null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 00:13:29 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: ./1vl4-2.3-parrot-noncs/1vl4-2.3-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./1vl4-2.3-parrot-noncs/1vl4-2.3-parrot-noncs.ins Phases from ./1vl4-2.3-parrot-noncs/1vl4-2.3-parrot-noncs.phi Native data from ./1vl4-2.3-parrot-noncs/1vl4-2.3-parrot-noncs.hkl Listing output to ./1vl4-2.3-parrot-noncs/1vl4-2.3-parrot-noncs.lst Phases output to ./1vl4-2.3-parrot-noncs/1vl4-2.3-parrot-noncs.phs Poly-Ala trace output to ./1vl4-2.3-parrot-noncs/1vl4-2.3-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 44794 Reflections read from file ./1vl4-2.3-parrot-noncs/1vl4-2.3-parrot-noncs.phi 44794 Reflections read from file ./1vl4-2.3-parrot-noncs/1vl4-2.3-parrot-noncs.hkl 44794 Unique data, highest resolution = 2.320 Angstroms Anisotropic scaling: intensities multiplied by 0.000146h^2 +0.000070k^2 -0.000096l^2 +0.000000kl +0.000000hl +0.000000hk 128 Reflections with d > 2.520 and 0 in range 2.520 > d > 2.320 added Density sharpening factor set to 0.27 Fourier grid = 128 x 256 x 39 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|> = 0.650 ** -f missing ?? ** = 0.300, Contrast = 0.477, Connect. = 0.738 for dens.mod. cycle 1 = 0.300, Contrast = 0.541, Connect. = 0.742 for dens.mod. cycle 2 = 0.300, Contrast = 0.618, Connect. = 0.760 for dens.mod. cycle 3 = 0.300, Contrast = 0.632, Connect. = 0.765 for dens.mod. cycle 4 = 0.300, Contrast = 0.641, Connect. = 0.768 for dens.mod. cycle 5 = 0.300, Contrast = 0.648, Connect. = 0.770 for dens.mod. cycle 6 = 0.300, Contrast = 0.653, Connect. = 0.771 for dens.mod. cycle 7 = 0.300, Contrast = 0.658, Connect. = 0.773 for dens.mod. cycle 8 = 0.300, Contrast = 0.661, Connect. = 0.774 for dens.mod. cycle 9 = 0.300, Contrast = 0.664, Connect. = 0.774 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3168 peaks > 0.5 sigma used to seed fragment search Space for about 1132 unique residues taking solvent into account 806 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 25 13.816 1.850 0.788 0.357 0.875 0.500 CB 1.137 B: 12 10.546 1.846 0.277 0.493 1.000 0.727 CB 1.358 C: 18 20.170 1.752 0.831 0.694 1.000 0.647 CB 1.277 D: 22 9.920 1.730 0.377 0.454 0.905 0.476 CB 1.053 E: 16 23.820 1.739 0.872 0.924 1.000 0.733 CB 1.327 F: 44 24.222 1.819 0.717 0.542 0.930 0.581 CB 1.220 G: 12 18.550 1.826 0.800 0.609 1.000 0.636 CB 1.536 H: 10 8.597 1.652 0.793 0.406 0.889 0.667 N 1.201 I: 21 20.105 1.720 0.732 0.808 1.000 0.750 CB 1.154 21 residues pruned to eliminate duplicates J: 21 13.755 1.759 0.476 0.545 0.850 0.600 CB 1.333 22 residues pruned to eliminate duplicates K: 13 9.938 1.639 0.656 0.485 0.833 0.500 CB 1.288 L: 16 10.473 1.779 0.609 0.490 0.933 0.667 CB 1.023 10 residues pruned to eliminate duplicates M: 18 14.137 1.758 0.747 0.791 0.882 0.647 CB 0.980 18 residues pruned to eliminate duplicates N: 13 6.513 1.730 0.634 0.459 0.833 0.667 CB 0.832 16 residues pruned to eliminate duplicates O: 10 4.116 1.782 0.567 0.256 0.889 0.556 CB 0.731 P: 19 20.810 1.894 0.544 0.660 0.944 0.722 CA 1.531 12 residues pruned to eliminate duplicates Q: 20 10.723 1.755 0.386 0.430 0.789 0.474 CB 1.378 R: 14 18.608 1.725 0.605 0.914 1.000 0.692 CB 1.319 S: 16 13.746 1.785 0.575 0.844 1.000 0.667 CB 0.939 T: 17 10.961 1.701 0.253 0.903 0.938 0.750 CB 0.978 U: 25 19.665 2.008 0.757 0.341 1.000 0.625 CB 1.353 25 residues pruned to eliminate duplicates V: 17 13.447 1.760 0.512 0.868 0.938 0.875 CB 0.985 17 residues pruned to eliminate duplicates W: 10 9.586 1.608 0.345 0.833 0.889 0.778 CA 1.246 X: 8 11.918 1.875 1.071 0.642 0.857 0.714 CB 1.186 Y: 13 13.478 1.762 0.704 0.548 0.917 0.583 N 1.350 13 residues pruned to eliminate duplicates Z: 11 16.134 1.854 0.652 0.871 1.000 0.800 CB 1.215 Z: 9 9.799 1.833 0.421 0.602 0.875 0.375 CB 1.379 Z: 29 17.095 1.885 0.817 0.359 0.857 0.643 CB 1.281 8 residues pruned to eliminate duplicates Z: 17 16.530 1.757 0.560 0.883 0.875 0.750 CB 1.246 Z: 7 7.025 1.808 0.419 0.469 0.833 0.500 CB 1.385 Z: 19 6.904 1.680 0.816 0.300 0.833 0.278 CB 0.800 10 residues pruned to eliminate duplicates Z: 27 10.411 1.744 0.549 0.278 0.808 0.423 CB 1.202 12 residues pruned to eliminate duplicates Z: 9 10.160 1.823 0.423 0.595 0.875 0.500 N 1.444 Z: 6 6.360 1.605 1.144 0.443 0.800 0.600 N 1.096 Z: 13 21.557 1.841 1.026 0.757 0.917 0.833 CB 1.448 14 residues pruned to eliminate duplicates Z: 16 16.557 1.744 0.844 0.920 0.933 0.667 CB 1.003 11 residues pruned to eliminate duplicates Z: 6 7.119 1.779 0.207 0.709 0.800 0.800 O 1.533 Z: 31 18.895 1.783 0.494 0.568 1.000 0.667 CB 1.213 31 residues pruned to eliminate duplicates Z: 10 13.375 1.674 0.421 0.906 1.000 0.778 CB 1.333 10 residues pruned to eliminate duplicates Z: 9 10.667 1.672 0.767 0.891 1.000 0.750 CB 0.918 4 residues pruned to eliminate duplicates Z: 19 8.819 1.687 0.557 0.291 0.833 0.611 CB 1.201 9 residues pruned to eliminate duplicates Z: 6 8.099 1.863 0.028 0.817 1.000 0.800 CB 1.436 6 residues pruned to eliminate duplicates Z: 16 20.971 1.854 0.455 0.890 1.000 0.933 CB 1.445 Z: 14 19.306 1.826 0.841 0.911 1.000 0.846 CB 1.129 15 