CB 1.246 7 residues pruned to eliminate duplicates Z: 7 4.339 1.571 0.209 0.358 1.000 0.667 CA 1.086 Z: 9 14.227 1.908 0.844 0.702 0.875 0.750 CB 1.360 9 residues pruned to eliminate duplicates Z: 28 19.663 2.009 0.568 0.432 0.926 0.519 CB 1.392 28 residues pruned to eliminate duplicates Z: 7 4.988 1.662 0.404 0.585 0.667 0.167 N 1.207 18 residues pruned to eliminate duplicates Z: 17 19.096 1.806 0.861 0.849 0.875 0.750 CB 1.204 17 residues pruned to eliminate duplicates Z: 26 26.558 1.888 0.597 0.893 1.000 0.880 CB 1.264 26 residues pruned to eliminate duplicates 8 1.579 1.569 0.016 0.212 0.714 0.429 N 0.736 ? Z: 6 3.123 1.293 0.243 0.623 0.800 0.600 O 0.967 6 residues pruned to eliminate duplicates Z: 7 4.225 1.618 0.072 0.575 0.833 0.833 CB 1.110 7 residues pruned to eliminate duplicates Z: 6 9.927 1.904 1.075 0.826 1.000 0.800 CB 0.848 6 residues pruned to eliminate duplicates Z: 19 14.283 1.707 0.431 0.786 0.889 0.556 CB 1.206 19 residues pruned to eliminate duplicates Z: 14 6.986 1.573 0.634 0.461 0.692 0.308 CB 1.133 8 residues pruned to eliminate duplicates Z: 14 10.828 1.655 0.247 0.886 0.923 0.769 CB 1.138 14 residues pruned to eliminate duplicates 6 0.716 1.944 0.642 0.811 0.600 0.600 CB 0.127 ? Z: 13 14.865 1.642 0.728 0.872 1.000 0.583 CB 1.102 13 residues pruned to eliminate duplicates Z: 13 8.951 1.706 0.608 0.504 0.833 0.250 CB 1.127 13 residues pruned to eliminate duplicates Z: 8 8.113 1.641 0.414 0.698 0.857 0.857 O 1.286 10 residues pruned to eliminate duplicates Z: 18 13.994 1.760 0.337 0.826 0.941 0.765 CB 1.156 15 residues pruned to eliminate duplicates Z: 10 10.523 1.565 0.574 0.835 1.000 0.556 CB 1.066 10 residues pruned to eliminate duplicates Z: 9 9.090 1.746 0.598 0.660 0.750 0.625 CB 1.324 9 residues pruned to eliminate duplicates Z: 10 4.420 1.478 0.177 0.508 0.778 0.556 CB 1.080 10 residues pruned to eliminate duplicates Z: 15 22.595 1.913 0.620 0.906 1.000 1.000 CB 1.386 15 residues pruned to eliminate duplicates Z: 16 13.085 1.796 0.314 0.845 0.867 0.667 CB 1.228 16 residues pruned to eliminate duplicates Z: 8 5.616 1.672 0.571 0.493 0.857 0.714 CB 0.949 Z: 16 16.794 1.838 0.570 0.924 1.000 0.800 CB 1.055 15 residues pruned to eliminate duplicates Z: 13 4.576 1.627 0.596 0.238 0.750 0.417 CB 0.920 13 residues pruned to eliminate duplicates Z: 10 9.673 1.706 0.617 0.623 0.889 0.667 CB 1.171 10 residues pruned to eliminate duplicates Z: 9 14.757 1.914 0.485 0.893 1.000 0.750 CB 1.317 9 residues pruned to eliminate duplicates Z: 15 14.108 1.604 0.590 0.877 0.929 0.857 CB 1.156 14 residues pruned to eliminate duplicates Z: 18 9.043 1.638 0.350 0.408 0.941 0.529 CB 1.161 9 residues pruned to eliminate duplicates Z: 11 5.077 1.452 0.494 0.470 0.800 0.600 CB 0.954 9 residues pruned to eliminate duplicates Z: 6 5.455 1.630 0.588 0.493 0.800 0.600 CA 1.187 6 residues pruned to eliminate duplicates Z: 17 26.855 1.892 1.010 0.864 1.000 0.688 CB 1.293 17 residues pruned to eliminate duplicates Z: 7 6.382 1.774 0.607 0.469 0.833 0.500 CB 1.132 7 residues pruned to eliminate duplicates Z: 16 9.314 1.787 0.507 0.437 0.933 0.467 CB 1.021 16 residues pruned to eliminate duplicates Z: 8 5.239 1.435 0.588 0.567 1.000 0.714 CB 0.814 Z: 16 6.570 1.639 0.713 0.257 0.733 0.333 CB 1.088 9 residues pruned to eliminate duplicates Z: 22 11.380 1.724 0.846 0.561 0.857 0.571 CB 0.858 22 residues pruned to eliminate duplicates Z: 16 15.113 1.766 0.449 0.865 0.867 0.733 CB 1.289 20 residues pruned to eliminate duplicates Z: 7 6.188 1.659 0.361 0.545 0.833 0.500 CB 1.285 7 residues pruned to eliminate duplicates Z: 13 10.697 1.741 0.284 0.874 1.000 0.833 CB 1.005 13 residues pruned to eliminate duplicates Z: 13 4.494 1.537 0.652 0.184 0.750 0.250 N 0.996 13 residues pruned to eliminate duplicates Z: 20 9.182 1.623 0.499 0.320 0.895 0.368 CB 1.179 20 residues pruned to eliminate duplicates Z: 9 15.330 1.814 0.903 0.869 0.875 0.875 CB 1.311 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 9 7.153 1.627 0.393 0.540 1.000 0.625 CB 1.072 9 residues pruned to eliminate duplicates Z: 8 5.609 1.737 0.380 0.424 0.714 0.714 CB 1.341 8 residues pruned to eliminate duplicates Z: 8 6.628 1.766 0.420 0.504 0.714 0.571 CB 1.393 8 residues pruned to eliminate duplicates Z: 8 8.463 1.740 0.616 0.482 0.857 0.571 CB 1.352 8 residues pruned to eliminate duplicates Z: 7 6.351 1.550 0.573 0.756 1.000 0.500 CB 0.847 7 residues pruned to eliminate duplicates Z: 6 4.656 1.493 0.660 0.847 1.000 0.400 CB 0.624 6 residues pruned to eliminate duplicates Z: 6 4.689 1.557 0.554 0.789 1.000 0.800 CB 0.673 6 residues pruned to eliminate duplicates Z: 6 4.191 1.519 0.490 0.639 1.000 0.400 CB 0.727 6 residues pruned to eliminate duplicates Z: 14 10.194 1.754 0.650 0.534 0.846 0.538 CB 1.117 9 residues pruned to eliminate duplicates Z: 8 19.158 2.042 0.985 0.837 1.000 0.714 CB 1.337 13 residues pruned to eliminate duplicates Z: 8 15.109 1.954 1.053 0.770 0.857 0.714 CB 1.308 8 residues pruned to eliminate duplicates Z: 11 18.707 1.644 1.064 0.865 1.000 0.900 N 1.277 11 residues pruned to eliminate duplicates Z: 7 16.944 2.023 0.828 0.834 1.000 0.833 CB 1.402 7 residues pruned to eliminate duplicates Z: 12 9.326 1.851 0.393 0.590 0.909 0.545 CB 1.100 12 residues pruned to eliminate duplicates Z: 10 11.325 1.874 0.743 0.627 1.000 0.778 CB 1.025 10 residues pruned to eliminate duplicates Z: 15 9.981 1.759 0.572 0.448 0.857 0.500 CB 1.188 15 residues pruned to eliminate duplicates Z: 19 16.897 1.883 0.284 0.749 1.000 0.722 CB 1.319 17 residues pruned to eliminate duplicates Z: 15 17.143 1.931 0.257 0.883 1.000 0.714 CB 1.364 15 residues pruned to eliminate duplicates Z: 28 16.557 1.790 0.385 0.558 0.926 0.667 CB 1.313 28 residues pruned to eliminate duplicates Z: 19 21.633 1.935 0.525 0.742 1.000 0.722 CB 1.391 19 residues pruned to eliminate duplicates Z: 19 19.940 1.956 0.689 0.677 0.944 0.722 CB 1.280 19 residues pruned to eliminate duplicates Z: 28 22.401 1.845 0.701 0.661 0.926 0.556 CB 1.278 28 residues pruned to eliminate duplicates Z: 24 24.179 1.910 0.822 0.640 1.000 0.696 CB 1.271 24 residues pruned to eliminate duplicates Z: 16 23.577 1.900 1.051 0.846 0.933 0.667 CB 1.243 17 residues pruned to eliminate duplicates Z: 16 28.261 1.910 0.856 0.922 1.000 0.867 CB 1.448 16 residues pruned to eliminate duplicates Z: 21 19.831 1.879 0.552 0.666 0.950 0.600 CB 1.373 21 residues pruned to eliminate duplicates Z: 17 20.969 1.960 0.631 0.655 0.938 0.562 CB 1.514 17 residues pruned to eliminate duplicates Z: 19 22.424 1.929 0.590 0.754 1.000 0.778 CB 1.374 19 residues pruned to eliminate duplicates Z: 19 24.952 1.945 0.658 0.762 1.000 0.778 CB 1.446 18 residues pruned to eliminate duplicates Z: 16 23.442 1.855 0.625 0.850 1.000 0.867 CB 1.487 16 residues pruned to eliminate duplicates Z: 26 23.843 1.926 0.577 0.708 0.960 0.840 CB 1.354 26 residues pruned to eliminate duplicates Z: 17 24.778 1.962 0.790 0.761 1.000 0.812 CB 1.398 17 residues pruned to eliminate duplicates Z: 28 22.682 1.846 0.615 0.663 1.000 0.852 CB 1.259 28 residues pruned to eliminate duplicates Z: 40 23.595 1.788 0.766 0.620 0.872 0.692 CB 1.226 40 residues pruned to eliminate duplicates Z: 35 34.448 1.953 0.720 0.803 1.000 0.824 CB 1.350 35 residues pruned to eliminate duplicates Z: 27 20.402 1.883 0.657 0.677 0.885 0.423 CB 1.233 27 residues pruned to eliminate duplicates Z: 35 31.238 1.935 0.801 0.761 0.941 0.706 CB 1.296 35 residues pruned to eliminate duplicates Z: 34 32.203 1.949 0.803 0.800 0.939 0.788 CB 1.306 34 residues pruned to eliminate duplicates Z: 33 41.063 1.981 1.002 0.810 1.000 0.688 CB 1.398 33 residues pruned to eliminate duplicates Z: 33 29.338 1.947 0.914 0.721 0.906 0.562 CB 1.257 33 residues pruned to eliminate duplicates Z: 32 36.117 1.968 1.020 0.773 0.968 0.581 CB 1.324 32 residues pruned to eliminate duplicates Z: 34 35.678 1.950 0.963 0.793 0.970 0.697 CB 1.294 34 residues pruned to eliminate duplicates Z: 30 35.103 1.977 0.898 0.781 1.000 0.793 CB 1.356 30 residues pruned to eliminate duplicates Z: 35 34.577 1.913 0.925 0.802 1.000 0.706 CB 1.236 35 residues pruned to eliminate duplicates Z: 32 41.697 1.963 1.102 0.803 1.000 0.677 CB 1.393 32 residues pruned to eliminate duplicates Z: 33 36.999 1.961 1.061 0.773 0.938 0.562 CB 1.357 33 residues pruned to eliminate duplicates Z: 33 35.951 1.960 0.984 0.752 0.938 0.625 CB 1.393 33 residues pruned to eliminate duplicates Z: 34 36.513 1.934 1.083 0.806 1.000 0.636 CB 1.208 34 residues pruned to eliminate duplicates Z: 34 38.613 1.932 1.045 0.787 0.970 0.667 CB 1.364 34 residues pruned to eliminate duplicates Z: 34 39.581 1.950 1.040 0.813 1.000 0.636 CB 1.320 34 residues pruned to eliminate duplicates Z: 9 12.227 1.681 0.737 0.791 1.000 0.500 CB 1.147 8 residues pruned to eliminate duplicates Z: 10 14.482 1.721 0.792 0.788 1.000 0.778 CB 1.216 10 residues pruned to eliminate duplicates Z: 9 14.640 1.856 0.763 0.762 1.000 0.750 CB 1.254 9 residues pruned to eliminate duplicates Z: 9 16.495 1.802 1.030 0.736 1.000 0.625 CB 1.290 10 residues pruned to eliminate duplicates Z: 9 14.348 1.806 0.925 0.738 1.000 0.750 CB 1.178 9 residues pruned to eliminate duplicates Z: 8 16.509 1.855 0.955 0.748 1.000 1.000 CB 1.378 8 residues pruned to eliminate duplicates Z: 10 15.148 1.734 1.084 0.713 0.889 0.667 CB 1.296 10 residues pruned to eliminate duplicates Z: 8 15.241 1.785 1.185 0.697 1.000 0.429 CB 1.234 8 residues pruned to eliminate duplicates Z: 16 22.381 1.832 0.875 0.890 1.000 0.800 CB 1.210 16 residues pruned to eliminate duplicates Z: 28 16.617 1.811 0.838 0.574 0.852 0.556 CB 1.050 28 residues pruned to eliminate duplicates Z: 15 23.670 1.965 0.923 0.919 1.000 0.929 CB 1.180 15 residues pruned to eliminate duplicates Z: 16 21.065 1.921 1.077 0.898 1.000 0.533 CB 0.975 16 residues pruned to eliminate duplicates Z: 18 18.612 1.953 0.651 0.749 1.000 0.765 CB 1.121 18 residues pruned to eliminate duplicates Z: 20 19.928 1.950 0.719 0.715 0.947 0.632 CB 1.185 20 residues pruned to eliminate duplicates Z: 19 19.615 1.917 0.825 0.739 1.000 0.722 CB 1.067 19 residues pruned to eliminate duplicates Z: 36 29.013 1.881 0.752 0.765 0.971 0.686 CB 1.211 45 residues pruned to eliminate duplicates Z: 16 24.462 1.966 0.935 0.908 1.000 0.933 CB 1.179 16 residues pruned to eliminate duplicates Z: 15 26.642 1.981 0.942 0.912 1.000 0.714 CB 1.311 16 residues pruned to eliminate duplicates Z: 16 24.519 1.963 0.900 0.882 1.000 0.733 CB 1.228 16 residues pruned to eliminate duplicates Z: 36 33.166 1.940 0.717 0.799 1.000 0.800 CB 1.296 36 residues pruned to eliminate duplicates Z: 18 21.212 1.991 0.636 0.745 0.941 0.706 CB 1.348 18 residues pruned to eliminate duplicates Z: 23 20.746 1.853 0.892 0.666 0.909 0.636 CB 1.190 23 residues pruned to eliminate duplicates Z: 36 32.637 1.911 0.710 0.798 1.000 0.771 CB 1.300 36 residues pruned to eliminate duplicates Z: 37 33.533 1.911 0.759 0.764 0.972 0.778 CB 1.354 37 residues pruned to eliminate duplicates Z: 11 17.418 1.784 0.810 0.854 0.900 0.800 N 1.400 11 residues pruned to eliminate duplicates Z: 37 33.128 1.919 0.688 0.775 1.000 0.694 CB 1.337 36 residues pruned to eliminate duplicates Z: 18 25.855 1.877 0.646 0.902 1.000 0.882 CB 1.448 19 residues pruned to eliminate duplicates Z: 19 24.770 1.851 0.733 0.831 1.000 0.611 CB 1.367 17 residues pruned to eliminate duplicates Z: 18 24.263 1.876 0.802 0.856 0.941 0.824 CB 1.363 18 residues pruned to eliminate duplicates Z: 15 23.860 1.947 0.671 0.846 1.000 0.643 CB 1.457 15 residues pruned to eliminate duplicates Z: 15 24.446 1.946 0.720 0.834 1.000 0.643 CB 1.463 15 residues pruned to eliminate duplicates Z: 17 23.501 1.932 0.617 0.825 1.000 0.625 CB 1.419 17 residues pruned to eliminate duplicates Z: 13 26.977 2.007 0.748 0.860 1.000 0.833 CB 1.632 13 residues pruned to eliminate duplicates Z: 16 25.942 1.929 0.697 0.852 1.000 0.533 CB 1.514 17 residues pruned to eliminate duplicates Z: 18 27.111 1.853 0.894 0.892 0.941 0.647 CB 1.430 19 residues pruned to eliminate duplicates Z: 19 27.295 1.872 0.922 0.882 0.944 0.500 CB 1.370 18 residues pruned to eliminate duplicates Z: 13 27.270 1.928 1.050 0.835 1.000 0.750 CB 1.492 13 residues pruned to eliminate duplicates Z: 13 27.658 1.973 0.950 0.877 1.000 0.750 CB 1.507 13 residues pruned to eliminate duplicates Z: 17 19.080 1.838 0.595 0.807 0.938 0.562 CB 1.328 17 residues pruned to eliminate duplicates Z: 16 19.197 1.871 0.575 0.850 0.933 0.733 CB 1.335 16 residues pruned to eliminate duplicates Z: 11 12.142 1.715 0.725 0.777 0.900 0.500 CB 1.129 11 residues pruned to eliminate duplicates Z: 13 9.444 1.648 0.454 0.682 0.917 0.583 CB 1.051 13 residues pruned to eliminate duplicates Z: 15 14.560 1.653 0.478 0.878 1.000 0.857 CB 1.157 15 residues pruned to eliminate duplicates Z: 13 15.056 1.733 0.497 0.868 1.000 0.667 CB 1.225 13 residues pruned to eliminate duplicates Z: 13 13.113 1.682 0.589 0.793 1.000 0.333 CB 1.095 13 residues pruned to eliminate duplicates Z: 13 12.914 1.736 0.486 0.820 0.917 0.583 CB 1.194 13 residues pruned to eliminate duplicates Z: 24 12.302 1.667 0.446 0.616 0.826 0.522 CB 1.155 23 residues pruned to eliminate duplicates Z: 14 16.169 1.697 0.580 0.883 1.000 0.846 CB 1.209 14 residues pruned to eliminate duplicates Z: 13 16.166 1.764 0.502 0.906 1.000 0.917 CB 1.252 13 residues pruned to eliminate duplicates Z: 22 13.874 1.724 0.457 0.576 0.952 0.571 CB 1.176 22 residues pruned to eliminate duplicates Z: 20 10.678 1.701 0.333 0.624 0.947 0.526 CB 1.015 20 residues pruned to eliminate duplicates Z: 17 9.045 1.696 0.345 0.411 0.875 0.500 CB 1.243 17 residues pruned to eliminate duplicates Z: 8 3.121 1.624 0.302 0.320 0.714 0.143 CB 0.953 Z: 15 17.916 1.782 0.762 0.769 1.000 0.786 CB 1.202 15 residues pruned to eliminate duplicates Z: 17 14.572 1.842 0.491 0.665 1.000 0.688 CB 1.139 17 residues pruned to eliminate duplicates Z: 19 13.678 1.754 0.505 0.651 1.000 0.778 CB 1.060 19 residues pruned to eliminate duplicates Z: 18 14.214 1.761 0.635 0.604 0.941 0.529 CB 1.153 18 residues pruned to eliminate duplicates Z: 17 14.990 1.781 0.532 0.625 1.000 0.750 CB 1.220 17 residues pruned to eliminate duplicates Z: 19 14.320 1.773 0.485 0.592 1.000 0.667 CB 1.174 19 residues pruned to eliminate duplicates Z: 10 17.807 1.926 0.822 0.847 1.000 0.667 CB 1.256 10 residues pruned to eliminate duplicates Z: 15 15.418 1.813 0.652 0.697 1.000 0.643 CB 1.150 15 residues pruned to eliminate duplicates Z: 23 18.354 1.765 0.692 0.612 0.955 0.727 CB 1.235 23 residues pruned to eliminate duplicates Z: 8 21.057 2.010 0.868 0.910 1.000 1.000 CB 1.504 8 residues pruned to eliminate duplicates Z: 25 17.165 1.801 0.576 0.546 0.917 0.625 CB 1.288 24 residues pruned to eliminate duplicates Z: 13 14.156 1.830 0.599 0.646 1.000 0.917 CB 1.219 13 residues pruned to eliminate duplicates Z: 24 18.117 1.776 0.599 0.610 0.957 0.826 CB 1.253 21 residues pruned to eliminate duplicates Z: 7 5.567 1.498 0.332 0.778 0.833 0.833 CB 1.069 Z: 6 6.153 1.564 0.231 0.785 1.000 0.800 CB 1.112 6 residues pruned to eliminate duplicates Z: 6 7.110 1.579 0.282 0.868 1.000 1.000 CB 1.148 6 residues pruned to eliminate duplicates Z: 7 5.615 1.552 -0.016 0.823 1.000 0.833 CB 1.135 7 residues pruned to eliminate duplicates Z: 11 7.141 1.432 0.339 0.587 1.000 0.800 CB 1.083 7 residues pruned to eliminate duplicates Z: 6 4.147 1.564 0.645 0.186 0.800 0.400 O 1.313 5 residues pruned to eliminate duplicates Z: 6 5.267 1.476 0.802 0.386 0.800 0.600 O 1.249 6 residues pruned to eliminate duplicates Z: 14 8.861 1.794 0.310 0.407 1.000 0.538 CB 1.153 14 residues pruned to eliminate duplicates Z: 18 11.386 1.723 0.584 0.477 0.882 0.588 CB 1.174 18 residues pruned to eliminate duplicates Z: 17 11.695 1.810 0.664 0.435 0.812 0.625 CB 1.278 17 residues pruned to eliminate duplicates Z: 21 12.709 1.743 0.688 0.403 0.800 0.650 CB 1.338 21 residues pruned to eliminate duplicates Z: 13 7.018 1.698 0.458 0.353 0.750 0.500 CB 1.278 13 residues pruned to eliminate duplicates Z: 17 11.484 1.844 0.557 0.407 0.875 0.625 CB 1.260 17 residues pruned to eliminate duplicates Z: 18 9.658 1.800 0.418 0.373 0.824 0.529 CB 1.277 18 residues pruned to eliminate duplicates Z: 24 7.927 1.673 0.436 0.371 0.739 0.435 CB 1.068 24 residues pruned to eliminate duplicates Z: 19 10.897 1.716 0.594 0.434 0.889 0.556 CB 1.131 19 residues pruned to eliminate duplicates Z: 20 13.069 1.691 0.796 0.515 0.947 0.632 CB 1.027 20 residues pruned to eliminate duplicates Z: 18 14.973 1.816 0.733 0.555 0.941 0.647 CB 1.163 18 residues pruned to eliminate duplicates Z: 18 14.197 1.815 0.515 0.556 0.941 0.529 CB 1.260 18 residues pruned to eliminate duplicates Z: 19 13.269 1.750 0.474 0.546 0.889 0.667 CB 1.304 19 residues pruned to eliminate duplicates Z: 16 19.531 1.857 0.475 0.868 1.000 0.867 CB 1.347 15 residues pruned to eliminate duplicates Z: 16 22.626 1.865 0.627 0.931 1.000 0.867 CB 1.345 16 residues pruned to eliminate duplicates Z: 34 18.472 1.773 0.465 0.730 0.879 0.697 CB 1.145 51 residues pruned to eliminate duplicates Z: 16 18.974 1.872 0.682 0.757 0.933 0.867 CB 1.326 Z: 14 22.393 1.939 0.797 0.934 1.000 0.923 CB 1.242 15 residues pruned to eliminate duplicates Z: 14 25.568 1.975 0.881 0.922 1.000 0.769 CB 1.343 15 residues pruned to eliminate duplicates Z: 14 25.926 1.983 0.842 0.932 1.000 1.000 CB 1.374 14 residues pruned to eliminate duplicates Z: 15 24.590 1.937 0.787 0.914 1.000 0.929 CB 1.342 14 residues pruned to eliminate duplicates Z: 16 22.383 1.833 0.726 0.897 1.000 0.867 CB 1.308 16 residues pruned to eliminate duplicates Z: 39 25.845 1.969 0.441 0.659 0.921 0.684 CB 1.384 37 residues pruned to eliminate duplicates Z: 14 25.419 1.983 0.824 0.919 1.000 1.000 CB 1.374 14 residues pruned to eliminate duplicates Z: 14 25.943 1.957 1.008 0.934 1.000 1.000 CB 1.277 14 residues pruned to eliminate duplicates Z: 63 38.457 1.980 0.602 0.729 0.952 0.806 CB 1.317 63 residues pruned to eliminate duplicates Z: 48 34.601 1.992 0.541 0.740 0.979 0.766 CB 1.355 48 residues pruned to eliminate duplicates Z: 47 33.572 2.009 0.483 0.765 1.000 0.783 CB 1.313 47 residues pruned to eliminate duplicates Z: 17 20.403 1.917 0.943 0.770 1.000 0.625 CB 1.079 17 residues pruned to eliminate duplicates Z: 64 39.106 1.965 0.540 0.718 0.984 0.730 CB 1.359 65 residues pruned to eliminate duplicates Z: 30 27.669 2.047 0.286 0.809 1.000 0.655 CB 1.492 30 residues pruned to eliminate duplicates Z: 26 25.792 2.095 0.224 0.825 0.960 0.800 CB 1.582 26 residues pruned to eliminate duplicates Z: 47 32.813 1.989 0.381 0.734 1.000 0.826 CB 1.426 47 residues pruned to eliminate duplicates Z: 63 38.241 1.973 0.513 0.721 0.984 0.742 CB 1.355 62 residues pruned to eliminate duplicates Z: 19 23.682 2.168 0.195 0.831 1.000 0.778 CB 1.619 19 residues pruned to eliminate duplicates Z: 55 36.783 1.978 0.618 0.743 0.963 0.741 CB 1.306 55 residues pruned to eliminate duplicates Z: 51 30.822 1.967 0.517 0.675 0.960 0.640 CB 1.295 51 residues pruned to eliminate duplicates Z: 62 31.914 1.917 0.558 0.675 0.934 0.672 CB 1.247 62 residues pruned to eliminate duplicates Z: 49 33.590 1.977 0.567 0.697 0.958 0.750 CB 1.364 49 residues pruned to eliminate duplicates Z: 42 32.304 1.968 0.547 0.669 0.951 0.707 CB 1.490 42 residues pruned to eliminate duplicates Z: 33 28.288 1.983 0.531 0.715 0.938 0.781 CB 1.446 33 residues pruned to eliminate duplicates Z: 64 41.823 1.964 0.727 0.723 1.000 0.698 CB 1.271 64 residues pruned to eliminate duplicates Z: 27 31.836 2.041 0.611 0.785 1.000 0.846 CB 1.477 27 residues pruned to eliminate duplicates Z: 50 34.494 1.971 0.635 0.703 0.939 0.735 CB 1.354 50 residues pruned to eliminate duplicates Z: 47 38.485 2.009 0.703 0.760 0.978 0.717 CB 1.345 47 residues pruned to eliminate duplicates Z: 30 27.830 1.920 0.575 0.805 0.966 0.793 CB 1.357 30 residues pruned to eliminate duplicates Z: 65 39.542 1.952 0.651 0.723 0.969 0.766 CB 1.295 65 residues pruned to eliminate duplicates Z: 43 30.293 1.961 0.436 0.689 0.976 0.738 CB 1.431 43 residues pruned to eliminate duplicates Z: 59 38.179 1.949 0.611 0.729 0.948 0.638 CB 1.370 59 residues pruned to eliminate duplicates Z: 47 36.495 2.022 0.598 0.743 0.978 0.848 CB 1.369 47 residues pruned to eliminate duplicates Z: 60 35.654 1.948 0.531 0.679 0.932 0.746 CB 1.416 60 residues pruned to eliminate duplicates Z: 50 33.836 1.966 0.651 0.664 0.980 0.673 CB 1.306 50 residues pruned to eliminate duplicates Z: 65 39.670 1.957 0.648 0.727 0.969 0.750 CB 1.293 65 residues pruned to eliminate duplicates Z: 36 28.191 1.995 0.482 0.661 0.971 0.657 CB 1.429 36 residues pruned to eliminate duplicates Z: 56 33.798 1.929 0.581 0.669 0.964 0.782 CB 1.327 56 residues pruned to eliminate duplicates Z: 59 40.398 1.985 0.575 0.742 0.966 0.845 CB 1.415 59 residues pruned to eliminate duplicates Z: 63 39.965 1.978 0.510 0.719 1.000 0.790 CB 1.394 63 residues pruned to eliminate duplicates Z: 64 42.247 1.979 0.666 0.714 0.984 0.810 CB 1.351 64 residues pruned to eliminate duplicates Z: 65 39.546 1.953 0.668 0.692 0.984 0.688 CB 1.293 65 residues pruned to eliminate duplicates Z: 49 35.821 1.983 0.626 0.691 1.000 0.708 CB 1.347 49 residues pruned to eliminate duplicates Z: 22 18.335 1.778 0.708 0.561 1.000 0.476 CB 1.242 22 residues pruned to eliminate duplicates Z: 50 35.768 1.978 0.572 0.687 1.000 0.612 CB 1.385 50 residues pruned to eliminate duplicates Z: 65 40.124 1.971 0.623 0.714 0.953 0.797 CB 1.355 65 residues pruned to eliminate duplicates Z: 65 41.573 1.974 0.688 0.696 0.984 0.703 CB 1.325 64 residues pruned to eliminate duplicates Z: 16 22.051 1.909 0.663 0.774 1.000 0.667 CB 1.408 16 residues pruned to eliminate duplicates Z: 64 40.741 1.988 0.709 0.691 0.952 0.635 CB 1.332 64 residues pruned to eliminate duplicates Z: 44 37.587 1.993 0.642 0.743 0.977 0.767 CB 1.443 44 residues pruned to eliminate duplicates Z: 64 43.999 1.985 0.692 0.742 0.968 0.857 CB 1.373 64 residues pruned to eliminate duplicates Z: 16 26.762 1.914 0.776 0.801 1.000 0.533 CB 1.563 16 residues pruned to eliminate duplicates Z: 16 25.482 1.899 0.806 0.815 1.000 0.800 CB 1.459 16 residues pruned to eliminate duplicates Z: 51 37.560 1.971 0.597 0.674 1.000 0.700 CB 1.438 51 residues pruned to eliminate duplicates Z: 17 23.749 1.900 0.820 0.731 1.000 0.812 CB 1.395 17 residues pruned to eliminate duplicates Z: 50 31.247 1.920 0.608 0.621 0.959 0.633 CB 1.344 50 residues pruned to eliminate duplicates Z: 9 8.155 1.777 0.682 0.415 0.875 0.250 CB 1.205 9 residues pruned to eliminate duplicates Z: 8 13.398 1.806 0.922 0.609 1.000 0.714 CB 1.315 8 residues pruned to eliminate duplicates Z: 18 13.535 1.719 0.322 0.877 0.941 0.706 CB 1.115 17 residues pruned to eliminate duplicates Z: 12 13.593 1.913 0.301 0.893 0.909 0.909 CB 1.301 12 residues pruned to eliminate duplicates Z: 7 10.350 2.148 0.215 0.685 0.833 0.500 CB 1.640 7 residues pruned to eliminate duplicates Z: 13 16.213 1.865 0.558 0.672 1.000 0.500 CB 1.374 9 residues pruned to eliminate duplicates Z: 10 13.291 1.850 0.368 0.926 1.000 1.000 CB 1.228 10 residues pruned to eliminate duplicates Z: 12 14.399 1.808 0.353 0.841 1.000 0.909 CB 1.323 12 residues pruned to eliminate duplicates Z: 15 9.764 1.763 0.475 0.614 0.786 0.429 CB 1.147 15 residues pruned to eliminate duplicates Z: 12 11.352 1.809 0.408 0.662 0.818 0.727 CB 1.413 12 residues pruned to eliminate duplicates Z: 9 10.451 1.950 0.339 0.756 0.875 0.875 CB 1.288 9 residues pruned to eliminate duplicates Z: 8 8.203 1.764 0.679 0.620 0.857 0.571 CB 1.091 8 residues pruned to eliminate duplicates Z: 39 12.466 1.798 0.421 0.271 0.816 0.368 CB 1.258 39 residues pruned to eliminate duplicates Z: 32 16.586 1.940 0.465 0.472 0.871 0.677 CB 1.238 32 residues pruned to eliminate duplicates Z: 10 14.986 1.899 0.659 0.583 1.000 0.667 CB 1.464 10 residues pruned to eliminate duplicates Z: 31 18.621 1.986 0.550 0.496 0.900 0.600 CB 1.232 31 residues pruned to eliminate duplicates Z: 10 12.105 1.853 0.498 0.614 0.889 0.556 CB 1.469 10 residues pruned to eliminate duplicates Z: 24 15.628 1.998 0.520 0.407 0.870 0.565 CB 1.360 24 residues pruned to eliminate duplicates Z: 12 10.097 1.737 0.599 0.478 1.000 0.727 CB 1.121 12 residues pruned to eliminate duplicates Z: 12 10.501 1.844 0.576 0.482 0.818 0.636 CB 1.356 12 residues pruned to eliminate duplicates Z: 11 12.536 1.865 0.709 0.525 0.900 0.700 CB 1.348 11 residues pruned to eliminate duplicates Z: 38 22.399 1.969 0.503 0.456 0.946 0.568 CB 1.377 46 residues pruned to eliminate duplicates Z: 8 4.150 1.590 0.246 0.423 0.857 0.571 CB 1.000 8 residues pruned to eliminate duplicates Z: 42 22.639 1.897 0.633 0.453 0.951 0.537 CB 1.258 42 residues pruned to eliminate duplicates Z: 7 9.518 1.948 0.534 0.407 1.000 0.500 CA 1.433 7 residues pruned to eliminate duplicates Z: 42 21.159 1.950 0.488 0.428 0.927 0.537 CB 1.324 42 residues pruned to eliminate duplicates Z: 39 23.481 2.006 0.562 0.459 0.947 0.553 CB 1.339 39 residues pruned to eliminate duplicates Z: 37 22.143 2.005 0.572 0.461 0.917 0.472 CB 1.330 37 residues pruned to eliminate duplicates Z: 39 19.352 1.983 0.476 0.448 0.895 0.605 CB 1.264 39 residues pruned to eliminate duplicates Z: 43 15.179 1.837 0.601 0.304 0.786 0.333 CB 1.261 17 residues