residues pruned to eliminate duplicates Z: 7 7.227 1.747 0.593 0.301 0.833 0.500 N 1.588 Z: 30 25.396 1.797 0.875 0.740 0.966 0.690 CB 1.168 29 residues pruned to eliminate duplicates Z: 13 8.079 1.752 0.420 0.590 1.000 0.583 CB 0.860 Z: 12 17.899 1.710 0.705 0.784 1.000 0.818 O 1.442 Z: 11 8.573 1.705 0.184 0.550 1.000 0.400 CB 1.279 11 residues pruned to eliminate duplicates Z: 17 23.656 1.689 0.879 0.905 1.000 0.938 CB 1.327 17 residues pruned to eliminate duplicates Z: 10 4.780 1.585 0.425 0.357 0.667 0.667 CB 1.235 Z: 23 17.712 1.916 0.782 0.427 0.864 0.727 CB 1.382 30 residues pruned to eliminate duplicates Z: 17 18.578 1.686 0.911 0.615 1.000 0.688 CB 1.292 Z: 8 9.953 1.649 0.530 0.765 1.000 0.714 CB 1.178 Z: 29 18.093 1.877 0.630 0.323 0.929 0.607 CB 1.463 29 residues pruned to eliminate duplicates Z: 7 6.620 1.686 0.832 0.467 0.833 0.667 CB 1.086 Z: 10 6.374 1.692 0.192 0.355 0.889 0.444 CB 1.387 10 residues pruned to eliminate duplicates Z: 9 7.408 1.756 0.375 0.663 0.875 0.500 CB 1.066 9 residues pruned to eliminate duplicates Z: 7 4.850 1.469 0.382 0.683 0.833 0.500 CB 0.989 7 residues pruned to eliminate duplicates Z: 8 5.893 1.589 0.617 0.385 0.857 0.429 CA 1.143 8 residues pruned to eliminate duplicates Z: 17 14.385 1.730 0.990 0.835 1.000 0.562 CB 0.782 16 residues pruned to eliminate duplicates Z: 17 22.946 1.658 0.825 0.926 1.000 0.812 CB 1.330 17 residues pruned to eliminate duplicates Z: 16 15.381 1.767 0.861 0.859 1.000 0.733 CB 0.889 17 residues pruned to eliminate duplicates Z: 11 12.402 1.706 0.721 0.693 0.800 0.600 O 1.400 11 residues pruned to eliminate duplicates Z: 16 19.633 1.787 0.543 0.865 0.933 0.733 CB 1.444 16 residues pruned to eliminate duplicates Z: 19 21.060 1.834 0.955 0.868 0.944 0.500 CB 1.072 19 residues pruned to eliminate duplicates Z: 18 16.504 1.713 0.480 0.882 1.000 0.941 CB 1.142 18 residues pruned to eliminate duplicates Z: 9 9.213 1.435 0.797 0.756 1.000 0.875 CB 1.006 Z: 6 4.840 1.742 0.532 0.272 0.800 0.600 CB 1.314 Z: 32 17.063 1.721 0.691 0.585 0.839 0.677 CB 1.158 32 residues pruned to eliminate duplicates Z: 7 7.573 1.627 0.660 0.480 1.000 0.667 CB 1.168 Z: 7 7.147 1.639 0.723 0.450 1.000 0.667 CB 1.088 Z: 20 15.868 1.755 0.617 0.764 0.947 0.789 CB 1.071 20 residues pruned to eliminate duplicates Z: 12 16.075 1.705 1.127 0.687 0.909 0.636 CB 1.239 12 residues pruned to eliminate duplicates Z: 11 18.624 1.871 0.868 0.569 1.000 0.600 CB 1.576 11 residues pruned to eliminate duplicates Z: 10 5.823 1.633 0.809 0.387 0.667 0.333 CA 1.112 10 residues pruned to eliminate duplicates Z: 6 7.584 1.723 0.619 0.750 0.800 0.600 CB 1.216 6 residues pruned to eliminate duplicates Z: 11 5.368 1.663 0.631 0.537 0.900 0.900 CB 0.671 8 residues pruned to eliminate duplicates Z: 17 16.146 1.733 0.467 0.832 0.938 0.500 CB 1.271 15 residues pruned to eliminate duplicates Z: 20 18.624 1.785 0.665 0.842 1.000 0.579 CB 1.071 20 residues pruned to eliminate duplicates Z: 13 12.995 1.873 0.768 0.533 0.750 0.583 CB 1.463 13 residues pruned to eliminate duplicates Z: 14 11.040 1.682 0.571 0.852 0.769 0.615 CB 1.115 14 residues pruned to eliminate duplicates Z: 20 15.006 1.675 0.658 0.476 1.000 0.579 CB 1.271 13 residues pruned to eliminate duplicates Z: 17 24.324 1.725 0.878 0.913 1.000 0.750 CB 1.329 17 residues pruned to eliminate duplicates Z: 16 16.895 1.754 0.817 0.823 0.867 0.667 CA 1.194 16 residues pruned to eliminate duplicates Z: 21 22.188 1.760 0.803 0.823 1.000 0.700 CB 1.182 21 residues pruned to eliminate duplicates Z: 6 3.771 1.701 -0.098 0.799 1.000 0.800 CB 0.847 Z: 10 14.097 1.671 0.545 0.861 1.000 0.778 CB 1.338 Z: 12 12.868 1.698 0.774 0.571 0.909 0.545 N 1.323 12 residues pruned to eliminate duplicates Z: 6 7.117 1.423 1.434 0.485 0.800 0.600 CA 1.166 6 residues pruned to eliminate duplicates Z: 7 7.048 1.792 0.659 0.508 0.833 0.500 CB 1.152 7 residues pruned to eliminate duplicates Z: 16 22.663 1.727 0.694 0.910 1.000 0.933 CB 1.419 16 residues pruned to eliminate duplicates Z: 59 32.445 1.824 0.690 0.580 0.948 0.569 CB 1.349 57 residues pruned to eliminate duplicates Z: 16 17.208 1.692 0.607 0.933 1.000 0.933 CB 1.141 16 residues pruned to eliminate duplicates Z: 18 13.174 1.614 0.425 0.863 0.941 0.824 CB 1.082 16 residues pruned to eliminate duplicates Z: 14 14.672 1.794 0.802 0.816 0.769 0.692 CB 1.244 14 residues pruned to eliminate duplicates Z: 17 21.147 1.690 0.636 0.900 1.000 0.812 CB 1.366 17 residues pruned to eliminate duplicates Z: 15 14.093 1.722 0.360 0.726 0.929 0.929 CB 1.413 Z: 14 11.054 1.451 0.606 0.817 1.000 0.615 CB 0.999 14 residues pruned to eliminate duplicates Z: 8 5.040 1.656 0.123 0.531 0.857 0.571 CB 1.160 Z: 8 4.537 1.437 0.668 0.291 0.857 0.571 CB 1.056 Z: 6 4.150 1.873 0.333 0.361 0.600 0.600 N 1.439 6 residues pruned to eliminate duplicates Z: 15 15.906 1.733 0.426 0.751 1.000 0.786 CB 1.375 15 residues pruned to eliminate duplicates Z: 7 3.407 1.451 0.502 0.572 0.667 0.667 CB 0.893 Z: 9 11.877 1.856 0.330 0.606 1.000 0.750 CA 1.538 9 residues pruned to eliminate duplicates Z: 11 5.339 1.629 0.391 0.316 0.900 0.500 CB 1.013 Z: 8 5.588 1.551 0.924 0.504 0.857 0.571 