pruned to eliminate duplicates Z: 9 12.555 1.913 0.658 0.833 0.750 0.750 CB 1.400 9 residues pruned to eliminate duplicates Z: 40 20.355 1.967 0.545 0.413 0.923 0.538 CB 1.272 40 residues pruned to eliminate duplicates Z: 40 21.456 1.972 0.616 0.418 0.897 0.538 CB 1.309 40 residues pruned to eliminate duplicates Z: 35 21.338 1.912 0.700 0.468 0.941 0.559 CB 1.236 35 residues pruned to eliminate duplicates Z: 52 25.057 1.912 0.683 0.474 0.863 0.431 CB 1.297 52 residues pruned to eliminate duplicates Z: 44 17.449 1.846 0.557 0.430 0.814 0.488 CB 1.223 44 residues pruned to eliminate duplicates Z: 40 23.873 1.989 0.722 0.436 0.897 0.564 CB 1.329 40 residues pruned to eliminate duplicates Z: 57 24.475 1.917 0.601 0.494 0.875 0.554 CB 1.225 57 residues pruned to eliminate duplicates Z: 41 23.547 1.933 0.757 0.454 0.925 0.625 CB 1.243 41 residues pruned to eliminate duplicates Z: 46 23.825 1.881 0.690 0.446 0.911 0.556 CB 1.295 46 residues pruned to eliminate duplicates Z: 39 24.065 1.983 0.720 0.470 0.895 0.632 CB 1.319 39 residues pruned to eliminate duplicates Z: 9 10.066 1.920 0.734 0.289 1.000 0.625 CB 1.354 9 residues pruned to eliminate duplicates Z: 39 26.948 1.980 0.743 0.475 0.947 0.605 CB 1.372 39 residues pruned to eliminate duplicates Z: 38 26.294 2.015 0.653 0.477 0.946 0.649 CB 1.403 38 residues pruned to eliminate duplicates Z: 40 21.637 1.977 0.604 0.454 0.872 0.538 CB 1.314 40 residues pruned to eliminate duplicates Z: 10 9.989 1.948 0.615 0.349 0.889 0.222 CB 1.403 10 residues pruned to eliminate duplicates Z: 42 20.533 1.925 0.752 0.423 0.878 0.366 CB 1.173 42 residues pruned to eliminate duplicates Z: 8 6.936 1.608 0.294 0.669 1.000 0.857 CB 1.077 8 residues pruned to eliminate duplicates Z: 11 7.484 1.726 0.474 0.533 0.800 0.500 CB 1.126 11 residues pruned to eliminate duplicates Z: 9 6.185 1.616 0.645 0.443 0.875 0.625 CB 0.997 9 residues pruned to eliminate duplicates Z: 9 5.129 1.570 0.388 0.388 0.875 0.500 CB 1.072 9 residues pruned to eliminate duplicates Z: 12 6.680 1.657 0.696 0.506 0.727 0.545 CB 0.980 12 residues pruned to eliminate duplicates Z: 11 4.988 1.607 0.444 0.573 0.800 0.500 CB 0.792 11 residues pruned to eliminate duplicates Z: 15 6.813 1.647 0.292 0.454 0.857 0.500 CB 1.046 15 residues pruned to eliminate duplicates Z: 12 8.127 1.716 0.662 0.497 0.909 0.545 CB 0.948 12 residues pruned to eliminate duplicates Z: 14 9.823 1.704 0.474 0.528 0.923 0.385 CB 1.142 14 residues pruned to eliminate duplicates Z: 12 9.323 1.720 0.420 0.548 1.000 0.545 CB 1.099 12 residues pruned to eliminate duplicates Z: 13 9.014 1.692 0.312 0.582 0.833 0.750 CB 1.300 29 residues pruned to eliminate duplicates Z: 8 13.067 1.839 0.338 0.885 1.000 1.000 CB 1.450 8 residues pruned to eliminate duplicates Z: 11 7.664 1.696 0.332 0.560 0.700 0.600 N 1.446 11 residues pruned to eliminate duplicates Z: 10 10.718 1.667 0.494 0.682 1.000 0.667 CB 1.214 10 residues pruned to eliminate duplicates Z: 11 11.253 1.751 0.429 0.640 0.900 0.800 CB 1.387 11 residues pruned to eliminate duplicates Z: 10 11.330 1.723 0.352 0.843 1.000 0.667 CB 1.207 10 residues pruned to eliminate duplicates Z: 20 11.069 1.878 0.647 0.456 0.737 0.368 CB 1.165 20 residues pruned to eliminate duplicates Z: 19 13.422 1.900 0.529 0.480 0.778 0.500 CB 1.428 19 residues pruned to eliminate duplicates Z: 7 3.166 1.542 0.624 0.280 0.667 0.333 N 0.993 7 residues pruned to eliminate duplicates Z: 27 14.237 1.757 0.552 0.511 0.885 0.462 CB 1.145 27 residues pruned to eliminate duplicates Z: 21 14.917 1.760 0.580 0.636 0.900 0.600 CB 1.173 21 residues pruned to eliminate duplicates Z: 20 17.344 1.860 0.491 0.665 0.947 0.684 CB 1.300 20 residues pruned to eliminate duplicates Z: 20 14.868 1.848 0.518 0.653 0.895 0.789 CB 1.178 20 residues pruned to eliminate duplicates Z: 21 18.185 1.860 0.535 0.723 0.900 0.600 CB 1.294 21 residues pruned to eliminate duplicates Z: 16 17.538 1.938 0.688 0.737 0.933 0.600 CB 1.199 17 residues pruned to eliminate duplicates Z: 17 22.802 1.767 0.765 0.894 0.938 0.625 CB 1.399 16 residues pruned to eliminate duplicates Z: 15 20.927 1.962 0.851 0.856 0.929 0.500 CB 1.223 15 residues pruned to eliminate duplicates Z: 14 18.042 1.731 0.773 0.672 0.923 0.538 N 1.507 14 residues pruned to eliminate duplicates Z: 17 13.440 1.949 0.622 0.511 0.812 0.500 CB 1.294 17 residues pruned to eliminate duplicates Z: 16 16.274 1.953 0.826 0.554 0.733 0.467 CB 1.524 16 residues pruned to eliminate duplicates Z: 6 2.832 1.800 0.126 0.100 0.800 0.600 CB 1.302 2 residues pruned to eliminate duplicates Z: 25 16.781 1.927 0.257 0.823 1.000 0.875 CB 1.069 25 residues pruned to eliminate duplicates Z: 29 22.033 2.024 0.557 0.607 0.929 0.643 CB 1.286 34 residues pruned to eliminate duplicates Z: 22 21.131 2.017 0.481 0.788 0.905 0.762 CB 1.324 22 residues pruned to eliminate duplicates Z: 36 25.605 1.972 0.619 0.640 0.886 0.657 CB 1.343 36 residues pruned to eliminate duplicates Z: 34 23.840 1.990 0.515 0.633 0.879 0.485 CB 1.382 34 residues pruned to eliminate duplicates Z: 40 32.716 1.986 0.714 0.767 0.949 0.718 CB 1.281 42 residues pruned to eliminate duplicates Z: 24 23.154 1.925 0.425 0.884 1.000 0.783 CB 1.272 19 residues pruned to eliminate duplicates Z: 21 17.750 1.943 0.388 0.759 0.900 0.850 CB 1.299 21 residues pruned to eliminate duplicates Z: 38 25.116 1.891 0.580 0.634 0.892 0.541 CB 1.367 38 residues pruned to eliminate duplicates Z: 19 28.930 2.039 0.743 0.898 1.000 1.000 CB 1.372 19 residues pruned to eliminate duplicates Z: 18 22.838 2.003 0.673 0.819 0.941 0.647 CB 1.331 18 residues pruned to eliminate duplicates Z: 20 26.482 1.973 0.764 0.832 0.947 0.684 CB 1.383 24 residues pruned to eliminate duplicates Z: 21 23.477 1.934 0.718 0.879 0.950 0.700 CB 1.207 21 residues pruned to eliminate duplicates Z: 18 24.385 1.979 0.752 0.842 1.000 0.647 CB 1.271 18 residues pruned to eliminate duplicates Z: 21 23.507 1.995 0.705 0.847 1.000 0.800 CB 1.147 22 residues pruned to eliminate duplicates Z: 24 24.861 1.936 0.618 0.898 1.000 0.739 CB 1.184 20 residues pruned to eliminate duplicates Z: 23 24.046 1.977 0.700 0.865 1.000 0.818 CB 1.118 23 residues pruned to eliminate duplicates Z: 20 31.068 2.024 0.898 0.872 1.000 0.895 CB 1.352 20 residues pruned to eliminate duplicates Z: 21 29.567 1.942 0.938 0.808 1.000 0.900 CB 1.343 21 residues pruned to eliminate duplicates Z: 53 30.441 1.880 0.765 0.629 0.885 0.500 CB 1.274 54 residues pruned to eliminate duplicates Z: 28 22.702 1.878 0.701 0.786 0.889 0.630 CB 1.197 28 residues pruned to eliminate duplicates Z: 37 29.053 1.934 0.683 0.751 0.917 0.722 CB 1.297 38 residues pruned to eliminate duplicates Z: 24 28.318 1.925 0.651 0.882 1.000 0.826 CB 1.344 24 residues pruned to eliminate duplicates Z: 36 34.229 1.972 0.774 0.790 0.943 0.857 CB 1.359 36 residues pruned to eliminate duplicates Z: 23 19.935 1.891 0.879 0.776 0.864 0.500 CB 1.085 23 residues pruned to eliminate duplicates Z: 29 26.731 1.912 0.768 0.702 0.893 0.643 CB 1.392 29 residues pruned to eliminate duplicates Z: 53 34.544 1.943 0.744 0.661 0.904 0.596 CB 1.347 52 residues pruned to eliminate duplicates Z: 14 20.601 1.774 0.833 0.807 1.000 0.692 CB 1.344 13 residues pruned to eliminate duplicates Z: 12 20.441 1.859 0.802 0.905 1.000 0.909 CA 1.309 12 residues pruned to eliminate duplicates Z: 14 13.826 1.824 0.577 0.614 0.923 0.462 CB 1.297 14 residues pruned to eliminate duplicates Z: 8 5.925 1.864 0.297 0.490 0.714 0.571 CB 1.310 8 residues pruned to eliminate duplicates Z: 24 20.286 1.746 0.625 0.656 1.000 0.652 CB 1.289 24 residues pruned to eliminate duplicates Z: 56 37.750 1.941 0.804 0.717 0.909 0.673 CB 1.314 56 residues pruned to eliminate duplicates Z: 18 19.700 1.834 0.796 0.628 0.882 0.765 CB 1.457 18 residues pruned to eliminate duplicates Z: 12 23.602 1.910 0.896 0.827 1.000 0.636 CA 1.481 14 residues pruned to eliminate duplicates Z: 11 19.069 1.893 0.930 0.872 0.900 0.600 CB 1.337 11 residues pruned to eliminate duplicates Z: 22 14.818 1.826 0.577 0.577 0.857 0.571 CB 1.216 22 residues pruned to eliminate duplicates Z: 14 13.352 1.750 0.751 0.643 0.846 0.538 CA 1.249 14 residues pruned to eliminate duplicates Z: 16 15.579 1.797 0.652 0.607 0.867 0.600 CB 1.412 16 residues pruned to eliminate duplicates Z: 21 7.881 1.669 0.203 0.479 0.800 0.500 CB 1.121 21 residues pruned to eliminate duplicates Z: 23 16.605 1.869 0.564 0.571 0.818 0.636 CB 1.383 44 residues pruned to eliminate duplicates Z: 21 14.190 1.853 0.569 0.627 0.900 0.650 CB 1.076 20 residues pruned to eliminate duplicates Z: 14 17.252 1.874 0.426 0.907 1.000 0.846 CB 1.272 14 residues pruned to eliminate duplicates Z: 15 15.582 1.842 0.360 0.822 0.929 0.643 CB 1.354 15 residues pruned to eliminate duplicates Z: 19 10.970 1.772 0.375 0.599 0.833 0.611 CB 1.159 19 residues pruned to eliminate duplicates Z: 12 8.904 1.707 0.741 0.533 0.909 0.727 CB 0.962 12 residues pruned to eliminate duplicates Z: 25 22.135 1.856 0.823 0.690 0.917 0.625 CB 1.224 19 residues pruned to eliminate duplicates Z: 16 15.895 1.773 0.599 0.883 0.933 0.733 CB 1.122 16 residues pruned to eliminate duplicates Z: 15 17.688 1.916 0.564 0.791 0.929 0.643 CB 1.316 15 residues pruned to eliminate duplicates Z: 53 23.602 1.882 0.553 0.493 0.904 0.558 CB 1.248 56 residues pruned to eliminate duplicates Z: 16 12.850 1.796 0.383 0.749 0.933 0.600 CB 1.146 16 residues pruned to eliminate duplicates Z: 15 13.107 1.789 0.406 0.758 0.929 0.571 CB 1.193 15 residues pruned to eliminate duplicates Z: 21 11.669 1.769 0.523 0.647 0.900 0.550 CB 0.938 21 residues pruned to eliminate duplicates Z: 29 14.880 1.927 0.403 0.440 0.821 0.571 CB 1.347 29 residues pruned to eliminate duplicates Z: 25 22.495 2.012 0.699 0.535 0.917 0.625 CB 1.416 25 residues pruned to eliminate duplicates Z: 7 7.997 1.879 0.410 0.521 0.833 0.500 CB 1.450 7 residues pruned to eliminate duplicates Z: 35 17.317 1.928 0.589 0.434 0.882 0.500 CB 1.176 35 residues pruned to eliminate duplicates Z: 29 17.154 1.964 0.552 0.435 0.857 0.571 CB 1.327 29 residues pruned to eliminate duplicates Z: 45 21.424 1.943 0.681 0.510 0.841 0.636 CB 1.164 45 residues pruned to eliminate duplicates Z: 35 17.025 1.924 0.614 0.435 0.912 0.559 CB 1.103 35 residues pruned to eliminate duplicates Z: 30 16.873 1.932 0.560 0.446 0.793 0.690 CB 1.385 30 residues pruned to eliminate duplicates Z: 28 17.897 1.840 0.682 0.451 0.889 0.519 CB 1.316 26 residues pruned to eliminate duplicates Z: 12 14.329 1.911 0.423 0.618 1.000 0.455 CB 1.421 12 residues pruned to eliminate duplicates Z: 28 22.450 1.996 0.634 0.505 0.963 0.704 CB 1.370 28 residues pruned to eliminate duplicates Z: 42 23.380 1.890 0.636 0.565 0.854 0.488 CB 1.299 42 residues pruned to eliminate duplicates Z: 46 18.673 1.870 0.612 0.514 0.844 0.600 CB 1.079 46 residues pruned to eliminate duplicates Z: 28 18.347 1.987 0.648 0.444 0.889 0.556 CB 1.285 28 residues pruned to eliminate duplicates Z: 33 20.725 1.925 0.578 0.467 0.938 0.531 CB 1.331 33 residues pruned to eliminate duplicates Z: 28 15.808 1.961 0.446 0.443 0.815 0.519 CB 1.395 28 residues pruned to eliminate duplicates Z: 33 16.847 1.889 0.526 0.442 0.906 0.594 CB 1.211 33 residues pruned to eliminate duplicates Z: 27 19.174 2.015 0.684 0.478 0.885 0.731 CB 1.280 27 residues pruned to eliminate duplicates Z: 11 8.882 1.775 0.336 0.513 0.900 0.500 CB 1.299 11 residues pruned to eliminate duplicates Z: 9 4.967 1.632 0.389 0.366 0.750 0.500 CB 1.193 Z: 11 12.054 1.802 0.539 0.733 0.900 0.700 CB 1.239 20 residues pruned to eliminate duplicates Z: 11 12.552 1.740 0.500 0.759 1.000 0.500 CB 1.208 11 residues pruned to eliminate duplicates Z: 12 12.384 1.758 0.652 0.636 0.909 0.636 CB 1.244 12 residues pruned to eliminate duplicates Z: 11 13.441 1.763 0.557 0.678 1.000 0.600 CB 1.314 11 residues pruned to eliminate duplicates Z: 12 12.170 1.747 0.616 0.663 0.909 0.455 CB 1.229 12 residues pruned to eliminate duplicates Z: 12 8.397 1.684 0.489 0.577 0.818 0.545 CB 1.146 12 residues pruned to eliminate duplicates Z: 12 12.299 1.766 0.775 0.658 0.818 0.364 CB 1.249 12 residues pruned to eliminate duplicates Z: 10 10.882 1.775 0.674 0.754 0.778 0.667 CB 1.251 10 residues pruned to eliminate duplicates Z: 10 13.175 1.791 0.623 0.721 1.000 0.889 CB 1.238 10 residues pruned to eliminate duplicates 440 residues left after pruning, divided into chains as follows: A: 16 B: 10 C: 6 D: 6 E: 7 F: 8 G: 37 H: 9 I: 36 J: 16 K: 11 L: 23 M: 63 N: 52 O: 55 P: 28 Q: 57 CC for partial structure against native data = 42.26 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.299, Contrast = 0.502, Connect. = 0.721 for dens.mod. cycle 1 = 0.299, Contrast = 0.575, Connect. = 0.746 for dens.mod. cycle 2 = 0.299, Contrast = 0.677, Connect. = 0.769 for dens.mod. cycle 3 = 0.299, Contrast = 0.687, Connect. = 0.771 for dens.mod. cycle 4 = 0.299, Contrast = 0.695, Connect. = 0.772 for dens.mod. cycle 5 = 0.299, Contrast = 0.696, Connect. = 0.773 for dens.mod. cycle 6 = 0.299, Contrast = 0.699, Connect. = 0.774 for dens.mod. cycle 7 = 0.299, Contrast = 0.698, Connect. = 0.775 for dens.mod. cycle 8 = 0.299, Contrast = 0.698, Connect. = 0.776 for dens.mod. cycle 9 = 0.299, Contrast = 0.697, Connect. = 0.776 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1769 peaks > 0.5 sigma used to seed fragment search Space for about 738 unique residues taking solvent into account 452 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 23.468 1.864 0.729 0.899 1.000 1.000 CB 1.444 B: 28 38.608 2.050 0.739 0.884 1.000 0.815 CB 1.506 C: 7 13.699 1.903 0.480 0.867 1.000 1.000 CB 1.453 D: 27 29.650 2.056 0.425 0.872 0.962 0.885 CB 1.504 27 residues pruned to eliminate duplicates E: 25 32.027 2.068 0.511 0.893 1.000 0.917 CB 1.501 25 residues pruned to eliminate duplicates F: 15 26.984 2.007 0.618 0.898 1.000 0.857 CB 1.589 G: 14 12.611 1.824 0.447 0.873 0.769 0.692 CB 1.255 H: 16 22.220 1.877 0.702 0.874 0.933 0.667 CB 1.401 I: 16 22.843 1.965 0.873 0.914 1.000 0.800 CB 1.134 J: 21 9.532 1.882 0.361 0.385 0.800 0.600 CB 1.175 K: 17 26.769 2.006 0.593 0.911 1.000 0.875 CB 1.484 L: 26 20.599 1.921 0.440 0.862 0.920 0.800 CB 1.189 18 residues pruned to eliminate duplicates M: 17 26.763 1.814 0.953 0.913 0.938 0.875 CB 1.426 16 residues pruned to eliminate duplicates N: 28 29.146 2.054 0.521 0.858 0.889 0.778 CB 1.487 28 residues pruned to eliminate duplicates O: 16 29.208 1.866 0.991 0.917 1.000 0.867 CB 1.432 P: 15 27.111 1.966 0.907 0.908 1.000 0.714 CB 1.373 15 residues pruned to eliminate duplicates Q: 18 20.808 1.858 0.382 0.926 1.000 0.941 CB 1.378 R: 12 21.827 1.836 0.857 0.900 1.000 0.545 CB 1.379 S: 12 16.319 1.855 0.520 0.876 1.000 0.727 CB 1.268 14 residues pruned to eliminate duplicates T: 28 25.857 2.031 0.373 0.811 0.963 0.741 CB 1.413 28 residues pruned to eliminate duplicates U: 23 24.259 1.948 0.447 0.894 0.955 0.818 CB 1.380 23 residues pruned to eliminate duplicates V: 13 17.483 1.705 0.963 0.883 1.000 0.583 CB 1.090 12 residues pruned to eliminate duplicates W: 12 15.062 1.740 0.738 0.889 0.909 0.909 CB 1.189 11 residues pruned to eliminate duplicates X: 26 30.526 2.044 0.646 0.847 0.880 0.640 CB 1.531 26 residues pruned to eliminate duplicates Y: 16 22.152 1.837 1.010 0.918 1.000 0.667 CB 1.093 16 residues pruned to eliminate duplicates Z: 25 22.312 1.871 0.456 0.883 1.000 0.792 CB 1.209 24 residues pruned to eliminate duplicates Z: 10 10.243 1.722 0.261 0.916 1.000 1.000 CB 1.110 10 residues pruned to eliminate duplicates Z: 16 28.086 1.869 0.888 0.877 1.000 0.867 CA 1.492 16 residues pruned to eliminate duplicates Z: 24 23.631 1.929 0.798 0.672 0.870 0.609 CB 1.395 Z: 15 26.107 1.974 0.783 0.911 1.000 0.929 CB 1.405 15 residues pruned to eliminate duplicates Z: 16 20.741 1.872 0.782 0.853 0.933 0.867 CB 1.272 16 residues pruned to eliminate duplicates Z: 18 25.688 1.843 0.985 0.868 1.000 0.706 CB 1.245 14 residues pruned to eliminate duplicates Z: 16 21.522 1.889 0.858 0.910 0.867 0.600 CB 1.296 16 residues pruned to eliminate duplicates Z: 21 26.714 1.979 0.785 0.859 1.000 0.750 CB 1.244 25 residues pruned to eliminate duplicates Z: 18 24.635 1.816 0.666 0.892 0.941 0.765 CB 1.508 18 residues pruned to eliminate duplicates Z: 17 27.937 1.905 0.588 0.876 1.000 0.812 CA 1.678 15 residues pruned to eliminate duplicates Z: 19 25.441 1.850 0.642 0.944 1.000 0.944 CB 1.367 18 residues pruned to eliminate duplicates Z: 16 23.411 1.892 0.736 0.861 1.000 0.667 CB 1.352 16 residues pruned to eliminate duplicates Z: 29 25.585 2.015 0.226 0.840 1.000 0.750 CB 1.461 28 residues pruned to eliminate duplicates Z: 14 25.769 2.042 0.583 0.902 1.000 0.846 CB 1.576 14 residues pruned to eliminate duplicates Z: 25 30.673 2.025 0.589 0.881 0.958 0.792 CB 1.470 25 residues pruned to eliminate duplicates Z: 11 15.094 1.791 0.675 0.862 0.900 0.500 CB 1.298 Z: 17 34.355 1.926 1.132 0.952 1.000 0.875 CB 1.440 18 residues pruned to eliminate duplicates Z: 15 34.327 2.099 0.813 0.937 1.000 0.857 CB 1.677 16 residues pruned to eliminate duplicates Z: 13 9.495 1.938 0.656 0.442 0.750 0.583 CB 1.209 Z: 27 29.612 2.060 0.379 0.852 1.000 0.808 CB 1.513 27 residues pruned to eliminate duplicates Z: 16 23.942 1.965 0.912 0.881 1.000 0.800 CB 1.191 16 residues pruned to eliminate duplicates Z: 8 7.396 1.528 0.859 0.643 0.857 0.571 CB 1.004 Z: 17 23.835 1.813 0.931 0.917 0.938 0.688 CB 1.282 16 residues pruned to eliminate duplicates Z: 7 7.389 1.832 0.544 0.516 0.833 0.667 CB 1.259 6 residues pruned to eliminate duplicates Z: 19 32.843 2.096 0.761 0.860 1.000 0.611 CB 1.542 19 residues pruned to eliminate duplicates Z: 7 12.130 1.854 0.696 0.854 1.000 1.000 N 1.163 7 residues pruned to eliminate duplicates Z: 16 23.282 1.845 0.757 0.919 1.000 0.800 CB 1.307 16 residues pruned to eliminate duplicates Z: 10 15.360 1.916 0.602 0.904 0.889 0.778 CB 1.337 11 residues pruned to eliminate duplicates Z: 14 7.331 1.720 0.684 0.446 0.769 0.692 CB 0.965 Z: 10 11.628 1.694 0.354 0.884 1.000 0.778 CB 1.221 7 residues pruned to eliminate duplicates Z: 17 22.314 1.852 0.485 0.867 0.938 0.938 CB 1.583 17 residues pruned to eliminate duplicates Z: 14 21.336 1.937 0.472 0.897 1.000 0.692 CB 1.486 14 residues pruned to eliminate duplicates Z: 18 19.226 1.712 0.606 0.802 0.941 0.765 CB 1.384 Z: 17 27.593 1.872 0.889 0.920 1.000 0.875 CB 1.373 18 residues pruned to eliminate duplicates Z: 16 16.426 1.780 0.442 0.898 0.933 0.867 CB 1.266 12 residues pruned to eliminate duplicates Z: 13 21.547 1.830 0.675 0.891 1.000 0.917 CA 1.459 14 residues pruned to eliminate duplicates Z: 12 18.053 1.789 0.824 0.906 1.000 0.909 CB 1.187 12 residues pruned to eliminate duplicates Z: 17 27.710 1.795 1.035 0.912 1.000 0.938 CB 1.343 17 residues pruned to eliminate duplicates Z: 28 15.004 1.851 0.669 0.457 0.741 0.481 CB 1.318 28 residues pruned to eliminate duplicates Z: 27 30.065 2.080 0.484 0.829 0.962 0.654 CB 1.495 27 residues pruned to eliminate duplicates Z: 17 19.896 1.798 0.498 0.858 1.000 0.750 CB 1.361 18 residues pruned to eliminate duplicates Z: 41 19.669 1.875 0.575 0.435 0.900 0.475 CB 1.252 29 residues pruned to eliminate duplicates Z: 15 26.681 1.986 0.720 0.907 1.000 1.000 CB 1.484 15 residues pruned to eliminate duplicates Z: 14 23.065 1.931 0.562 0.893 1.000 0.923 CA 1.523 14 residues pruned to eliminate duplicates Z: 14 20.184 1.847 0.631 0.853 0.923 0.692 CB 1.488 14 residues pruned to eliminate duplicates Z: 28 34.717 2.038 0.522 0.885 1.000 0.852 CB 1.556 28 residues pruned to eliminate duplicates Z: 18 12.340 1.808 0.353 0.837 1.000 0.706 CB 0.915 18 residues pruned to eliminate duplicates Z: 56 24.360 1.905 0.586 0.502 0.873 0.564 CB 1.243 57 residues pruned to eliminate duplicates Z: 15 10.935 1.812 0.222 0.879 0.929 0.714 CB 1.031 15 residues pruned to eliminate duplicates Z: 13 17.965 1.812 0.610 0.910 0.917 0.917 CA 1.375 12 residues pruned to eliminate duplicates Z: 16 28.176 1.892 0.773 0.913 1.000 0.867 CB 1.535 16 residues pruned to eliminate duplicates Z: 18 23.128 2.009 0.367 0.815 0.941 0.824 O 1.651 18 residues pruned to eliminate duplicates Z: 19 10.410 1.740 0.521 0.482 0.889 0.444 CB 1.062 17 residues pruned to eliminate duplicates Z: 30 18.135 1.939 0.680 0.467 0.828 0.448 CB 1.291 24 residues pruned to eliminate duplicates Z: 19 29.272 1.886 0.923 0.921 1.000 0.889 CB 1.338 19 residues pruned to eliminate duplicates Z: 11 16.400 1.832 0.523 0.907 1.000 0.900 CB 1.321 10 residues pruned to eliminate duplicates Z: 8 7.486 1.723 0.291 0.899 1.000 1.000 CB 0.910 Z: 15 23.302 1.951 0.507 0.915 1.000 0.929 CB 1.497 15 residues pruned to eliminate duplicates Z: 25 26.101 2.038 0.193 0.900 1.000 1.000 CB 1.566 25 residues pruned to eliminate duplicates Z: 25 25.010 2.003 0.282 0.903 1.000 0.875 CB 1.418 25 residues pruned to eliminate duplicates Z: 16 10.882 1.801 0.750 0.383 0.800 0.600 CB 1.262 16 residues pruned to eliminate duplicates Z: 17 17.499 1.777 0.599 0.758 1.000 0.688 CB 1.224 17 residues pruned to eliminate duplicates Z: 10 13.941 1.884 0.295 0.797 1.000 0.889 CB 1.469 10 residues pruned to eliminate duplicates Z: 26 27.371 2.035 0.443 0.868 0.960 0.760 CB 1.420 26 residues pruned to eliminate duplicates Z: 11 12.998 1.637 0.636 0.916 1.000 0.900 CB 1.084 Z: 17 21.958 1.833 0.367 0.904 1.000 0.812 CB 1.560 17 residues pruned to eliminate duplicates Z: 15 23.609 1.872 0.666 0.851 1.000 0.857 CB 1.498 14 residues pruned to eliminate duplicates Z: 19 21.938 1.807 0.773 0.878 1.000 0.778 CB 1.172 19 residues pruned to eliminate duplicates Z: 15 26.935 1.918 0.782 0.919 1.000 0.929 CB 1.485 15 residues pruned to eliminate duplicates Z: 27 18.171 1.824 0.637 0.637 0.885 0.538 CB 1.187 27 residues pruned to eliminate duplicates Z: 18 29.624 1.914 1.109 0.932 0.941 0.824 CB 1.320 18 residues pruned to eliminate duplicates Z: 21 20.535 1.918 0.575 0.707 0.950 0.900 CB 1.326 21 residues pruned to eliminate duplicates Z: 16 11.283 1.917 0.138 0.854 0.933 0.800 CB 1.057 16 residues pruned to eliminate duplicates Z: 8 3.286 1.631 0.611 0.459 0.857 0.714 CB 0.575 Z: 10 6.616 1.779 0.022 0.850 0.889 0.667 CB 1.011 10 residues pruned to eliminate duplicates Z: 11 10.620 1.654 0.519 0.879 1.000 0.900 CB 0.969 11 residues pruned to eliminate duplicates Z: 9 19.498 1.861 0.887 0.904 1.000 1.000 N 1.398 9 residues pruned to eliminate duplicates Z: 39 22.245 1.886 0.727 0.579 0.868 0.632 CB 1.182 39 residues pruned to eliminate duplicates Z: 17 15.500 1.732 0.526 0.805 0.938 0.812 CB 1.198 17 residues pruned to eliminate duplicates Z: 51 26.269 1.939 0.777 0.585 0.840 0.620 CB 1.184 54 residues pruned to eliminate duplicates Z: 9 14.523 1.729 0.963 0.778 0.875 0.875 CB 1.352 Z: 25 19.354 1.893 0.527 0.837 0.875 0.792 CB 1.168 25 residues pruned to eliminate duplicates Z: 10 14.508 1.776 0.598 0.866 1.000 0.889 CB 1.247 10 residues pruned to eliminate duplicates Z: 30 32.124 1.940 0.535 0.886 1.000 0.828 CB 1.446 30 residues pruned to eliminate duplicates Z: 15 21.940 1.856 0.820 0.837 0.929 0.786 CB 1.398 17 residues pruned to eliminate duplicates Z: 12 24.126 1.934 0.810 0.918 1.000 1.000 CB 1.465 12 residues pruned to eliminate duplicates Z: 15 14.408 1.716 0.539 0.885 0.929 0.786 CB 1.134 Z: 14 6.924 1.658 0.190 0.408 0.769 0.308 CB 1.393 14 residues pruned to eliminate duplicates Z: 33 21.123 1.815 0.695 0.580 0.875 0.594 CB 1.284 28 residues pruned to eliminate duplicates Z: 14 13.379 1.697 0.653 0.818 0.923 0.615 CB 1.087 15 residues pruned to eliminate duplicates Z: 11 12.541 1.725 0.469 0.843 0.900 0.600 CB 1.295 11 residues pruned to eliminate duplicates Z: 16 26.138 1.953 0.532 0.934 1.000 0.933 CB 1.573 16 residues pruned to eliminate duplicates Z: 7 13.968 1.892 0.740 0.856 1.000 0.833 CB 1.277 8 residues pruned to eliminate duplicates Z: 7 11.215 1.871 0.537 0.608 1.000 0.833 CB 1.437 Z: 9 12.681 1.823 0.429 0.909 1.000 0.875 CB 1.222 9 residues pruned to eliminate duplicates Z: 18 9.158 1.752 0.305 0.610 0.824 0.588 CB 1.063 12 residues pruned to eliminate duplicates Z: 14 23.931 1.968 0.619 0.912 1.000 1.000 CB 1.475 14 residues pruned to eliminate duplicates Z: 51 23.604 1.943 0.545 0.506 0.900 0.600 CB 1.228 51 residues pruned to eliminate duplicates Z: 6 10.594 1.858 0.421 0.767 1.000 0.800 N 1.417 6 residues pruned to eliminate duplicates Z: 9 12.670 1.938 0.230 0.882 1.000 0.875 CB 1.361 9 residues pruned to eliminate duplicates Z: 18 28.665 1.886 0.827 0.912 1.000 0.706 CB 1.429 18 residues pruned to eliminate duplicates Z: 7 4.719 1.550 0.239 0.335 1.000 0.500 CB 1.202 Z: 23 24.951 1.951 0.572 0.862 0.955 0.909 CB 1.334 23 residues pruned to eliminate duplicates Z: 8 4.113 1.400 0.363 0.305 0.857 0.571 CB 1.181 7 residues pruned to eliminate duplicates Z: 16 22.655 1.889 0.787 0.853 0.867 0.733 CB 1.478 16 residues pruned to eliminate duplicates Z: 35 19.477 1.892 0.528 0.451 0.912 0.618 CB 1.333 25 residues pruned to eliminate duplicates Z: 20 18.934 1.704 0.616 0.912 1.000 0.895 CB 1.117 18 residues pruned to eliminate duplicates Z: 15 13.685 1.858 0.773 0.313 0.929 0.429 CB 1.470 15 residues pruned to eliminate duplicates Z: 32 16.099 1.870 0.551 0.398 0.806 0.516 CB 1.376 32 residues pruned to eliminate duplicates Z: 14 20.102 1.819 0.704 0.860 1.000 0.615 CB 1.323 14 