CB 0.822 Z: 10 15.108 1.848 0.941 0.716 1.000 0.667 CB 1.155 9 residues pruned to eliminate duplicates Z: 9 4.146 1.742 -0.151 0.655 0.875 0.625 CB 0.980 Z: 14 8.847 1.619 0.520 0.643 1.000 0.615 CB 0.872 Z: 43 23.497 1.809 0.740 0.573 0.929 0.690 CB 1.156 43 residues pruned to eliminate duplicates Z: 10 10.133 1.516 0.828 0.773 0.889 0.667 CB 1.078 Z: 9 3.946 1.491 0.658 0.385 0.500 0.375 O 1.276 Z: 12 9.688 1.598 0.708 0.787 0.818 0.273 CB 1.016 Z: 8 8.763 1.762 0.544 0.638 0.857 0.571 N 1.248 Z: 17 20.837 1.786 0.810 0.921 1.000 0.688 CB 1.134 17 residues pruned to eliminate duplicates Z: 11 9.864 1.721 0.594 0.813 0.800 0.800 CB 1.083 10 residues pruned to eliminate duplicates Z: 7 10.792 1.865 1.285 0.494 0.667 0.667 CB 1.560 7 residues pruned to eliminate duplicates Z: 37 10.616 1.823 0.631 0.276 0.806 0.361 CB 0.952 37 residues pruned to eliminate duplicates Z: 21 19.525 1.815 0.882 0.740 1.000 0.650 CB 1.031 21 residues pruned to eliminate duplicates Z: 6 7.030 1.712 0.643 0.466 0.800 0.600 O 1.447 Z: 17 6.088 1.567 0.318 0.524 0.875 0.625 CB 0.823 8 residues pruned to eliminate duplicates Z: 9 10.937 1.717 0.939 0.662 1.000 0.625 CB 1.000 9 residues pruned to eliminate duplicates Z: 9 11.951 1.649 0.714 0.800 1.000 1.000 CB 1.150 10 residues pruned to eliminate duplicates Z: 10 8.289 1.627 0.457 0.474 0.889 0.889 CB 1.346 10 residues pruned to eliminate duplicates Z: 6 3.098 1.436 0.817 0.296 0.800 0.400 C 0.834 Z: 8 5.598 1.724 -0.232 0.801 1.000 0.857 N 1.228 7 residues pruned to eliminate duplicates Z: 10 12.790 1.689 0.641 0.852 1.000 1.000 CA 1.138 Z: 10 8.571 1.719 0.330 0.395 1.000 0.444 CB 1.396 10 residues pruned to eliminate duplicates Z: 7 4.105 1.473 0.959 0.327 0.833 0.333 CB 0.843 Z: 13 9.727 1.725 0.894 0.356 0.750 0.500 CB 1.339 6 residues pruned to eliminate duplicates Z: 10 12.229 1.747 0.757 0.579 1.000 0.667 CB 1.230 5 residues pruned to eliminate duplicates Z: 10 8.615 1.791 0.426 0.620 0.889 0.556 CB 1.129 10 residues pruned to eliminate duplicates Z: 11 5.300 1.532 0.663 0.431 0.700 0.600 N 1.010 Z: 9 11.956 1.676 1.000 0.745 0.875 0.375 CB 1.158 9 residues pruned to eliminate duplicates Z: 25 16.513 1.871 0.792 0.266 0.917 0.542 CB 1.432 26 residues pruned to eliminate duplicates Z: 13 9.246 1.560 0.584 0.589 0.833 0.667 CA 1.190 13 residues pruned to eliminate duplicates Z: 21 14.799 1.687 0.803 0.451 0.850 0.450 CA 1.346 18 residues pruned to eliminate duplicates Z: 19 17.384 1.671 0.656 0.831 0.944 0.722 CB 1.178 16 residues pruned to eliminate duplicates Z: 19 10.460 1.746 0.193 0.468 0.833 0.444 CB 1.468 19 residues pruned to eliminate duplicates Z: 10 14.759 1.857 1.093 0.906 0.889 0.778 CB 1.013 11 residues pruned to eliminate duplicates Z: 9 14.861 1.656 0.856 0.900 1.000 0.625 CB 1.221 9 residues pruned to eliminate duplicates Z: 12 12.825 1.699 0.719 0.901 1.000 0.545 CB 0.945 12 residues pruned to eliminate duplicates Z: 14 15.548 1.591 0.614 0.897 1.000 0.692 CB 1.202 10 residues pruned to eliminate duplicates Z: 10 14.284 1.876 0.573 0.900 1.000 0.889 CB 1.153 9 residues pruned to eliminate duplicates Z: 16 9.931 1.682 0.260 0.592 0.933 0.600 CB 1.187 12 residues pruned to eliminate duplicates Z: 12 11.942 1.708 0.614 0.536 0.909 0.636 CB 1.387 9 residues pruned to eliminate duplicates Z: 17 14.408 1.824 0.436 0.612 0.875 0.750 CB 1.414 17 residues pruned to eliminate duplicates Z: 15 11.995 1.683 0.821 0.571 0.857 0.643 N 1.140 18 residues pruned to eliminate duplicates Z: 21 17.418 1.762 0.668 0.801 0.950 0.750 CB 1.073 21 residues pruned to eliminate duplicates Z: 14 11.384 1.818 0.292 0.504 0.923 0.462 N 1.451 14 residues pruned to eliminate duplicates Z: 6 3.966 1.577 0.788 0.370 0.800 0.400 CA 0.904 6 residues pruned to eliminate duplicates Z: 6 3.852 1.659 0.300 0.298 0.800 0.400 CB 1.251 Z: 11 14.983 1.856 0.543 0.889 1.000 0.700 CB 1.191 11 residues pruned to eliminate duplicates Z: 13 7.558 1.548 0.901 0.561 0.750 0.583 CB 0.931 Z: 12 15.623 1.849 0.558 0.902 1.000 0.727 CB 1.167 12 residues pruned to eliminate duplicates Z: 20 16.610 1.668 0.460 0.876 1.000 0.842 CB 1.137 19 residues pruned to eliminate duplicates Z: 11 15.888 1.784 0.647 0.739 0.900 0.800 CB 1.533 11 residues pruned to eliminate duplicates Z: 10 12.882 1.808 0.298 0.895 1.000 0.778 CB 1.312 10 residues pruned to eliminate duplicates Z: 15 17.697 1.828 0.643 0.928 0.929 0.929 CB 1.188 15 residues pruned to eliminate duplicates Z: 16 14.921 1.715 0.903 0.885 0.933 0.533 CB 0.913 16 residues pruned to eliminate duplicates Z: 17 15.668 1.729 0.648 0.896 1.000 0.875 CB 0.984 17 residues pruned to eliminate duplicates Z: 24 21.668 1.814 0.742 0.774 0.957 0.696 CB 1.173 24 residues pruned to eliminate duplicates Z: 9 10.477 1.521 0.650 0.883 0.875 0.750 O 1.220 Z: 7 2.435 1.470 -0.070 0.235 1.000 0.500 CB 0.989 7 residues pruned to eliminate duplicates Z: 7 2.179 1.354 0.622 0.243 0.500 0.500 CB 1.090 Z: 17 10.442 1.765 0.530 0.411 0.750 0.625 CB 1.415 19 residues pruned to eliminate duplicates Z: 12 11.586 1.819 0.504 0.731 0.818 0.727 CB 1.268 12 residues pruned to eliminate duplicates Z: 15 15.890 1.752 0.770 0.867 0.929 