residues pruned to eliminate duplicates Z: 8 3.837 1.897 0.220 0.848 1.000 0.857 CB 0.465 Z: 27 33.860 2.091 0.580 0.890 1.000 0.923 CB 1.446 27 residues pruned to eliminate duplicates Z: 24 13.048 1.790 0.571 0.470 0.913 0.478 CB 1.092 16 residues pruned to eliminate duplicates Z: 9 11.417 1.860 0.469 0.734 0.875 0.750 CB 1.369 9 residues pruned to eliminate duplicates Z: 16 18.247 1.811 0.763 0.813 0.933 0.733 CB 1.205 16 residues pruned to eliminate duplicates Z: 8 8.438 1.750 0.673 0.798 0.857 0.714 CB 0.979 8 residues pruned to eliminate duplicates Z: 18 8.262 1.660 0.568 0.292 0.765 0.471 CB 1.272 18 residues pruned to eliminate duplicates Z: 10 6.237 1.860 0.609 0.744 1.000 0.778 CB 0.559 Z: 25 15.716 1.827 0.674 0.536 0.833 0.542 CB 1.214 17 residues pruned to eliminate duplicates Z: 7 14.539 1.943 0.824 0.795 0.833 0.500 CB 1.551 7 residues pruned to eliminate duplicates Z: 10 15.777 1.845 0.870 0.870 0.889 0.778 CB 1.252 10 residues pruned to eliminate duplicates Z: 26 28.029 2.045 0.507 0.867 1.000 0.600 CB 1.331 26 residues pruned to eliminate duplicates Z: 21 23.774 1.931 0.535 0.881 0.900 0.850 CB 1.443 19 residues pruned to eliminate duplicates Z: 16 18.893 1.957 0.576 0.915 1.000 1.000 CB 1.117 16 residues pruned to eliminate duplicates Z: 24 22.690 1.930 0.529 0.885 0.957 0.913 CB 1.210 24 residues pruned to eliminate duplicates Z: 9 4.439 1.598 0.183 0.489 0.875 0.625 CB 0.959 Z: 8 9.139 1.817 0.386 0.833 1.000 0.714 CB 1.030 8 residues pruned to eliminate duplicates Z: 9 3.312 1.461 0.893 0.345 0.875 0.500 CB 0.573 Z: 7 9.272 1.545 0.646 0.886 1.000 0.833 N 1.074 7 residues pruned to eliminate duplicates Z: 27 28.573 2.027 0.618 0.858 0.962 0.769 CB 1.309 27 residues pruned to eliminate duplicates Z: 28 28.926 1.932 0.528 0.880 1.000 0.593 CB 1.367 28 residues pruned to eliminate duplicates Z: 16 12.837 1.786 0.347 0.875 0.867 0.867 CB 1.156 16 residues pruned to eliminate duplicates Z: 20 7.708 1.602 0.569 0.320 0.895 0.368 CB 0.958 20 residues pruned to eliminate duplicates Z: 11 11.498 1.876 0.708 0.464 0.800 0.700 CB 1.471 11 residues pruned to eliminate duplicates Z: 34 15.730 1.812 0.467 0.595 0.909 0.576 CB 1.035 27 residues pruned to eliminate duplicates Z: 9 2.935 1.346 0.501 0.311 0.625 0.500 N 1.014 Z: 16 26.762 1.789 1.029 0.889 0.933 0.667 CB 1.469 16 residues pruned to eliminate duplicates Z: 17 15.484 1.777 0.328 0.773 0.938 0.625 CB 1.375 15 residues pruned to eliminate duplicates Z: 26 27.076 1.873 0.587 0.902 1.000 0.760 CB 1.300 24 residues pruned to eliminate duplicates Z: 11 10.543 1.675 1.087 0.769 0.800 0.600 CB 0.940 11 residues pruned to eliminate duplicates Z: 9 18.040 1.921 0.631 0.883 1.000 0.875 CB 1.472 9 residues pruned to eliminate duplicates Z: 12 17.601 1.759 0.917 0.882 0.909 0.727 CB 1.253 12 residues pruned to eliminate duplicates Z: 11 8.260 1.666 0.226 0.768 0.900 0.600 CB 1.121 11 residues pruned to eliminate duplicates Z: 20 27.100 2.010 0.724 0.827 1.000 0.737 CB 1.352 20 residues pruned to eliminate duplicates Z: 8 2.461 1.399 0.941 0.277 0.429 0.429 N 1.028 Z: 8 7.418 1.764 0.845 0.579 0.857 0.714 CB 0.931 Z: 15 14.493 1.663 0.689 0.871 1.000 0.643 CB 1.006 14 residues pruned to eliminate duplicates Z: 19 24.806 1.938 0.525 0.893 1.000 0.833 CB 1.421 19 residues pruned to eliminate duplicates Z: 16 21.875 1.978 0.639 0.905 1.000 0.800 CB 1.239 16 residues pruned to eliminate duplicates Z: 15 12.655 1.758 0.239 0.895 0.929 0.643 CB 1.199 15 residues pruned to eliminate duplicates Z: 23 19.771 1.975 0.504 0.580 0.955 0.682 CB 1.377 23 residues pruned to eliminate duplicates Z: 11 10.708 1.892 0.641 0.566 0.800 0.600 CB 1.279 11 residues pruned to eliminate duplicates Z: 10 22.988 1.956 0.736 0.893 1.000 0.778 CB 1.619 10 residues pruned to eliminate duplicates Z: 15 18.714 1.829 0.560 0.783 0.929 0.714 CB 1.472 15 residues pruned to eliminate duplicates Z: 18 24.940 1.958 0.790 0.880 0.941 0.824 CB 1.329 18 residues pruned to eliminate duplicates Z: 16 25.312 1.937 0.935 0.906 1.000 0.733 CB 1.240 17 residues pruned to eliminate duplicates Z: 7 11.259 1.626 0.658 0.861 1.000 1.000 CA 1.253 7 residues pruned to eliminate duplicates Z: 17 17.271 1.763 0.631 0.790 0.875 0.625 CB 1.330 17 residues pruned to eliminate duplicates Z: 18 13.988 1.797 0.437 0.806 0.941 0.706 CB 1.069 18 residues pruned to eliminate duplicates Z: 17 17.147 1.787 0.398 0.892 1.000 0.688 CB 1.232 17 residues pruned to eliminate duplicates Z: 12 15.597 1.942 0.493 0.871 1.000 0.727 CB 1.183 12 residues pruned to eliminate duplicates Z: 20 20.944 1.839 0.771 0.892 0.895 0.526 CB 1.185 20 residues pruned to eliminate duplicates Z: 53 24.138 1.901 0.540 0.500 0.904 0.577 CB 1.265 53 residues pruned to eliminate duplicates Z: 9 4.665 1.421 0.583 0.409 0.875 0.500 CB 0.922 Z: 12 6.998 1.734 0.647 0.370 0.636 0.636 N 1.335 12 residues pruned to eliminate duplicates Z: 61 27.759 1.885 0.751 0.495 0.883 0.533 CB 1.236 61 residues pruned to eliminate duplicates Z: 7 6.441 1.582 0.505 0.636 0.833 0.667 CA 1.167 Z: 13 10.834 1.732 0.444 0.694 0.917 0.333 CB 1.142 13 residues pruned to eliminate duplicates Z: 21 9.762 1.755 0.533 0.591 0.700 0.500 CB 1.062 21 residues pruned to eliminate duplicates Z: 22 12.289 1.839 0.362 0.439 0.857 0.667 CB 1.331 15 residues pruned to eliminate duplicates Z: 7 4.674 1.762 0.698 0.853 0.833 0.833 CB 0.566 7 residues pruned to eliminate duplicates Z: 16 7.814 1.724 0.326 0.332 0.933 0.533 CB 1.136 16 residues pruned to eliminate duplicates Z: 16 14.820 1.786 0.283 0.913 1.000 0.800 CB 1.182 16 residues pruned to eliminate duplicates Z: 8 8.452 1.569 0.814 0.841 1.000 0.857 CB 0.837 Z: 10 12.868 1.676 0.647 0.910 1.000 1.000 CB 1.102 10 residues pruned to eliminate duplicates Z: 6 3.228 1.438 0.731 0.428 0.600 0.600 N 1.041 Z: 9 3.905 1.677 0.091 0.769 0.875 0.750 CB 0.680 Z: 17 22.000 1.807 0.746 0.820 1.000 0.688 CB 1.320 17 residues pruned to eliminate duplicates Z: 19 24.337 1.872 0.506 0.905 1.000 0.889 CB 1.448 18 residues pruned to eliminate duplicates Z: 11 3.084 1.598 0.623 0.568 0.900 0.700 CB 0.391 8 residues pruned to eliminate duplicates Z: 7 7.451 1.550 0.515 0.751 1.000 0.500 CB 1.036 Z: 7 13.085 1.928 0.735 0.844 1.000 0.833 CB 1.188 7 residues pruned to eliminate duplicates Z: 8 17.040 1.623 1.031 0.852 1.000 0.571 CB 1.445 9 residues pruned to eliminate duplicates Z: 14 24.029 1.954 0.638 0.916 1.000 0.923 CB 1.471 14 residues pruned to eliminate duplicates Z: 15 12.804 1.625 0.506 0.884 0.929 0.857 CB 1.088 15 residues pruned to eliminate duplicates Z: 28 34.203 2.038 0.502 0.867 1.000 0.852 CB 1.573 28 residues pruned to eliminate duplicates Z: 12 4.488 1.637 0.305 0.280 0.636 0.273 N 1.275 12 residues pruned to eliminate duplicates Z: 13 16.019 1.784 0.811 0.888 1.000 0.583 CB 1.031 13 residues pruned to eliminate duplicates Z: 8 3.695 1.391 0.561 0.413 0.571 0.571 O 1.234 Z: 18 14.893 1.770 0.701 0.880 0.882 0.647 CB 0.985 18 residues pruned to eliminate duplicates Z: 12 5.427 1.603 0.288 0.440 0.818 0.455 CB 1.030 Z: 20 14.745 1.843 0.509 0.635 0.842 0.632 CB 1.273 20 residues pruned to eliminate duplicates Z: 13 16.953 2.032 0.403 0.803 0.917 0.833 CB 1.437 13 residues pruned to eliminate duplicates Z: 9 11.156 1.770 0.760 0.867 0.875 0.875 CB 1.059 9 residues pruned to eliminate duplicates Z: 8 5.109 1.639 0.397 0.376 0.714 0.286 N 1.348 Z: 17 17.568 1.744 0.492 0.838 1.000 0.750 CB 1.261 17 residues pruned to eliminate duplicates Z: 29 31.205 1.969 0.644 0.861 0.929 0.786 CB 1.441 29 residues pruned to eliminate duplicates Z: 15 13.782 1.767 0.313 0.701 1.000 0.714 CB 1.322 18 residues pruned to eliminate duplicates Z: 18 23.656 1.925 0.712 0.791 0.941 0.824 CB 1.433 17 residues pruned to eliminate duplicates Z: 7 3.188 1.386 0.595 0.493 0.667 0.500 CB 0.889 Z: 8 5.255 1.579 -0.116 0.799 1.000 0.857 CB 1.096 7 residues pruned to eliminate duplicates Z: 15 10.075 1.673 0.148 0.882 0.929 0.714 CB 1.092 15 residues pruned to eliminate duplicates Z: 11 14.415 1.838 0.803 0.861 0.900 0.800 CB 1.123 11 residues pruned to eliminate duplicates Z: 10 8.731 1.887 0.619 0.771 1.000 1.000 CB 0.750 9 residues pruned to eliminate duplicates Z: 8 5.393 1.556 0.340 0.271 1.000 0.571 CB 1.268 7 residues pruned to eliminate duplicates Z: 9 2.502 1.441 0.315 0.423 0.750 0.625 N 0.675 9 residues pruned to eliminate duplicates Z: 18 25.699 1.938 0.834 0.824 0.941 0.824 CB 1.408 18 residues pruned to eliminate duplicates Z: 27 23.584 1.914 0.534 0.859 0.923 0.808 CB 1.256 27 residues pruned to eliminate duplicates Z: 14 12.547 1.786 0.498 0.807 0.923 0.538 CB 1.079 14 residues pruned to eliminate duplicates Z: 11 9.497 1.703 0.271 0.803 0.900 0.600 CB 1.183 11 residues pruned to eliminate duplicates Z: 8 5.490 1.437 0.936 0.438 0.857 0.714 CB 0.928 8 residues pruned to eliminate duplicates Z: 8 2.053 1.469 0.144 0.213 0.571 0.571 O 1.133 8 residues pruned to eliminate duplicates Z: 11 8.829 1.327 0.759 0.816 0.900 0.700 CB 1.010 Z: 18 33.957 1.941 1.083 0.928 1.000 0.941 CB 1.427 20 residues pruned to eliminate duplicates Z: 13 17.298 1.931 0.456 0.881 0.917 0.750 CB 1.403 13 residues pruned to eliminate duplicates Z: 9 3.033 1.501 0.102 0.405 0.750 0.375 CB 0.955 Z: 17 19.945 1.895 0.822 0.899 1.000 0.875 CB 1.032 17 residues pruned to eliminate duplicates Z: 44 23.029 1.881 0.663 0.465 0.860 0.581 CB 1.352 44 residues pruned to eliminate duplicates Z: 36 25.386 1.993 0.653 0.492 0.943 0.629 CB 1.393 38 residues pruned to eliminate duplicates Z: 12 11.005 1.693 0.543 0.806 0.909 0.636 CB 1.070 12 residues pruned to eliminate duplicates 7 1.801 1.538 -0.029 0.169 0.833 0.333 CB 0.883 ? Z: 7 2.888 1.487 0.416 0.215 0.667 0.167 C 1.174 Z: 9 18.666 1.912 0.659 0.887 1.000 0.875 CA 1.501 9 residues pruned to eliminate duplicates Z: 24 20.455 1.824 0.816 0.839 0.783 0.522 CB 1.229 24 residues pruned to eliminate duplicates Z: 6 5.914 1.570 0.089 0.841 1.000 1.000 N 1.153 Z: 6 8.149 1.957 0.639 0.678 1.000 0.800 CB 0.964 7 residues pruned to eliminate duplicates Z: 28 32.400 2.014 0.612 0.888 0.963 0.815 CB 1.437 28 residues pruned to eliminate duplicates Z: 6 3.761 1.383 0.579 0.498 0.800 0.400 N 0.964 Z: 7 9.727 1.863 0.445 0.879 1.000 1.000 CB 1.069 7 residues pruned to eliminate duplicates Z: 6 3.079 1.752 0.279 0.292 0.800 0.400 CB 0.969 5 residues pruned to eliminate duplicates Z: 7 2.783 1.597 0.180 0.310 0.667 0.333 CB 1.116 7 residues pruned to eliminate duplicates Z: 24 25.032 1.939 0.710 0.855 0.913 0.826 CB 1.273 24 residues pruned to eliminate duplicates Z: 8 4.984 1.450 0.329 0.860 0.714 0.429 CB 1.007 8 residues pruned to eliminate duplicates Z: 6 2.860 1.561 0.084 0.275 0.800 0.800 CB 1.220 Z: 17 20.248 1.791 0.696 0.837 0.938 0.938 CB 1.329 17 residues pruned to eliminate duplicates Z: 7 8.784 1.672 0.684 0.562 1.000 0.833 CA 1.199 20 residues pruned to eliminate duplicates Z: 38 20.859 1.844 0.454 0.579 0.892 0.622 CB 1.329 38 residues pruned to eliminate duplicates Z: 7 6.265 1.707 0.221 0.892 1.000 1.000 CB 0.882 Z: 6 7.576 1.695 0.306 0.666 1.000 0.600 CB 1.312 Z: 14 6.504 1.572 0.611 0.173 0.769 0.308 O 1.377 9 residues pruned to eliminate duplicates 7 1.646 1.315 0.350 0.507 0.833 0.167 CB 0.451 ? Z: 10 8.390 1.498 0.455 0.909 0.889 0.889 CB 1.025 12 residues pruned to eliminate duplicates Z: 7 7.103 1.527 0.548 0.723 0.833 0.667 N 1.204 Z: 28 20.990 1.908 0.714 0.486 0.926 0.630 CB 1.353 33 residues pruned to eliminate duplicates Z: 6 2.368 1.355 0.239 0.447 0.600 0.400 O 1.110 Z: 10 9.184 1.510 0.385 0.913 1.000 0.889 CB 1.035 10 residues pruned to eliminate duplicates Z: 23 25.618 1.936 0.599 0.867 0.909 0.545 CB 1.419 23 residues pruned to eliminate duplicates Z: 8 6.225 1.507 0.006 0.885 1.000 0.857 CB 1.121 6 residues pruned to eliminate duplicates Z: 15 10.448 1.687 0.178 0.879 0.929 0.714 CB 1.097 15 residues pruned to eliminate duplicates Z: 8 6.990 1.524 0.765 0.580 0.857 0.571 CB 1.061 8 residues pruned to eliminate duplicates Z: 17 23.416 1.821 0.738 0.857 1.000 1.000 CB 1.362 17 residues pruned to eliminate duplicates Z: 10 6.504 1.533 0.469 0.580 0.667 0.444 CB 1.338 10 residues pruned to eliminate duplicates Z: 10 4.804 1.424 0.560 0.410 0.667 0.556 N 1.188 10 residues pruned to eliminate duplicates Z: 12 6.358 1.904 0.501 0.746 1.000 0.636 CB 0.538 10 residues pruned to eliminate duplicates Z: 52 24.360 1.918 0.474 0.533 0.941 0.627 CB 1.241 52 residues pruned to eliminate duplicates Z: 16 18.875 1.860 0.738 0.781 0.933 0.667 CB 1.261 16 residues pruned to eliminate duplicates Z: 11 4.911 1.537 0.702 0.263 0.800 0.500 CB 0.973 11 residues pruned to eliminate