0.786 CB 1.079 15 residues pruned to eliminate duplicates Z: 6 3.874 1.846 0.080 0.697 1.000 0.600 CB 0.726 Z: 9 12.557 1.628 1.063 0.720 0.875 0.750 CB 1.238 8 residues pruned to eliminate duplicates Z: 16 11.835 1.839 0.343 0.748 0.733 0.467 CB 1.352 16 residues pruned to eliminate duplicates Z: 14 5.961 1.398 0.676 0.469 0.769 0.462 CB 0.947 14 residues pruned to eliminate duplicates Z: 10 7.006 1.469 0.695 0.894 1.000 0.556 CB 0.673 9 residues pruned to eliminate duplicates Z: 40 23.796 1.711 0.811 0.668 0.923 0.667 CB 1.141 37 residues pruned to eliminate duplicates Z: 7 11.713 1.648 0.751 0.821 1.000 0.833 CA 1.255 7 residues pruned to eliminate duplicates Z: 9 6.457 1.546 0.461 0.448 0.875 0.875 CB 1.218 Z: 8 5.581 1.724 0.379 0.762 0.857 0.571 CB 0.820 8 residues pruned to eliminate duplicates Z: 12 9.479 1.826 0.554 0.441 0.818 0.727 CA 1.308 12 residues pruned to eliminate duplicates Z: 21 16.896 1.752 0.727 0.784 0.900 0.650 CB 1.080 21 residues pruned to eliminate duplicates Z: 10 10.069 1.630 0.676 0.654 0.889 0.667 O 1.197 5 residues pruned to eliminate duplicates Z: 7 8.028 1.704 0.445 0.532 1.000 0.500 CB 1.290 7 residues pruned to eliminate duplicates Z: 16 17.898 1.821 0.630 0.943 1.000 1.000 CB 1.079 16 residues pruned to eliminate duplicates Z: 17 6.038 1.605 0.602 0.215 0.750 0.375 CB 1.095 17 residues pruned to eliminate duplicates Z: 9 2.877 1.274 0.651 0.296 0.625 0.250 CA 0.972 Z: 9 4.620 1.635 0.289 0.382 0.750 0.750 CB 1.171 6 residues pruned to eliminate duplicates Z: 11 6.117 1.592 0.173 0.666 0.800 0.400 CB 1.111 11 residues pruned to eliminate duplicates Z: 17 17.271 1.751 0.789 0.902 1.000 0.688 CB 0.983 17 residues pruned to eliminate duplicates Z: 21 15.531 1.794 0.582 0.511 0.850 0.600 CB 1.423 21 residues pruned to eliminate duplicates Z: 21 13.165 1.628 0.669 0.509 0.850 0.700 CB 1.264 13 residues pruned to eliminate duplicates Z: 19 21.037 1.840 0.927 0.868 0.944 0.667 CB 1.083 19 residues pruned to eliminate duplicates Z: 7 4.577 1.598 0.351 0.544 1.000 0.333 CB 0.829 7 residues pruned to eliminate duplicates Z: 12 5.153 1.580 0.220 0.408 0.818 0.636 CB 1.085 Z: 8 4.497 1.389 0.267 0.527 0.857 0.429 CB 1.098 Z: 10 9.415 1.507 0.574 0.576 1.000 0.556 O 1.229 10 residues pruned to eliminate duplicates Z: 6 3.246 1.500 0.478 0.813 0.600 0.600 CB 0.831 Z: 9 14.827 1.715 0.602 0.845 1.000 0.750 CB 1.419 9 residues pruned to eliminate duplicates Z: 16 6.873 1.441 0.606 0.434 0.800 0.533 CB 1.026 14 residues pruned to eliminate duplicates Z: 15 10.328 1.575 0.495 0.887 0.929 0.571 CB 0.910 12 residues pruned to eliminate duplicates Z: 19 9.527 1.616 0.483 0.512 0.889 0.500 CB 1.041 20 residues pruned to eliminate duplicates Z: 25 24.360 1.874 0.771 0.746 0.958 0.708 CB 1.255 25 residues pruned to eliminate duplicates Z: 12 16.932 1.790 0.782 0.581 1.000 0.636 CB 1.481 12 residues pruned to eliminate duplicates Z: 23 11.601 1.655 0.549 0.393 0.818 0.409 N 1.320 23 residues pruned to eliminate duplicates Z: 10 5.527 1.499 0.339 0.537 1.000 0.778 N 0.885 Z: 10 6.185 1.680 0.250 0.392 0.889 0.556 CB 1.238 Z: 9 10.381 1.482 0.674 0.895 1.000 1.000 N 1.061 Z: 9 11.944 1.523 0.736 0.817 1.000 0.750 N 1.214 8 residues pruned to eliminate duplicates Z: 9 9.002 1.388 0.907 0.752 0.875 0.500 CB 1.097 9 residues pruned to eliminate duplicates Z: 6 4.944 1.262 0.332 0.833 1.000 1.000 CA 0.987 6 residues pruned to eliminate duplicates Z: 11 10.066 1.684 0.478 0.829 0.900 0.800 CB 1.070 11 residues pruned to eliminate duplicates Z: 12 13.986 1.630 0.771 0.862 1.000 0.818 CA 1.072 11 residues pruned to eliminate duplicates Z: 8 3.596 1.648 0.240 0.405 0.714 0.286 CB 1.029 8 residues pruned to eliminate duplicates Z: 13 16.224 1.820 0.663 0.719 0.917 0.750 N 1.386 13 residues pruned to eliminate duplicates Z: 14 12.182 1.460 0.669 0.812 1.000 0.769 CA 1.057 14 residues pruned to eliminate duplicates Z: 6 5.914 1.746 0.219 0.714 1.000 0.800 CB 1.023 Z: 15 6.988 1.652 0.589 0.196 0.857 0.571 CB 1.193 16 residues pruned to eliminate duplicates Z: 9 3.890 1.570 0.350 0.295 0.875 0.500 CB 0.933 Z: 14 15.671 1.714 0.626 0.767 0.923 0.846 N 1.334 14 residues pruned to eliminate duplicates Z: 14 10.804 1.681 0.571 0.677 0.846 0.846 N 1.140 14 residues pruned to eliminate duplicates Z: 14 11.525 1.636 0.745 0.481 0.923 0.385 CB 1.236 13 residues pruned to eliminate duplicates Z: 11 12.543 1.428 1.000 0.864 1.000 0.700 N 1.019 11 residues pruned to eliminate duplicates Z: 12 4.699 1.574 0.342 0.756 0.909 0.727 CB 0.587 Z: 17 14.785 1.770 0.574 0.884 0.938 0.625 CB 1.022 16 residues pruned to eliminate duplicates Z: 9 2.267 1.352 0.579 0.187 0.750 0.375 CB 0.729 Z: 17 15.795 1.699 0.832 0.622 0.938 0.562 CB 1.206 17 residues pruned to eliminate duplicates Z: 13 4.439 1.677 0.028 0.351 0.833 0.583 CB 1.048 19 residues pruned to eliminate duplicates Z: 23 11.097 1.548 0.472 0.542 0.864 0.727 CB 1.153 21 residues pruned to eliminate duplicates Z: 25 17.081 1.949 0.714 0.359 0.917 0.583 CB 1.325 25 residues pruned to eliminate duplicates Z: 10 4.670 1.740 -0.093 0.539 0.778 0.444 CB 1.220 10 residues pruned to eliminate duplicates Z: 8 8.710 1.595 0.431 0.634 1.000 0.571 N 1.272 8 residues pruned to eliminate duplicates Z: 10 11.414 1.608 0.654 0.827 0.889 0.889 CB 1.213 10 residues pruned to eliminate duplicates Z: 15 12.027 1.737 0.829 0.453 0.857 0.500 CB 1.239 15 residues pruned to eliminate duplicates Z: 18 15.131 1.685 0.659 0.866 1.000 0.824 CB 0.961 18 residues pruned to eliminate duplicates Z: 12 8.040 1.537 0.384 0.815 0.909 0.636 CB 0.953 12 residues pruned to eliminate duplicates Z: 10 7.511 1.624 0.659 0.407 0.889 0.556 CB 1.152 9 residues pruned to eliminate duplicates Z: 7 5.552 1.401 0.344 0.787 1.000 0.667 CB 0.935 Z: 9 12.984 1.658 0.645 0.880 1.000 1.000 CB 1.220 9 residues pruned to eliminate duplicates Z: 6 5.673 1.788 0.364 0.826 1.000 0.800 CB 0.785 6 residues pruned to eliminate duplicates Z: 11 16.571 1.730 0.920 0.739 0.900 0.800 CB 1.414 Z: 12 7.884 1.664 0.541 0.617 1.000 0.636 CB 0.830 12 residues pruned to eliminate duplicates Z: 10 13.350 1.892 0.751 0.547 0.889 0.667 CB 1.443 10 residues pruned to eliminate duplicates Z: 9 12.177 1.737 0.770 0.822 0.875 0.500 CB 1.211 9 residues pruned to eliminate duplicates Z: 28 15.796 1.636 0.814 0.549 0.815 0.370 CB 1.199 28 residues pruned to eliminate duplicates Z: 8 13.996 1.754 0.651 0.888 1.000 0.857 CB 1.316 8 residues pruned to eliminate duplicates Z: 7 3.092 1.538 0.423 0.733 0.667 0.667 CB 0.702 6 residues pruned to eliminate duplicates Z: 11 8.588 1.458 0.484 0.796 1.000 0.600 CB 0.969 11 residues pruned to eliminate duplicates Z: 7 4.494 1.775 0.491 0.361 0.667 0.500 CB 1.208 7 residues pruned to eliminate duplicates Z: 31 27.403 1.751 0.960 0.691 1.000 0.600 CB 1.224 31 residues pruned to eliminate duplicates Z: 15 14.468 1.749 0.621 0.899 0.929 0.786 CB 1.050 15 residues pruned to eliminate duplicates Z: 6 3.767 1.719 0.126 0.481 0.800 0.600 CA 1.109 7 residues pruned to eliminate duplicates Z: 25 13.401 1.831 0.621 0.353 0.917 0.708 CB 1.178 25 residues pruned to eliminate duplicates Z: 10 9.392 1.539 0.784 0.815 0.889 0.667 N 0.976 10 residues pruned to eliminate duplicates Z: 10 8.803 1.549 0.736 0.584 0.889 0.889 N 1.132 14 residues pruned to eliminate duplicates Z: 20 15.645 1.739 0.705 0.852 1.000 0.737 CB 0.895 20 residues pruned to eliminate duplicates Z: 8 7.545 1.624 0.383 0.712 0.857 0.714 CB 1.222 8 residues pruned to eliminate duplicates Z: 17 18.640 1.739 0.883 0.674 0.938 0.688 CB 1.293 17 residues pruned to eliminate duplicates Z: 15 9.310 1.596 0.863 0.464 0.786 0.500 CB 1.105 15 residues pruned to eliminate duplicates Z: 13 11.510 1.621 0.925 0.580 0.833 0.500 CA 1.183 13 residues pruned to eliminate duplicates Z: 13 11.997 1.624 0.735 0.891 0.917 0.750 CB 0.964 15 residues pruned to eliminate duplicates Z: 16 17.306 1.691 0.493 0.847 0.933 0.667 CB 1.408 16 residues pruned to eliminate duplicates Z: 11 14.724 1.732 0.559 0.799 1.000 0.800 CB 1.327 11 residues pruned to eliminate duplicates Z: 36 18.390 1.910 0.641 0.322 0.829 0.514 CB 1.456 36 residues pruned to eliminate duplicates Z: 6 4.146 1.419 0.578 0.536 0.800 0.800 N 0.999 Z: 10 10.827 1.648 0.595 0.590 1.000 0.778 CB 1.259 13 residues pruned to eliminate duplicates Z: 26 17.883 1.799 0.579 0.468 0.960 0.680 CB 1.355 26 residues pruned to eliminate duplicates Z: 9 8.306 1.379 0.952 0.842 0.875 0.375 CB 0.929 9 residues pruned to eliminate duplicates Z: 21 12.331 1.649 0.715 0.609 0.850 0.250 CB 1.034 21 residues pruned to eliminate duplicates Z: 9 2.421 1.219 0.840 0.432 0.625 0.625 CB 0.656 9 residues pruned to eliminate duplicates Z: 37 24.410 1.715 0.773 0.625 0.972 0.528 CB 1.224 37 residues pruned to eliminate duplicates Z: 14 4.774 1.406 0.572 0.237 0.846 0.385 CB 0.959 Z: 7 3.056 1.559 0.499 0.737 0.667 0.667 CB 0.647 Z: 7 4.541 1.555 0.660 0.388 0.833 0.333 N 0.970 Z: 26 13.089 1.807 0.651 0.326 0.760 0.520 CB 1.397 40 residues pruned to eliminate duplicates Z: 17 7.438 1.699 0.308 0.358 0.688 0.562 CB 1.418 17 residues pruned to eliminate duplicates Z: 13 11.060 1.561 0.709 0.629 0.917 0.500 N 1.157 15 residues pruned to eliminate duplicates Z: 18 11.797 1.676 0.516 0.533 0.941 0.529 CB 1.157 Z: 6 2.268 1.484 0.023 0.197 0.800 0.600 CB 1.199 Z: 8 4.383 1.352 0.718 0.595 0.857 0.286 CB 0.760 Z: 22 16.608 1.680 0.726 0.517 1.000 0.571 CB 1.229 17 residues pruned to eliminate duplicates Z: 20 12.152 1.861 0.561 0.259 0.895 0.474 CB 1.413 20 residues pruned to eliminate duplicates 6 1.591 1.312 0.466 0.294 0.600 0.400 CB 0.776 ? Z: 6 6.121 1.293 0.487 0.827 1.000 0.600 O 1.072 Z: 8 10.326 1.672 0.585 0.884 1.000 0.571 CB 1.065 8 residues pruned to eliminate duplicates Z: 11 7.327 1.646 0.804 0.451 0.900 0.700 CB 0.912 Z: 10 12.205 1.654 0.536 0.851 1.000 0.889 CB 1.186 10 residues pruned to eliminate duplicates Z: 20 15.198 1.649 0.688 0.856 0.842 0.526 CB 1.097 20 residues pruned to eliminate duplicates Z: 17 23.015 1.702 0.933 0.886 1.000 0.875 CB 1.262 17 residues pruned to eliminate duplicates Z: 10 9.435 1.511 0.445 0.797 1.000 0.444 CB 1.110 10 residues pruned to eliminate duplicates Z: 16 15.319 1.846 0.416 0.866 0.800 0.533 CB 1.385 16 residues pruned to eliminate duplicates 7 1.944 1.202 0.429 0.405 1.000 