duplicates Z: 9 7.643 1.625 0.429 0.793 0.875 0.375 CB 1.028 9 residues pruned to eliminate duplicates Z: 15 21.797 1.855 0.733 0.916 0.929 0.857 CB 1.378 15 residues pruned to eliminate duplicates Z: 10 3.089 1.319 0.273 0.319 0.889 0.444 N 0.843 Z: 9 7.055 1.463 0.583 0.845 0.875 0.625 N 0.916 9 residues pruned to eliminate duplicates Z: 9 2.147 1.523 0.280 0.195 0.500 0.375 N 1.119 Z: 13 24.898 1.974 0.724 0.927 1.000 0.917 CB 1.480 14 residues pruned to eliminate duplicates Z: 7 2.641 1.485 0.428 0.426 0.833 0.667 CB 0.659 Z: 9 9.009 1.426 0.878 0.911 1.000 0.750 CB 0.843 9 residues pruned to eliminate duplicates Z: 10 10.845 1.714 0.681 0.757 1.000 0.778 CB 0.998 9 residues pruned to eliminate duplicates Z: 12 7.516 1.669 0.631 0.801 0.909 0.636 CB 0.704 12 residues pruned to eliminate duplicates Z: 13 14.334 1.714 0.629 0.886 1.000 0.667 CB 1.069 13 residues pruned to eliminate duplicates Z: 9 6.626 1.747 0.402 0.540 0.875 0.750 CB 1.051 9 residues pruned to eliminate duplicates Z: 16 15.322 1.828 0.342 0.897 0.933 0.800 CB 1.237 16 residues pruned to eliminate duplicates Z: 8 3.262 1.540 0.488 0.229 0.571 0.571 CB 1.291 Z: 9 4.738 1.604 0.227 0.507 0.750 0.500 CB 1.127 Z: 34 20.825 1.865 0.664 0.480 0.909 0.515 CB 1.312 35 residues pruned to eliminate duplicates Z: 6 3.585 1.772 0.241 0.836 1.000 0.800 CB 0.546 Z: 8 6.146 1.613 0.476 0.638 0.857 0.857 CB 1.000 8 residues pruned to eliminate duplicates Z: 25 26.679 1.907 0.778 0.861 0.958 0.667 CB 1.232 25 residues pruned to eliminate duplicates Z: 15 24.718 1.947 0.593 0.902 1.000 1.000 CB 1.519 15 residues pruned to eliminate duplicates Z: 19 20.690 1.759 0.672 0.781 0.944 0.722 CB 1.371 19 residues pruned to eliminate duplicates Z: 16 14.320 1.799 0.406 0.858 0.933 0.333 CB 1.154 16 residues pruned to eliminate duplicates Z: 12 4.531 1.553 0.497 0.417 0.818 0.545 CB 0.783 Z: 6 3.948 1.811 0.326 0.830 1.000 0.800 CB 0.553 5 residues pruned to eliminate duplicates Z: 14 16.155 1.783 0.524 0.900 1.000 0.846 CB 1.178 14 residues pruned to eliminate duplicates Z: 22 14.821 1.866 0.658 0.553 0.857 0.571 CB 1.158 22 residues pruned to eliminate duplicates Z: 12 9.691 1.767 0.347 0.725 0.818 0.636 CB 1.225 12 residues pruned to eliminate duplicates Z: 6 2.565 1.651 0.517 0.717 1.000 0.800 CB 0.376 6 1.406 0.987 0.270 0.571 0.800 0.400 CB 0.585 ? Using tripeptides from previous cycle as seeds Z: 6 4.353 1.445 0.569 0.424 0.800 0.400 N 1.163 Z: 6 5.007 1.623 0.462 0.370 1.000 0.400 CA 1.084 7 residues pruned to eliminate duplicates Z: 15 11.419 1.596 0.752 0.735 1.000 0.714 CB 0.884 13 residues pruned to eliminate duplicates Z: 8 6.587 1.526 0.859 0.835 0.857 0.714 CB 0.767 8 residues pruned to eliminate duplicates Z: 13 8.683 1.620 0.861 0.477 0.917 0.500 CB 0.928 12 residues pruned to eliminate duplicates Z: 10 7.649 1.530 0.865 0.878 0.889 0.889 CB 0.729 10 residues pruned to eliminate duplicates Z: 13 8.301 1.608 0.463 0.590 0.917 0.583 CB 1.019 13 residues pruned to eliminate duplicates Z: 14 9.692 1.616 0.464 0.657 1.000 0.615 CB 0.982 14 residues pruned to eliminate duplicates Z: 14 9.449 1.636 0.505 0.642 0.923 0.462 CB 1.010 14 residues pruned to eliminate duplicates Z: 7 2.265 1.439 0.628 0.255 0.500 0.333 O 1.045 7 residues pruned to eliminate duplicates Z: 18 9.388 1.618 0.359 0.476 0.882 0.529 CB 1.202 9 residues pruned to eliminate duplicates Z: 7 3.051 1.422 0.672 0.233 0.667 0.167 C 1.072 7 residues pruned to eliminate duplicates Z: 14 6.363 1.532 0.384 0.394 0.923 0.769 CB 1.008 15 residues pruned to eliminate duplicates Z: 6 3.159 1.443 0.250 0.451 0.800 0.800 CB 1.029 6 residues pruned to eliminate duplicates Z: 6 2.794 1.219 0.427 0.378 1.000 0.800 CB 0.819 6 residues pruned to eliminate duplicates Z: 6 6.891 1.557 0.477 0.864 1.000 0.600 CB 0.983 6 residues pruned to eliminate duplicates Z: 7 9.195 1.589 0.754 0.818 1.000 0.667 CB 1.021 7 residues pruned to eliminate duplicates Z: 6 3.747 1.538 0.507 0.699 0.800 0.600 CB 0.754 6 residues pruned to eliminate duplicates Z: 6 5.893 1.581 0.751 0.739 1.000 0.600 CB 0.768 6 residues pruned to eliminate duplicates Z: 7 7.994 1.524 0.699 0.829 1.000 0.833 CB 0.948 7 residues pruned to eliminate duplicates Z: 11 10.621 1.765 0.657 0.604 1.000 0.800 CB 1.040 11 residues pruned to eliminate duplicates Z: 7 16.444 1.969 0.984 0.832 1.000 0.833 CB 1.290 7 residues pruned to eliminate duplicates Z: 10 13.505 1.754 0.991 0.761 0.889 0.667 CB 1.150 10 residues pruned to eliminate duplicates Z: 11 11.304 1.753 0.885 0.587 1.000 0.400 CB 0.995 11 residues pruned to eliminate duplicates Z: 8 12.741 1.759 1.093 0.855 1.000 0.857 CB 0.965 8 residues pruned to eliminate duplicates Z: 16 15.218 1.681 1.090 0.580 0.867 0.667 CB 1.195 9 residues pruned to eliminate duplicates Z: 16 22.568 1.958 0.503 0.908 1.000 0.800 CB 1.406 16 residues pruned to eliminate duplicates Z: 20 22.626 1.934 0.654 0.722 0.947 0.789 CB 1.402 20 residues pruned to eliminate duplicates Z: 18 23.890 2.013 0.586 0.744 1.000 0.824 CB 1.459 18 residues pruned to eliminate duplicates Z: 20 20.569 1.911 0.405 0.769 1.000 0.789 CB 1.385 20 residues pruned to eliminate duplicates Z: 20 23.454 1.924 0.739 0.749 1.000 0.789 CB 1.288 20 residues pruned to eliminate duplicates Z: 20 20.781 1.902 0.685 0.743 0.895 0.579 CB 1.338 20 residues pruned to eliminate duplicates Z: 19 27.343 1.947 0.809 0.753 1.000 0.611 CB 1.460 19 residues pruned to eliminate duplicates Z: 16 26.723 1.907 1.045 0.885 0.933 0.733 CB 1.368 16 residues pruned to eliminate duplicates Z: 33 20.840 1.778 0.778 0.627 0.875 0.500 CB 1.182 50 residues pruned to eliminate duplicates Z: 25 24.319 1.900 0.725 0.722 1.000 0.708 CB 1.240 8 residues pruned to eliminate duplicates Z: 17 26.982 1.827 0.772 0.921 1.000 0.812 CB 1.466 18 residues pruned to eliminate duplicates Z: 16 26.480 1.935 0.743 0.905 1.000 0.733 CB 1.442 16 residues pruned to eliminate duplicates Z: 24 23.498 1.936 0.776 0.695 1.000 0.739 CB 1.193 24 residues pruned to eliminate duplicates Z: 20 21.802 1.929 0.675 0.758 0.947 0.684 CB 1.299 19 residues pruned to eliminate duplicates Z: 17 26.952 2.009 0.893 0.802 1.000 0.625 CB 1.360 17 residues pruned to eliminate duplicates Z: 24 21.397 1.898 0.789 0.663 0.913 0.522 CB 1.238 24 residues pruned to eliminate duplicates Z: 7 8.163 1.853 0.375 0.690 0.833 0.667 CB 1.319 7 residues pruned to eliminate duplicates Z: 31 24.584 1.924 0.529 0.691 0.933 0.633 CB 1.373 31 residues pruned to eliminate duplicates Z: 18 23.588 1.891 0.617 0.909 1.000 0.882 CB 1.327 18 residues pruned to eliminate duplicates Z: 24 21.991 1.962 0.696 0.653 0.913 0.652 CB 1.309 24 residues pruned to eliminate duplicates Z: 36 36.440 1.950 0.734 0.809 1.000 0.857 CB 1.392 36 residues pruned to eliminate duplicates Z: 19 33.222 1.893 1.091 0.925 1.000 0.889 CB 1.388 19 residues pruned to eliminate duplicates Z: 31 35.801 1.944 0.917 0.765 1.000 0.800 CB 1.387 31 residues pruned to eliminate duplicates Z: 37 36.356 1.915 0.868 0.790 1.000 0.778 CB 1.313 37 residues pruned to eliminate duplicates Z: 36 39.796 1.944 0.987 0.817 1.000 0.714 CB 1.322 36 residues pruned to eliminate duplicates Z: 16 25.687 1.835 1.091 0.871 0.867 0.667 CB 1.454 16 residues pruned to eliminate duplicates Z: 36 40.448 1.952 0.872 0.819 1.000 0.686 CB 1.418 36 residues pruned to eliminate duplicates Z: 18 30.560 1.899 1.126 0.910 1.000 0.647 CB 1.302 18 residues pruned to eliminate duplicates Z: 36 37.966 1.926 1.016 0.771 1.000 0.571 CB 1.301 36 residues pruned to eliminate duplicates Z: 35 38.283 1.939 0.971 0.807 0.971 0.618 CB 1.354 35 residues pruned to eliminate duplicates Z: 39 35.741 1.868 1.009 0.736 0.947 0.658 CB 1.319 39 residues pruned to eliminate duplicates Z: 33 35.046 1.944 0.954 0.704 0.938 0.750 CB 1.444 33 residues pruned to eliminate duplicates Z: 37 40.955 1.935 0.996 0.795 1.000 0.583 CB 1.364 37 residues pruned to eliminate duplicates Z: 37 40.844 1.925 0.999 0.778 1.000 0.667 CB 1.384 37 residues pruned to eliminate duplicates Z: 37 41.765 1.923 1.050 0.824 1.000 0.667 CB 1.334 36 residues pruned to eliminate duplicates Z: 9 14.679 1.652 1.028 0.798 1.000 0.500 CB 1.194 9 residues pruned to eliminate duplicates Z: 9 17.335 1.819 0.800 0.813 1.000 0.750 CB 1.426 9 residues pruned to eliminate duplicates Z: 9 14.523 1.760 1.038 0.674 1.000 0.625 CB 1.219 9 residues pruned to eliminate duplicates Z: 16 12.096 1.781 0.621 0.569 0.933 0.533 CB 1.084 15 residues pruned to eliminate duplicates Z: 8 16.026 1.837 1.056 0.672 1.000 0.571 CB 1.369 8 residues pruned to eliminate duplicates Z: 10 9.894 1.747 0.936 0.655 0.778 0.667 CB 1.085 10 residues pruned to eliminate duplicates Z: 9 14.722 1.754 1.061 0.746 1.000 0.875 CB 1.156 9 residues pruned to eliminate duplicates Z: 18 11.701 1.862 0.523 0.498 0.882 0.647 CB 1.136 18 residues pruned to eliminate duplicates Z: 8 8.775 1.754 0.799 0.705 0.857 0.429 CB 1.018 8 residues pruned to eliminate duplicates Z: 16 21.342 1.953 0.793 0.860 1.000 0.600 CB 1.157 16 residues pruned to eliminate duplicates Z: 18 18.019 1.754 0.766 0.774 0.882 0.706 CB 1.255 18 residues pruned to eliminate duplicates Z: 21 19.261 1.935 0.693 0.715 0.900 0.800 CB 1.203 28 residues pruned to eliminate duplicates Z: 18 22.382 1.755 0.880 0.854 1.000 0.824 CB 1.215 18 residues pruned to eliminate duplicates Z: 16 21.524 1.958 0.793 0.897 0.933 0.800 CB 1.215 16 residues pruned to eliminate duplicates Z: 18 20.991 1.964 0.795 0.791 1.000 0.882 CB 1.119 18 residues pruned to eliminate duplicates Z: 16 23.585 1.966 0.961 0.901 1.000 0.667 CB 1.127 16 residues pruned to eliminate duplicates Z: 15 26.207 2.008 1.028 0.894 1.000 0.929 CB 1.235 15 residues pruned to eliminate duplicates Z: 21 19.856 1.894 0.800 0.668 0.950 0.700 CB 1.174 21 residues pruned to eliminate duplicates Z: 22 19.297 1.838 0.761 0.684 0.952 0.762 CB 1.153 22 residues pruned to eliminate duplicates Z: 20 22.620 1.960 0.828 0.690 1.000 0.684 CB 1.217 15 residues pruned to eliminate duplicates Z: 16 24.496 1.957 0.919 0.857 1.000 0.600 CB 1.241 16 residues pruned to eliminate duplicates Z: 30 22.430 1.827 0.788 0.558 0.966 0.586 CB 1.248 34 residues pruned to eliminate duplicates Z: 36 30.625 1.874 0.598 0.791 1.000 0.800 CB 1.339 36 residues pruned to eliminate duplicates Z: 31 26.019 1.913 0.668 0.722 0.933 0.800 CB 1.305 31 residues pruned to eliminate duplicates Z: 25 23.704 1.890 0.631 0.675 1.000 0.833 CB 1.336 25 residues pruned to eliminate duplicates Z: 20 24.540 1.797 0.665 0.871 1.000 0.789 CB 1.372 20 residues pruned to eliminate duplicates Z: 37 34.475 1.906 0.754 0.768 1.000 0.667 CB 1.355 37 residues pruned to eliminate duplicates Z: 36 32.989 1.921 0.720 0.778 0.971 0.800 CB 1.359 36 residues pruned to eliminate duplicates Z: 37 32.859 1.904 0.662 0.767 1.000 0.694 CB 1.366 37 residues pruned to eliminate duplicates Z: 16 23.427 1.901 0.597 0.842 1.000 0.733 CB 1.486 16 residues pruned to eliminate duplicates Z: 17 21.012 1.864 0.525 0.769 1.000 0.500 CB 1.456 17 residues pruned to eliminate duplicates Z: 17 22.615 1.886 0.549 0.843 1.000 0.688 CB 1.441 17 residues pruned to eliminate duplicates Z: 20 18.832 1.798 0.804 0.601 0.947 0.632 CB 1.277 20 residues pruned to eliminate duplicates Z: 15 23.846 1.887 0.692 0.840 1.000 0.714 CB 1.489 15 residues pruned to eliminate duplicates Z: 17 20.144 1.881 0.584 0.764 0.938 0.625 CB 1.426 17 residues pruned to eliminate duplicates Z: 16 22.731 1.908 0.590 0.820 1.000 0.667 CB 1.466 16 residues pruned to eliminate duplicates Z: 17 22.045 1.855 0.645 0.766 1.000 0.625 CB 1.426 17 residues pruned to eliminate duplicates Z: 32 26.673 1.841 0.710 0.723 0.968 0.581 CB 1.285 32 residues pruned to eliminate duplicates Z: 19 19.205 1.800 0.731 0.752 0.889 0.611 CB 1.305 19 residues pruned to eliminate duplicates Z: 16 17.056 1.853 0.433 0.810 1.000 0.600 CB 1.266 16 residues pruned to eliminate duplicates Z: 17 21.248 1.817 0.731 0.809 1.000 0.625 CB 1.290 17 residues pruned to eliminate duplicates Z: 8 5.121 1.693 0.456 0.417 0.857 0.286 CB 0.999 6 residues pruned to eliminate duplicates Z: 7 7.628 1.432 0.961 0.686 0.833 0.333 CB 1.122 7 residues pruned to eliminate duplicates Z: 6 5.252 1.545 0.569 0.412 1.000 0.600 N 1.062 6 residues pruned to eliminate duplicates Z: 16 14.322 1.795 0.572 0.711 1.000 0.800 CB 1.083 16 residues pruned to eliminate duplicates Z: 17 13.978 1.840 0.437 0.670 1.000 0.812 CB 1.129 17 residues pruned to eliminate duplicates Z: 14 13.691 1.802 0.409 0.715 1.000 0.923 CB 1.231 14 residues pruned to eliminate duplicates Z: 16 14.257 1.804 0.623 0.644 0.933 0.600 CB 1.178 16 residues