0.833 N 0.511 ? Z: 6 4.104 1.477 0.417 0.520 1.000 0.800 CA 0.860 Z: 8 12.559 1.833 0.826 0.580 0.857 0.571 CB 1.532 7 residues pruned to eliminate duplicates Z: 9 11.035 1.578 0.678 0.894 1.000 1.000 CB 1.058 Z: 19 18.621 1.782 0.857 0.837 1.000 0.389 CB 0.992 19 residues pruned to eliminate duplicates Z: 15 9.137 1.708 0.321 0.645 0.929 0.643 CB 1.018 19 residues pruned to eliminate duplicates Z: 6 3.372 1.465 0.527 0.409 0.800 0.200 CB 0.927 Z: 6 3.948 1.519 0.489 0.600 0.800 0.600 CB 0.887 Z: 9 10.095 1.609 0.580 0.871 0.875 0.750 CB 1.170 9 residues pruned to eliminate duplicates Z: 6 2.500 1.456 0.013 0.382 0.800 0.400 CB 1.073 Z: 15 4.941 1.472 0.430 0.425 0.786 0.571 CB 0.864 15 residues pruned to eliminate duplicates Z: 8 2.253 1.338 0.414 0.324 0.571 0.571 CB 0.956 Z: 17 8.581 1.649 0.352 0.433 0.938 0.688 CB 1.100 21 residues pruned to eliminate duplicates Z: 16 18.967 1.759 0.722 0.889 1.000 1.000 CB 1.164 16 residues pruned to eliminate duplicates Z: 10 5.718 1.599 0.126 0.527 0.889 0.556 CB 1.160 Z: 9 13.054 1.808 0.748 0.616 1.000 0.625 CB 1.309 Z: 10 4.893 1.677 0.295 0.554 0.889 0.778 CB 0.802 Z: 13 5.233 1.522 0.436 0.282 0.750 0.417 CB 1.178 Z: 8 10.907 1.690 0.584 0.589 1.000 0.571 CB 1.414 Z: 18 8.016 1.685 0.438 0.361 0.765 0.529 CB 1.219 18 residues pruned to eliminate duplicates Z: 14 11.891 1.802 0.406 0.553 0.923 0.615 CB 1.339 14 residues pruned to eliminate duplicates Z: 6 7.392 1.424 0.901 0.600 1.000 0.600 CB 1.110 Z: 15 16.667 1.845 0.367 0.893 1.000 0.786 CB 1.267 15 residues pruned to eliminate duplicates Z: 10 8.952 1.624 0.760 0.568 1.000 0.667 N 0.978 10 residues pruned to eliminate duplicates Z: 17 7.179 1.642 0.409 0.327 0.750 0.500 CB 1.251 11 residues pruned to eliminate duplicates Z: 10 9.771 1.471 1.056 0.897 1.000 0.778 CB 0.771 9 residues pruned to eliminate duplicates Z: 7 6.642 1.778 0.412 0.425 0.833 0.667 CB 1.401 5 residues pruned to eliminate duplicates Z: 21 17.109 1.726 0.775 0.540 0.850 0.500 CB 1.412 20 residues pruned to eliminate duplicates Z: 7 2.502 1.610 0.498 0.475 0.833 0.667 CB 0.521 Z: 15 14.160 1.534 0.744 0.814 0.929 0.786 CB 1.159 15 residues pruned to eliminate duplicates Z: 13 4.557 1.435 0.386 0.384 0.750 0.417 CB 0.997 Z: 15 14.717 1.589 0.715 0.883 0.929 0.643 CA 1.124 15 residues pruned to eliminate duplicates Z: 10 12.682 1.558 0.973 0.900 1.000 0.889 N 0.982 10 residues pruned to eliminate duplicates Z: 16 8.601 1.493 0.865 0.596 0.733 0.600 CB 0.992 16 residues pruned to eliminate duplicates Z: 17 8.416 1.691 0.672 0.271 0.812 0.562 CB 1.188 11 residues pruned to eliminate duplicates Z: 7 5.862 1.605 0.473 0.424 0.833 0.333 N 1.314 7 residues pruned to eliminate duplicates Z: 6 10.362 1.727 0.985 0.672 1.000 0.800 CA 1.153 Z: 8 5.149 1.706 0.124 0.632 1.000 0.714 CB 0.897 8 residues pruned to eliminate duplicates Z: 7 13.008 1.793 0.769 0.751 1.000 0.667 CB 1.339 7 residues pruned to eliminate duplicates Z: 17 16.471 1.735 0.853 0.862 0.938 0.500 CB 1.003 17 residues pruned to eliminate duplicates Z: 7 4.407 1.418 0.308 0.642 1.000 0.833 CB 0.849 Z: 12 4.444 1.650 0.225 0.191 0.727 0.455 O 1.319 7 residues pruned to eliminate duplicates Z: 7 2.806 1.299 0.458 0.355 0.833 0.500 CB 0.849 Z: 17 8.741 1.576 0.234 0.636 1.000 0.500 CB 0.989 29 residues pruned to eliminate duplicates Z: 6 2.365 1.403 0.626 0.375 0.600 0.400 CB 0.883 Z: 9 5.985 1.561 0.334 0.456 1.000 0.750 CA 1.062 8 residues pruned to eliminate duplicates Z: 7 4.176 1.739 0.111 0.810 1.000 0.500 CB 0.673 7 residues pruned to eliminate duplicates Z: 16 4.523 1.476 0.332 0.310 0.800 0.533 CB 0.916 14 residues pruned to eliminate duplicates Z: 10 4.546 1.412 0.382 0.526 0.889 0.667 CB 0.852 Z: 7 3.505 1.407 0.435 0.294 0.833 0.333 N 1.072 Z: 10 11.322 1.634 0.746 0.895 0.778 0.667 CB 1.220 9 residues pruned to eliminate duplicates Z: 16 12.188 1.682 0.669 0.876 0.867 0.867 CB 0.940 16 residues pruned to eliminate duplicates Z: 7 4.455 1.316 0.373 0.517 1.000 0.667 N 0.989 Z: 8 2.906 1.385 0.169 0.408 0.857 0.429 CB 0.872 Z: 12 10.185 1.603 0.640 0.780 0.818 0.455 CB 1.115 12 residues pruned to eliminate duplicates Z: 16 11.372 1.703 0.462 0.406 1.000 0.467 CB 1.301 16 residues pruned to eliminate duplicates Z: 11 9.708 1.644 0.623 0.683 0.900 0.700 CB 1.081 Z: 17 14.987 1.792 0.309 0.852 0.875 0.750 CB 1.350 17 residues pruned to eliminate duplicates Z: 8 2.407 1.317 0.598 0.200 0.714 0.429 N 0.865 Z: 30 15.777 1.631 0.538 0.613 0.931 0.621 CB 1.127 26 residues pruned to eliminate duplicates Z: 7 8.415 1.650 1.069 0.563 0.833 0.500 CB 1.136 7 residues pruned to eliminate duplicates Z: 8 13.042 1.577 0.725 0.847 1.000 0.286 CA 1.346 8 residues pruned to eliminate duplicates Z: 10 3.490 1.292 0.686 0.234 0.778 0.556 C 0.936 Z: 8 11.076 1.574 0.883 0.895 0.857 0.714 CB 1.181 8 residues pruned to eliminate duplicates Z: 11 9.388 1.666 0.618 0.656 0.900 0.600 CB 1.058 11 residues pruned to eliminate duplicates Z: 15 16.627 1.652 0.991 0.918 1.000 0.786 CB 0.953 13 residues pruned to eliminate duplicates Z: 23 13.030 1.672 0.622 0.525 0.864 0.636 CB 1.157 34 residues pruned to eliminate duplicates Z: 9 3.619 1.488 0.283 0.444 0.875 0.625 CB 0.811 Z: 7 9.614 1.597 0.485 0.877 1.000 1.000 CB 1.202 7 residues pruned to eliminate duplicates Z: 9 2.774 1.354 0.440 0.482 0.875 0.625 CB 0.585 Z: 22 15.412 1.753 0.713 0.601 0.952 0.810 CB 1.069 23 residues pruned to eliminate duplicates Z: 19 16.506 1.662 0.574 0.863 1.000 0.778 CB 1.092 19 residues pruned to eliminate duplicates Z: 6 3.301 1.354 0.888 0.275 0.600 0.400 C 1.242 Z: 6 2.139 1.185 0.549 0.259 0.800 0.400 N 0.858 6 residues pruned to eliminate duplicates 6 1.512 1.328 -0.027 0.335 0.600 0.600 CB 1.044 ? Z: 16 13.748 1.712 0.675 0.605 0.933 0.533 CB 1.200 16 residues pruned to eliminate duplicates Z: 9 8.137 1.647 0.461 0.690 1.000 0.625 CB 1.004 9 residues pruned to eliminate duplicates Z: 11 6.519 1.531 0.407 0.663 0.900 0.400 CB 0.915 9 residues pruned to eliminate duplicates Z: 10 5.644 1.515 0.274 0.329 0.889 0.444 N 1.323 10 residues pruned to eliminate duplicates Z: 14 13.325 1.601 0.603 0.907 0.923 0.615 CB 1.109 14 residues pruned to eliminate duplicates Z: 19 16.911 1.815 0.530 0.832 0.944 0.611 CB 1.141 19 residues pruned to eliminate duplicates Z: 7 5.595 1.600 0.003 0.635 1.000 0.833 CB 1.255 Z: 8 6.118 1.442 0.873 0.483 0.857 0.714 CA 1.015 9 residues pruned to eliminate duplicates Z: 9 4.914 1.484 0.652 0.285 0.750 0.625 N 1.204 9 residues pruned to eliminate duplicates Z: 12 5.813 1.499 0.419 0.280 0.818 0.455 CB 1.291 13 residues pruned to eliminate duplicates Z: 7 6.661 1.468 0.526 0.531 1.000 0.833 N 1.178 Z: 6 9.850 1.592 0.690 0.843 1.000 0.800 CB 1.219 7 residues pruned to eliminate duplicates Z: 6 3.646 1.513 0.524 0.583 1.000 0.400 CB 0.653 Z: 7 3.999 1.341 0.145 0.460 1.000 0.667 CA 1.108 Z: 9 4.664 1.662 0.438 0.420 0.750 0.500 CB 1.000 9 residues pruned to eliminate duplicates Z: 7 10.030 1.695 0.918 0.827 1.000 0.500 CB 0.949 7 residues pruned to eliminate duplicates Z: 15 12.917 1.632 0.645 0.864 1.000 0.786 CB 0.942 15 residues pruned to eliminate duplicates Z: 6 5.012 1.469 0.590 0.600 0.800 0.800 CB 1.090 Z: 16 9.253 1.720 0.317 0.531 0.867 0.733 CB 1.180 16 residues pruned to eliminate duplicates Z: 9 11.322 1.881 0.204 0.904 1.000 1.000 CB 1.259 9 residues pruned to eliminate duplicates Z: 28 16.305 1.700 0.798 0.578 0.926 0.593 CB 1.029 28 residues pruned to eliminate duplicates Z: 7 3.703 1.450 0.926 0.418 0.667 0.500 CB 0.884 Z: 8 8.661 1.637 0.217 0.820 1.000 1.000 O 1.245 8 residues pruned to eliminate duplicates Z: 24 7.122 1.794 0.530 0.273 0.739 0.478 CB 0.947 24 residues pruned to eliminate duplicates Z: 9 12.093 1.578 0.792 0.896 0.875 0.375 CB 1.238 9 residues pruned to eliminate duplicates 8 1.730 1.359 0.326 0.341 0.714 0.571 CB 0.604 ? Z: 9 10.703 1.576 0.550 0.847 1.000 0.875 CB 1.150 9 residues pruned to eliminate duplicates Z: 13 16.766 1.816 0.664 0.752 1.000 0.750 CB 1.280 13 residues pruned to eliminate duplicates Z: 19 9.380 1.653 0.520 0.332 0.778 0.556 CB 1.359 37 residues pruned to eliminate duplicates Z: 10 6.971 1.558 0.747 0.439 1.000 0.667 CB 0.909 Z: 7 4.045 1.336 0.100 0.717 1.000 0.833 C 0.923 Z: 9 6.515 1.825 0.327 0.302 0.875 0.375 CB 1.355 9 residues pruned to eliminate duplicates Z: 8 3.953 1.588 -0.062 0.582 0.857 0.571 CB 1.081 Z: 10 3.097 1.581 0.095 0.571 0.667 0.667 CB 0.835 Z: 10 6.442 1.653 0.716 0.377 0.778 0.667 CB 1.109 23 residues pruned to eliminate duplicates Z: 12 6.471 1.480 0.572 0.517 0.727 0.545 N 1.134 12 residues pruned to eliminate duplicates Z: 14 13.888 1.624 0.643 0.928 1.000 0.769 CB 1.011 14 residues pruned to eliminate duplicates Z: 6 2.014 1.278 0.071 0.472 1.000 0.400 CB 0.677 Z: 8 7.766 1.540 0.703 0.794 0.857 0.429 CB 1.009 8 residues pruned to eliminate duplicates Z: 14 13.199 1.633 0.890 0.503 1.000 0.692 CB 1.183 14 residues pruned to eliminate duplicates Z: 25 13.667 1.654 0.453 0.513 0.917 0.667 CB 1.249 25 residues pruned to eliminate duplicates Z: 20 11.356 1.764 0.766 0.360 0.895 0.579 CB 1.087 20 residues pruned to eliminate duplicates Z: 16 15.489 1.686 0.984 0.852 1.000 0.267 CB 0.884 16 residues pruned to eliminate duplicates Z: 7 3.623 1.550 0.437 0.312 0.833 0.500 CB 0.981 Z: 12 4.360 1.524 0.727 0.381 0.727 0.455 CB 0.779 9 residues pruned to eliminate duplicates Z: 21 12.292 1.635 0.587 0.550 0.850 0.600 CB 1.186 27 residues pruned to eliminate duplicates Z: 8 6.082 1.727 0.398 0.365 1.000 0.429 CB 1.101 8 residues pruned to eliminate duplicates Z: 7 4.991 1.545 0.755 0.410 0.833 0.500 CA 0.991 6 1.940 1.366 0.520 0.294 0.800 0.600 CB 0.658 ? Z: 8 7.431 1.454 0.566 0.761 0.857 0.714 N 1.141 6 residues pruned to eliminate duplicates Z: 8 3.589 1.638 0.339 0.297 0.714 0.429 CB 1.086 7 residues pruned to eliminate duplicates Z: 33 14.873 1.648 0.257 0.670 0.938 0.812 CB 1.156 33 residues pruned to eliminate duplicates Z: 14 14.890 1.846 0.614 0.824 0.923 0.769 CB 1.134 14 residues pruned to eliminate duplicates Z: 8 14.151 1.755 0.730 0.869 1.000 1.000 CB 1.287 8 residues pruned to eliminate duplicates Z: 8 9.171 1.704 0.536 0.462 1.000 0.714 N 1.377 8 residues pruned to eliminate duplicates Z: 15 10.404 1.631 0.442 0.581 1.000 0.500 CB 1.093 Z: 8 6.874 1.453 0.686 0.823 1.000 1.000 CB 0.802 