pruned to eliminate duplicates Z: 16 14.025 1.798 0.561 0.681 0.933 0.733 CB 1.170 16 residues pruned to eliminate duplicates Z: 20 10.823 1.727 0.501 0.497 0.895 0.579 CB 1.073 20 residues pruned to eliminate duplicates Z: 15 15.088 1.812 0.556 0.686 1.000 0.929 CB 1.206 15 residues pruned to eliminate duplicates Z: 16 15.873 1.840 0.568 0.704 1.000 0.733 CB 1.180 16 residues pruned to eliminate duplicates Z: 21 17.634 1.773 0.699 0.621 0.950 0.650 CB 1.230 23 residues pruned to eliminate duplicates Z: 9 16.143 1.913 0.585 0.904 1.000 1.000 CB 1.341 9 residues pruned to eliminate duplicates Z: 9 3.662 1.505 0.225 0.251 0.875 0.375 N 1.069 Z: 7 5.493 1.408 0.477 0.499 1.000 0.667 O 1.079 7 residues pruned to eliminate duplicates Z: 10 6.544 1.497 0.123 0.690 1.000 0.889 CB 1.091 15 residues pruned to eliminate duplicates Z: 8 5.358 1.481 0.046 0.857 0.857 0.714 CB 1.124 8 residues pruned to eliminate duplicates Z: 11 7.024 1.536 0.317 0.514 1.000 0.800 CB 1.083 12 residues pruned to eliminate duplicates Z: 7 7.106 1.537 0.359 0.855 1.000 0.833 CB 1.025 8 residues pruned to eliminate duplicates Z: 8 7.577 1.491 0.366 0.832 1.000 1.000 CB 1.056 7 residues pruned to eliminate duplicates Z: 7 6.113 1.583 0.055 0.830 1.000 0.833 CB 1.123 7 residues pruned to eliminate duplicates Z: 10 5.963 1.486 0.179 0.657 1.000 0.667 CB 0.980 10 residues pruned to eliminate duplicates Z: 23 10.530 1.742 0.267 0.320 0.909 0.409 CB 1.365 23 residues pruned to eliminate duplicates Z: 6 3.385 1.457 0.711 0.294 0.800 0.400 N 0.957 6 residues pruned to eliminate duplicates Z: 18 14.734 1.858 0.725 0.463 0.882 0.529 CB 1.312 35 residues pruned to eliminate duplicates Z: 6 2.287 1.484 0.497 0.299 0.600 0.400 O 0.960 6 residues pruned to eliminate duplicates Z: 17 14.386 1.879 0.512 0.474 0.938 0.625 CB 1.386 17 residues pruned to eliminate duplicates Z: 15 14.810 1.957 0.680 0.513 0.857 0.714 CB 1.386 15 residues pruned to eliminate duplicates Z: 16 11.998 1.894 0.486 0.406 0.867 0.733 CB 1.402 16 residues pruned to eliminate duplicates Z: 16 13.697 1.898 0.734 0.440 0.867 0.667 CB 1.319 16 residues pruned to eliminate duplicates Z: 15 15.386 1.939 0.541 0.513 0.929 0.714 CB 1.464 15 residues pruned to eliminate duplicates Z: 21 14.003 1.847 0.603 0.383 0.800 0.700 CB 1.497 22 residues pruned to eliminate duplicates Z: 9 6.213 1.750 0.044 0.661 1.000 1.000 CB 1.035 Z: 9 5.917 1.704 0.030 0.639 1.000 0.875 CB 1.046 9 residues pruned to eliminate duplicates Z: 9 7.782 1.547 0.019 0.833 1.000 0.750 CB 1.310 8 residues pruned to eliminate duplicates Z: 9 9.083 1.590 0.180 0.786 1.000 0.750 CB 1.332 10 residues pruned to eliminate duplicates Z: 8 8.075 1.597 0.107 0.768 1.000 0.714 CB 1.362 8 residues pruned to eliminate duplicates Z: 9 9.746 1.580 0.285 0.818 1.000 0.500 O 1.287 9 residues pruned to eliminate duplicates Z: 8 7.323 1.646 0.301 0.801 1.000 0.429 CB 0.994 8 residues pruned to eliminate duplicates Z: 13 18.505 1.765 0.734 0.749 1.000 0.833 CB 1.397 13 residues pruned to eliminate duplicates Z: 16 16.819 1.951 0.467 0.790 0.933 0.933 CB 1.260 16 residues pruned to eliminate duplicates Z: 12 18.547 1.959 0.641 0.735 1.000 0.818 CB 1.409 12 residues pruned to eliminate duplicates Z: 64 41.726 1.985 0.572 0.721 0.984 0.794 CB 1.401 62 residues pruned to eliminate duplicates Z: 15 26.915 1.986 0.738 0.917 1.000 0.929 CB 1.470 15 residues pruned to eliminate duplicates Z: 17 18.675 1.831 0.678 0.754 0.875 0.875 CB 1.385 17 residues pruned to eliminate duplicates Z: 51 33.275 2.006 0.523 0.705 0.940 0.780 CB 1.360 51 residues pruned to eliminate duplicates Z: 16 21.492 1.927 0.755 0.725 0.933 0.867 CB 1.434 16 residues pruned to eliminate duplicates Z: 46 32.863 1.984 0.524 0.772 0.956 0.778 CB 1.333 46 residues pruned to eliminate duplicates Z: 59 34.203 1.943 0.411 0.704 0.966 0.845 CB 1.409 59 residues pruned to eliminate duplicates Z: 48 34.181 1.943 0.545 0.709 0.957 0.723 CB 1.434 48 residues pruned to eliminate duplicates Z: 61 41.225 1.961 0.653 0.700 0.967 0.783 CB 1.416 61 residues pruned to eliminate duplicates Z: 53 27.753 1.966 0.382 0.644 0.942 0.788 CB 1.314 53 residues pruned to eliminate duplicates Z: 44 31.045 2.012 0.392 0.769 0.977 0.837 CB 1.364 44 residues pruned to eliminate duplicates Z: 60 38.766 1.978 0.627 0.713 0.966 0.729 CB 1.339 60 residues pruned to eliminate duplicates Z: 6 6.656 1.440 0.835 0.459 1.000 0.600 CB 1.174 6 residues pruned to eliminate duplicates Z: 47 36.298 2.024 0.502 0.741 1.000 0.804 CB 1.419 47 residues pruned to eliminate duplicates Z: 44 33.696 2.007 0.526 0.750 0.953 0.814 CB 1.408 44 residues pruned to eliminate duplicates Z: 45 32.537 2.019 0.459 0.712 0.955 0.795 CB 1.439 45 residues pruned to eliminate duplicates Z: 49 33.097 1.974 0.536 0.722 0.979 0.833 CB 1.317 49 residues pruned to eliminate duplicates Z: 52 33.587 1.975 0.541 0.684 0.980 0.804 CB 1.331 52 residues pruned to eliminate duplicates Z: 39 32.236 1.974 0.534 0.769 0.947 0.789 CB 1.436 39 residues pruned to eliminate duplicates Z: 45 34.964 2.001 0.569 0.743 0.977 0.795 CB 1.383 45 residues pruned to eliminate duplicates Z: 57 37.216 1.959 0.671 0.694 0.929 0.696 CB 1.371 57 residues pruned to eliminate duplicates Z: 46 33.802 2.006 0.578 0.688 0.933 0.778 CB 1.435 46 residues pruned to eliminate duplicates Z: 47 33.797 2.017 0.614 0.684 0.935 0.696 CB 1.383 47 residues pruned to eliminate duplicates Z: 47 33.611 1.970 0.642 0.691 0.935 0.717 CB 1.376 47 residues pruned to eliminate duplicates Z: 49 36.773 2.000 0.696 0.710 0.938 0.750 CB 1.380 49 residues pruned to eliminate duplicates Z: 44 40.059 2.016 0.701 0.766 0.977 0.837 CB 1.440 45 residues pruned to eliminate duplicates Z: 25 28.621 2.070 0.478 0.868 0.958 0.750 CB 1.456 25 residues pruned to eliminate duplicates Z: 47 40.126 2.018 0.750 0.737 1.000 0.674 CB 1.354 46 residues pruned to eliminate duplicates Z: 27 35.967 2.079 0.628 0.882 1.000 0.846 CB 1.509 27 residues pruned to eliminate duplicates Z: 26 29.320 2.092 0.527 0.749 0.960 0.720 CB 1.531 26 residues pruned to eliminate duplicates Z: 49 34.939 1.974 0.614 0.699 0.958 0.729 CB 1.377 49 residues pruned to eliminate duplicates Z: 50 39.757 2.000 0.703 0.731 0.980 0.776 CB 1.383 50 residues pruned to eliminate duplicates Z: 56 35.677 1.995 0.544 0.721 0.909 0.782 CB 1.406 56 residues pruned to eliminate duplicates Z: 49 38.511 1.994 0.646 0.746 0.979 0.750 CB 1.388 49 residues pruned to eliminate duplicates Z: 40 29.995 1.975 0.523 0.707 0.923 0.718 CB 1.433 40 residues pruned to eliminate duplicates Z: 53 33.331 1.950 0.641 0.694 0.923 0.692 CB 1.311 53 residues pruned to eliminate duplicates Z: 41 31.241 1.973 0.538 0.704 0.900 0.725 CB 1.502 41 residues pruned to eliminate duplicates Z: 64 43.435 1.973 0.725 0.725 0.968 0.794 CB 1.356 64 residues pruned to eliminate duplicates Z: 32 27.595 2.024 0.552 0.724 0.935 0.710 CB 1.377 32 residues pruned to eliminate duplicates Z: 61 41.134 1.986 0.659 0.729 0.967 0.733 CB 1.357 61 residues pruned to eliminate duplicates Z: 31 32.699 2.063 0.517 0.769 0.967 0.867 CB 1.555 31 residues pruned to eliminate duplicates Z: 17 12.989 1.811 0.635 0.643 0.875 0.562 CB 1.097 17 residues pruned to eliminate duplicates Z: 21 15.639 1.816 0.603 0.583 0.950 0.600 CB 1.168 21 residues pruned to eliminate duplicates Z: 64 42.321 1.970 0.600 0.726 0.984 0.825 CB 1.402 64 residues pruned to eliminate duplicates Z: 20 15.229 1.829 0.448 0.579 0.947 0.579 CB 1.290 20 residues pruned to eliminate duplicates Z: 18 15.526 1.844 0.550 0.645 0.882 0.706 CB 1.305 18 residues pruned to eliminate duplicates Z: 61 43.102 1.991 0.640 0.701 0.983 0.767 CB 1.443 61 residues pruned to eliminate duplicates Z: 18 13.541 1.826 0.483 0.615 0.882 0.647 CB 1.232 18 residues pruned to eliminate duplicates Z: 15 19.247 1.916 0.537 0.689 1.000 0.857 CB 1.470 15 residues pruned to eliminate duplicates Z: 65 42.041 1.954 0.676 0.713 0.984 0.688 CB 1.344 65 residues pruned to eliminate duplicates Z: 20 15.907 1.851 0.616 0.590 0.895 0.737 CB 1.251 20 residues pruned to eliminate duplicates Z: 65 40.726 1.970 0.638 0.717 0.969 0.750 CB 1.339 65 residues pruned to eliminate duplicates Z: 63 41.328 1.986 0.585 0.709 0.984 0.742 CB 1.402 63 residues pruned to eliminate duplicates Z: 51 32.283 1.958 0.490 0.674 1.000 0.760 CB 1.333 51 residues pruned to eliminate duplicates Z: 8 6.695 1.663 0.857 0.338 0.857 0.286 CB 1.140 8 residues pruned to eliminate duplicates Z: 16 23.149 1.832 0.830 0.809 1.000 0.800 CA 1.362 17 residues pruned to eliminate duplicates Z: 8 13.291 1.718 0.863 0.672 1.000 0.286 CA 1.340 8 residues pruned to eliminate duplicates Z: 8 6.997 1.551 0.847 0.507 0.714 0.571 CB 1.283 8 residues pruned to eliminate duplicates Z: 12 14.078 1.960 0.259 0.871 0.909 0.818 CB 1.380 12 residues pruned to eliminate duplicates Z: 14 14.632 1.887 0.246 0.835 0.923 0.846 CB 1.401 14 residues pruned to eliminate duplicates Z: 10 8.169 1.904 0.205 0.622 0.778 0.444 CB 1.360 10 residues pruned to eliminate duplicates Z: 51 21.163 1.892 0.401 0.536 0.880 0.620 CB 1.239 51 residues pruned to eliminate duplicates Z: 14 13.745 1.903 0.209 0.822 0.923 0.692 CB 1.358 14 residues pruned to eliminate duplicates Z: 16 10.645 1.779 0.425 0.690 0.800 0.600 CB 1.138 16 residues pruned to eliminate duplicates Z: 16 10.001 1.849 0.331 0.607 0.800 0.467 CB 1.185 16 residues pruned to eliminate duplicates Z: 55 24.492 1.922 0.590 0.483 0.907 0.500 CB 1.223 55 residues pruned to eliminate duplicates Z: 56 24.384 1.940 0.485 0.462 0.964 0.582 CB 1.231 56 residues pruned to eliminate duplicates Z: 42 19.925 1.900 0.535 0.416 0.927 0.488 CB 1.257 42 residues pruned to eliminate duplicates Z: 52 22.373 1.938 0.476 0.493 0.902 0.549 CB 1.223 52 residues pruned to eliminate duplicates Z: 49 23.027 1.942 0.463 0.534 0.958 0.625 CB 1.181 49 residues pruned to eliminate duplicates Z: 56 25.124 1.934 0.478 0.522 0.945 0.564 CB 1.227 56 residues pruned to eliminate duplicates Z: 58 25.115 1.929 0.533 0.537 0.895 0.596 CB 1.213 73 residues pruned to eliminate duplicates Z: 6 2.127 1.319 0.324 0.366 0.600 0.200 O 1.048 6 residues pruned to eliminate duplicates Z: 52 26.417 1.921 0.523 0.515 0.941 0.608 CB 1.324 52 residues pruned to eliminate duplicates Z: 37 23.423 1.962 0.702 0.466 0.917 0.528 CB 1.320 37 residues pruned to eliminate duplicates Z: 51 27.425 1.959 0.661 0.497 0.940 0.640 CB 1.273 51 residues pruned to eliminate duplicates Z: 53 24.099 1.953 0.474 0.508 0.885 0.519 CB 1.302 53 residues pruned to eliminate duplicates Z: 56 25.090 1.932 0.536 0.498 0.909 0.527 CB 1.256 56 residues pruned to eliminate duplicates Z: 49 25.456 1.942 0.622 0.493 0.917 0.625 CB 1.282 49 residues pruned to eliminate duplicates Z: 38 21.915 1.970 0.497 0.468 0.946 0.595 CB 1.335 38 residues pruned to eliminate duplicates Z: 39 21.736 1.943 0.537 0.462 0.921 0.632 CB 1.333 39 residues pruned to eliminate duplicates Z: 54 25.837 1.936 0.619 0.499 0.906 0.585 CB 1.251 54 residues pruned to eliminate duplicates Z: 38 19.486 1.950 0.552 0.427 0.865 0.622 CB 1.321 38 residues pruned to eliminate duplicates Z: 38 22.330 1.965 0.575 0.442 0.892 0.649 CB 1.412 38 residues pruned to eliminate duplicates Z: 48 26.698 1.960 0.578 0.509 0.936 0.660 CB 1.333 48 residues pruned to eliminate duplicates Z: 39 23.208 1.971 0.583 0.453 0.921 0.632 CB 1.375 39 residues pruned to eliminate duplicates Z: 49 25.533 1.972 0.472 0.527 0.938 0.604 CB 1.319 49 residues pruned to eliminate duplicates Z: 41 21.447 1.912 0.470 0.436 0.975 0.575 CB 1.323 41 residues pruned to eliminate duplicates Z: 53 21.726 1.882 0.462 0.516 0.846 0.596 CB 1.273 53 residues pruned to eliminate duplicates Z: 60 26.365 1.923 0.522 0.524 0.932 0.610 CB 1.228 60 residues pruned to eliminate duplicates Z: 36 26.719 1.993 0.675 0.493 0.971 0.600 CB 1.402 36 residues pruned to eliminate duplicates Z: 51 24.416 1.928 0.508 0.511 0.940 0.540 CB 1.249 51 residues pruned to eliminate duplicates Z: 40 21.713 1.935 0.639 0.399 0.949 0.513 CB 1.286 40 residues pruned to eliminate duplicates Z: 41 20.276 1.927 0.530 0.447 0.925 0.500 CB 1.242 41 residues pruned to eliminate duplicates Z: 48 25.816 1.943 0.671 0.496 0.957 0.532 CB 1.217 48 residues pruned to eliminate duplicates Z: 40 20.832 1.943 0.596 0.440 0.897 0.615 CB 1.275 40 residues pruned to eliminate duplicates Z: 44 15.857 1.825 0.552 0.373 0.814 0.465 CB 1.202 44 residues pruned to eliminate duplicates Z: 37 26.924 1.992 0.719 0.484 0.944 0.528 CB 1.409 37 residues pruned to eliminate duplicates Z: 43 20.236 1.915 0.560 0.422 0.905 0.524 CB 1.253 43 residues pruned to eliminate duplicates Z: 56 23.475 1.935 0.474 0.495 0.891 0.491 CB 1.251 56 residues pruned to eliminate duplicates Z: 38 22.027 1.969 0.586 0.465 0.919 0.568 CB 1.308 38 residues pruned to eliminate duplicates Z: 9 4.055 1.885 0.241 0.262 0.750 0.125 CB 1.073 Z: 17 27.183 1.862 0.654 0.893 1.000 0.875 CB 1.584 17 residues pruned to eliminate duplicates Z: 15 22.726 2.010 0.602 0.824 1.000 0.571 CB 1.424 15 residues pruned to eliminate duplicates Z: 23 15.965 1.905 0.537 0.575 0.864 0.591 CB 1.252 23 residues pruned to eliminate duplicates Z: 22 18.650 1.928 0.613 0.634 0.952 0.762 CB 1.212 22 residues pruned to eliminate duplicates Z: 17 21.380 1.902 0.587 0.785 1.000 0.812 CB 1.377 17 residues pruned to eliminate duplicates Z: 21 20.890 1.911 0.626 0.643 0.950 0.450 CB 1.384 21 residues pruned to eliminate duplicates Z: 19 21.244 1.993 0.623 0.710 0.944 0.778 CB 1.355 19 residues pruned to eliminate duplicates Z: 22 20.030 1.896 0.747 0.621 0.952 0.667 CB 1.235 22 residues pruned to eliminate duplicates Z: 20 27.490 2.038 0.947 0.681 0.947 0.526 CB 1.421 20 residues pruned to eliminate duplicates Z: 22 19.991 1.974 0.656 0.631 0.905 0.381 CB 1.304 22 residues pruned to eliminate duplicates Z: 20 25.920 2.024 0.870 0.678 0.947 0.632 CB 1.408 20 residues pruned to eliminate duplicates Z: 21 24.313 1.931 0.902 0.641 0.950 0.550 CB 1.366 21 residues pruned to eliminate duplicates Z: 19 24.483 2.029 0.890 0.709 0.889 0.611 CB 1.400 19 residues pruned to eliminate duplicates Z: 24 20.741 1.928 0.779 0.608 0.870 0.565 CB 1.309 24 residues pruned to eliminate duplicates Z: 27 18.626 1.915 0.638 0.543 0.885 0.385 CB 1.261 27 residues pruned to eliminate duplicates Z: 20 27.422 2.032 0.944 0.673 1.000 0.632 CB 1.357 20 residues pruned to eliminate duplicates Z: 34 26.712 1.985 0.558 0.655 0.970 0.636 CB 1.343 30 residues pruned to eliminate duplicates Z: 23 20.969 1.886 0.575 0.835 0.955 0.727 CB 1.182 23 residues pruned to eliminate duplicates Z: 18 21.187 1.981 0.439 0.831 0.941 0.765 CB 1.440 18 residues pruned to eliminate duplicates Z: 26 23.879 1.920 0.476 0.755 0.920 0.800 CB 1.460 26 residues pruned to eliminate duplicates Z: 39 23.447 1.855 0.507 0.629 0.895 0.500 CB 1.347 39 residues pruned to eliminate duplicates Z: 16 22.756 2.063 0.521 0.867 0.933 0.733 CB 1.468 16 residues pruned to eliminate duplicates Z: 10 23.411 2.192 0.693 0.895 1.000 0.667 CB 1.507 10 residues pruned to eliminate duplicates Z: 21 18.419 1.873 0.496 0.722 0.850 0.600 CB 1.414 21 residues pruned to eliminate duplicates Z: 23 23.828 1.956 0.603 0.771 0.909 0.773 CB 1.402 23 residues pruned to eliminate duplicates Z: 16 18.419 1.913 0.710 0.683 1.000 0.467 CB 1.229 16 residues pruned to eliminate duplicates Z: 18 24.294 1.959 0.677 0.776 0.941 0.706 CB 1.493 18 residues pruned to eliminate duplicates Z: 19 27.005 1.996 0.758 0.849 0.944 0.833 CB 1.424 19 residues pruned to eliminate duplicates Z: 38 35.169 2.014 0.788 0.748 0.973 0.730 CB 1.322 38 residues pruned to eliminate duplicates Z: 18 24.517 1.921 0.785 0.829 0.941 0.824 CB 1.387 18 residues pruned to eliminate duplicates Z: 16 30.334 2.034 0.816 0.902 1.000 0.733 CB 1.512 16 residues pruned to eliminate duplicates Z: 33 23.773 1.876 0.684 0.637 0.812 0.688 CB 1.440 45 residues pruned to eliminate duplicates Z: 16 24.989 2.025 0.825 0.860 0.867 0.467 CB 1.482 16 residues pruned to eliminate duplicates Z: 21 20.206 1.925 0.585 0.695 0.850 0.700 CB 1.458 21 residues pruned to eliminate duplicates Z: 29 24.313 1.895 0.601 0.687 0.857 0.679 CB 1.488 29 residues pruned to eliminate duplicates Z: 24 28.924 1.956 0.756 0.758 0.957 0.696 CB 1.459 24 residues pruned to eliminate duplicates Z: 33 27.913 1.883 0.736 0.768 0.875 0.594 CB 1.360 33 residues pruned to eliminate duplicates Z: 58 32.213 1.869 0.756 0.594 0.912 0.509 CB 1.304 58 residues pruned to eliminate duplicates Z: 29 22.073 1.881 0.669 0.646 0.821 0.607 CB 1.411 29 residues pruned to eliminate duplicates Z: 14 8.465 1.711 0.524 0.492 0.769 0.615 N 1.180 14 residues pruned to eliminate duplicates Z: 26 26.784 1.895 0.660 0.710 0.920 0.600 CB 1.530 26 residues pruned to eliminate duplicates Z: 15 13.048 1.774 0.609 0.515 0.929 0.571 N 1.297 15 residues pruned to eliminate duplicates Z: 16 12.384 1.715 0.675 0.472 0.867 0.533 N 1.322 16 residues pruned to eliminate duplicates Z: 13 23.518 1.910 0.749 0.784 1.000 0.750 CA 1.584 14 residues pruned to eliminate duplicates Z: 13 17.878 1.820 0.813 0.858 0.833 0.667 CB 1.382 13 residues pruned to eliminate duplicates Z: 18 13.154 1.671 0.632 0.598 0.941 0.471 CB 1.132 18 residues pruned to eliminate duplicates Z: 12 12.933 1.868 0.619 0.728 0.909 0.636 CB 1.155 12 residues pruned to eliminate duplicates Z: 17 16.059 1.814 0.636 0.596 0.875 0.625 CB 1.411 15 residues pruned to eliminate duplicates Z: 13 22.472 1.784 0.993 0.867 1.000 0.583 CB 1.335 13 residues pruned to eliminate duplicates Z: 13 22.789 1.829 0.854 0.904 1.000 0.750 CA 1.382 13 residues pruned to eliminate duplicates Z: 17 15.401 1.810 0.740 0.579 0.812 0.625 CB 1.395 17 residues pruned to eliminate duplicates Z: 31 19.182 1.863 0.701 0.576 0.767 0.633 CB 1.340 31 residues pruned to eliminate duplicates Z: 8 8.312 1.604 0.555 0.675 1.000 0.714 CB 1.072 8 residues pruned to eliminate duplicates Z: 15 10.353 1.712 0.467 0.764 0.929 0.857 CB 0.939 15 residues pruned to eliminate duplicates Z: 7 7.652 1.615 0.823 0.681 0.833 0.667 CB 1.078 7 residues pruned to eliminate duplicates Z: 13 12.035 1.742 0.622 0.778 0.917 0.833 CB 1.050 13 residues pruned to eliminate duplicates Z: 13 14.593 1.744 0.458 0.903 1.000 0.917 CB 1.180 13 residues pruned to eliminate duplicates Z: 14 10.921 1.747 0.508 0.837 0.923 0.769 CB 0.931 14 residues pruned to eliminate duplicates Z: 15 14.694 1.718 0.526 0.886 0.929 0.857 CB 1.163 15 residues pruned to eliminate duplicates Z: 14 15.230 1.732 0.532 0.863 1.000 0.923 CB 1.168 14 residues pruned to eliminate duplicates Z: 15 15.476 1.743 0.454 0.902 1.000 0.857 CB 1.163 15 residues pruned to eliminate duplicates Z: 15 14.185 1.758 0.584 0.862 0.929 0.857 CB 1.076 15 residues pruned to eliminate duplicates Z: 15 11.612 1.728 0.469 0.836 0.929 0.857 CB 0.985 15 residues pruned to eliminate duplicates Z: 16 12.022 1.711 0.461 0.815 0.933 0.667 CB 1.013 16 residues pruned to eliminate duplicates Z: 15 12.558 1.693 0.506 0.833 0.929 0.714 CB 1.063 15 residues pruned to eliminate duplicates Z: 16 15.483 1.745 0.587 0.841 0.933 0.867 CB 1.154 16 residues pruned to eliminate duplicates Z: 11 9.966 1.805 0.291 0.717 0.900 0.700 CB 1.234 11 residues pruned to eliminate duplicates Z: 14 8.472 1.754 0.292 0.471 0.846 0.615 CB 1.262 11 residues pruned to eliminate duplicates Z: 10 11.449 1.768 0.633 0.817 0.889 0.778 CB 1.129 10 residues pruned to eliminate duplicates Z: 10 12.915 1.817 0.630 0.824 1.000 0.667 CB 1.098 14 residues pruned to eliminate duplicates Z: 10 15.598 1.762 0.800 0.816 1.000 0.667 CB 1.245 10 residues pruned to eliminate duplicates Z: 10 12.787 1.802 0.706 0.845 0.889 0.889 CB 1.159 10 residues pruned to eliminate duplicates Z: 13 9.484 1.726 0.593 0.585 0.833 0.667 CB 1.101 13 residues pruned to eliminate duplicates Z: 12 13.973 1.789 0.721 0.710 0.909 0.727 CB 1.244 10 residues pruned to eliminate duplicates Z: 6 6.891 1.611 0.417 0.493 1.000 1.000 CB 1.360 6 residues pruned to eliminate duplicates Z: 25 18.475 1.914 0.655 0.615 0.792 0.667 CB 1.349 25 residues pruned to eliminate duplicates Z: 21 24.707 2.018 0.690 0.762 0.900 0.800 CB 1.426 21 residues pruned to eliminate duplicates Z: 24 23.995 1.980 0.657 0.668 0.957 0.696 CB 1.365 24 residues pruned to eliminate duplicates Z: 25 17.661 1.881 0.808 0.539 0.833 0.625 CB 1.224 25 residues pruned to eliminate duplicates Z: 20 15.831 1.794 0.510 0.837 0.947 0.737 CB 1.059 20 residues pruned to eliminate duplicates Z: 25 20.080 1.862 0.676 0.626 0.917 0.708 CB 1.272 12 residues pruned to eliminate duplicates Z: 22 17.488 1.691 0.552 0.787 1.000 0.571 CB 1.130 22 residues pruned to eliminate duplicates Z: 24 17.835 1.929 0.513 0.514 0.826 0.522 CB 1.521 24 residues pruned to eliminate duplicates Z: 24 19.393 1.918 0.551 0.665 0.913 0.565 CB 1.278 24 residues pruned to eliminate duplicates Z: 24 19.751 1.916 0.600 0.667 0.870 0.696 CB 1.324 24 residues pruned to eliminate duplicates Z: 14 18.668 1.968 0.664 0.780 0.923 0.769 CB 1.338 14 residues pruned to eliminate duplicates Z: 60 23.840 1.885 0.541 0.475 0.864 0.475 CB 1.268 60 residues pruned to eliminate duplicates Z: 42 26.181 1.863 0.692 0.639 0.902 0.659 CB 1.262 42 residues pruned to eliminate duplicates Z: 23 21.429 1.897 0.728 0.674 0.909 0.727 CB 1.306 24 residues pruned to eliminate duplicates Z: 19 15.174 1.849 0.442 0.860 0.889 0.722 CB 1.109 19 residues pruned to eliminate duplicates Z: 53 26.117 1.905 0.713 0.555 0.808 0.577 CB 1.302 53 residues pruned to eliminate duplicates Z: 24 20.721 1.947 0.607 0.663 0.913 0.609 CB 1.301 24 residues pruned to eliminate duplicates Z: 26 18.909 1.925 0.566 0.634 0.840 0.600 CB 1.317 26 residues pruned to eliminate duplicates Z: 59 28.414 1.939 0.540 0.508 0.914 0.552 CB 1.357 59 residues pruned to eliminate duplicates Z: 34 16.529 1.827 0.631 0.540 0.879 0.636 CB 1.057 34 residues pruned to eliminate duplicates Z: 59 27.131 1.922 0.611 0.537 0.879 0.534 CB 1.262 59 residues pruned to eliminate duplicates Z: 59 27.018 1.902 0.552 0.536 0.897 0.603 CB 1.293 59 residues pruned to eliminate duplicates Z: 8 10.441 1.861 0.603 0.583 1.000 0.714 CB 1.222 8 residues pruned to eliminate duplicates Z: 44 22.934 1.908 0.569 0.552 0.930 0.558 CB 1.193 44 residues pruned to eliminate duplicates Z: 21 11.078 1.780 0.712 0.521 0.850 0.550 CB 0.936 21 residues pruned to eliminate duplicates Z: 54 25.337 1.938 0.580 0.525 0.868 0.604 CB 1.278 54 residues pruned to eliminate duplicates Z: 36 19.740 1.898 0.660 0.425 0.886 0.571 CB 1.293 36 residues pruned to eliminate duplicates Z: 71 34.181 1.907 0.697 0.584 0.914 0.600 CB 1.274 93 residues pruned to eliminate duplicates Z: 41 20.461 1.874 0.701 0.446 0.825 0.425 CB 1.300 41 residues pruned to eliminate duplicates Z: 29 17.652 1.934 0.480 0.435 0.893 0.464 CB 1.396 29 residues pruned to eliminate duplicates Z: 28 20.604 1.909 0.553 0.447 0.963 0.630 CB 1.466 28 residues pruned to eliminate duplicates Z: 11 14.849 1.882 0.318 0.655 1.000 0.700 CA 1.639 11 residues pruned to eliminate duplicates Z: 30 22.132 1.915 0.601 0.485 0.966 0.621 CB 1.410 30 residues pruned to eliminate duplicates Z: 29 19.793 1.881 0.598 0.439 0.893 0.536 CB 1.485 29 residues pruned to eliminate duplicates Z: 29 16.201 1.931 0.532 0.445 0.821 0.500 CB 1.334 29 residues pruned to eliminate duplicates Z: 58 29.257 1.930 0.616 0.518 0.912 0.579 CB 1.338 58 residues pruned to eliminate duplicates Z: 30 17.830 1.993 0.495 0.439 0.828 0.621 CB 1.429 30 residues pruned to eliminate duplicates Z: 21 16.700 1.904 0.395 0.513 0.900 0.400 CB 1.543 21 residues pruned to eliminate duplicates Z: 29 22.345 1.980 0.758 0.484 0.893 0.643 CB 1.381 29 residues pruned to eliminate duplicates Z: 28 23.141 1.970 0.696 0.527 0.926 0.556 CB 1.401 28 residues pruned to eliminate duplicates Z: 31 20.063 1.903 0.658 0.478 0.933 0.633 CB 1.272 31 residues pruned to eliminate duplicates Z: 60 26.720 1.872 0.666 0.493 0.915 0.559 CB 1.227 61 residues pruned to eliminate duplicates Z: 10 11.864 1.724 0.792 0.648 0.889 0.444 CB 1.254 10 residues pruned to eliminate duplicates Z: 10 8.178 1.718 0.536 0.400 1.000 0.667 CB 1.147 10 residues pruned to eliminate duplicates Z: 6 3.701 1.459 0.469 0.342 0.800 0.800 N 1.147 6 residues pruned to eliminate duplicates Z: 14 8.953 1.715 0.403 0.426 0.846 0.538 CB 1.317 10 residues pruned to eliminate duplicates 440 residues left after pruning, divided into chains as follows: A: 7 B: 9 C: 9 D: 7 E: 37 F: 9 G: 36 H: 20 I: 9 J: 63 K: 50 L: 57 M: 15 N: 12 O: 59 P: 6 Q: 13 R: 22 CC for partial structure against native data = 42.36 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 4 used as input for final density modification = 0.299, Contrast = 0.511, Connect. = 0.720 for dens.mod. cycle 1 = 0.300, Contrast = 0.586, Connect. = 0.745 for dens.mod. cycle 2 = 0.300, Contrast = 0.691, Connect. = 0.771 for dens.mod. cycle 3 = 0.300, Contrast = 0.700, Connect. = 0.772 for dens.mod. cycle 4 = 0.300, Contrast = 0.709, Connect. = 0.773 for dens.mod. cycle 5 = 0.300, Contrast = 0.710, Connect. = 0.775 for dens.mod. cycle 6 = 0.300, Contrast = 0.713, Connect. = 0.775 for dens.mod. cycle 7 = 0.300, Contrast = 0.712, Connect. = 0.776 for dens.mod. cycle 8 TimeTaking 67.95