Z: 6 8.666 1.667 0.317 0.860 1.000 1.000 CB 1.298 6 residues pruned to eliminate duplicates Z: 13 4.931 1.477 0.321 0.346 0.750 0.583 N 1.150 15 residues pruned to eliminate duplicates 7 0.962 1.252 0.253 0.305 0.500 0.500 CB 0.621 ? Z: 10 10.054 1.591 0.625 0.496 1.000 0.667 CA 1.302 10 residues pruned to eliminate duplicates Z: 11 3.054 1.548 -0.234 0.628 1.000 0.500 CB 0.722 10 residues pruned to eliminate duplicates Z: 10 8.827 1.770 0.536 0.378 0.889 0.556 CA 1.387 10 residues pruned to eliminate duplicates Z: 17 10.787 1.695 0.589 0.635 0.938 0.688 CB 0.942 17 residues pruned to eliminate duplicates 658 residues left after pruning, divided into chains as follows: A: 17 B: 15 C: 6 D: 7 E: 15 F: 37 G: 19 H: 9 I: 22 J: 11 K: 11 L: 79 M: 47 N: 9 O: 8 P: 10 Q: 22 R: 53 S: 91 T: 8 U: 33 V: 9 W: 6 X: 45 Y: 15 Z: 40 Z: 14 CC for partial structure against native data = 35.01 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.485, Connect. = 0.713 for dens.mod. cycle 1 = 0.300, Contrast = 0.562, Connect. = 0.738 for dens.mod. cycle 2 = 0.300, Contrast = 0.663, Connect. = 0.767 for dens.mod. cycle 3 = 0.300, Contrast = 0.674, Connect. = 0.769 for dens.mod. cycle 4 = 0.300, Contrast = 0.684, Connect. = 0.771 for dens.mod. cycle 5 = 0.300, Contrast = 0.687, Connect. = 0.773 for dens.mod. cycle 6 = 0.300, Contrast = 0.690, Connect. = 0.774 for dens.mod. cycle 7 = 0.300, Contrast = 0.691, Connect. = 0.775 for dens.mod. cycle 8 = 0.300, Contrast = 0.692, Connect. = 0.776 for dens.mod. cycle 9 = 0.300, Contrast = 0.692, Connect. = 0.777 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3224 peaks > 0.5 sigma used to seed fragment search Space for about 1132 unique residues taking solvent into account 760 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 19.305 1.745 0.792 0.864 0.923 0.846 CA 1.360 B: 17 24.349 1.888 0.727 0.878 1.000 0.750 CB 1.355 13 residues pruned to eliminate duplicates C: 17 23.362 1.878 0.549 0.911 1.000 0.875 CB 1.423 17 residues pruned to eliminate duplicates D: 17 22.625 1.953 0.510 0.894 1.000 0.938 CB 1.376 E: 20 17.506 2.007 0.632 0.369 0.895 0.737 CB 1.577 F: 17 28.137 1.869 0.803 0.899 1.000 0.812 CA 1.493 17 residues pruned to eliminate duplicates G: 33 20.549 1.903 0.534 0.655 0.969 0.594 CB 1.112 H: 62 29.587 1.988 0.623 0.423 0.934 0.557 CB 1.361 I: 28 18.396 2.062 0.589 0.410 0.815 0.593 CB 1.457 19 residues pruned to eliminate duplicates J: 16 22.390 1.959 0.888 0.877 1.000 0.600 CB 1.136 18 residues pruned to eliminate duplicates K: 17 25.810 1.842 0.886 0.916 1.000 0.562 CB 1.312 17 residues pruned to eliminate duplicates L: 20 17.275 1.841 0.632 0.822 0.842 0.526 CB 1.185 19 residues pruned to eliminate duplicates M: 23 22.412 1.933 0.736 0.600 0.864 0.636 CB 1.499 N: 20 31.221 1.987 0.951 0.871 0.947 0.421 CB 1.422 O: 19 30.332 1.999 0.950 0.905 0.944 0.556 CB 1.383 19 residues pruned to eliminate duplicates P: 16 16.874 1.870 0.568 0.893 0.867 0.800 CB 1.231 Q: 15 22.884 1.973 0.773 0.928 0.929 0.786 CB 1.319 R: 10 5.169 1.769 0.666 0.415 0.667 0.444 CB 0.958 S: 17 18.121 1.911 0.344 0.900 0.938 0.938 CB 1.344 17 residues pruned to eliminate duplicates T: 46 22.931 1.876 0.611 0.452 0.889 0.600 CB 1.337 33 residues pruned to eliminate duplicates U: 18 28.989 2.019 1.009 0.875 0.941 0.412 CB 1.339 18 residues pruned to eliminate duplicates V: 39 23.647 2.040 0.726 0.350 0.868 0.579 CB 1.476 29 residues pruned to eliminate duplicates W: 35 27.340 2.141 0.671 0.397 0.971 0.676 CB 1.506 39 residues pruned to eliminate duplicates X: 15 20.475 1.977 0.693 0.921 0.857 0.714 CB 1.343 15 residues pruned to eliminate duplicates Y: 15 20.460 1.994 0.644 0.865 0.929 0.786 CB 1.317 16 residues pruned to eliminate duplicates Z: 18 14.853 1.919 0.618 0.833 0.882 0.529 CB 0.986 18 residues pruned to eliminate duplicates Z: 19 26.530 2.028 0.627 0.883 0.944 0.667 CA 1.450 19 residues pruned to eliminate duplicates Z: 17 16.146 1.866 0.073 0.912 1.000 0.938 CB 1.427 17 residues pruned to eliminate duplicates Z: 34 24.773 2.081 0.600 0.400 0.970 0.727 CA 1.483 34 residues pruned to eliminate duplicates Z: 15 21.475 1.776 0.912 0.909 1.000 0.571 CB 1.200 Z: 15 22.427 1.943 0.861 0.883 1.000 0.786 CB 1.199 15 residues pruned to eliminate duplicates Z: 16 16.350 1.666 0.868 0.835 0.933 0.667 CB 1.088 16 residues pruned to eliminate duplicates Z: 17 13.309 1.913 0.925 0.851 0.750 0.500 CB 0.892 17 residues pruned to eliminate duplicates Z: 15 19.215 1.981 0.700 0.899 0.857 0.857 CB 1.272 15 residues pruned to eliminate duplicates Z: 36 25.607 2.077 0.759 0.364 0.943 0.657 CA 1.453 36 residues pruned to eliminate duplicates Z: 39 20.330 2.057 0.491 0.351 0.842 0.579 CB 1.502 39 residues pruned to eliminate duplicates Z: 19 28.082 2.020 0.731 0.874 0.944 0.500 CB 1.458 19 residues pruned to eliminate duplicates Z: 13 15.103 1.895 0.680 0.565 1.000 0.667 CB 1.286 Z: 11 9.682 1.880 0.207 0.607 0.900 0.600 CB 1.355 Z: 10 15.121 2.010 0.506 0.850 0.889 0.778 CB 1.388 10 residues pruned to eliminate duplicates Z: 21 16.803 1.854 0.563 0.524 0.950 0.550 CB 1.333 Z: 20 16.607 1.786 0.633 0.608 1.000 0.684 CB 1.179 13 residues pruned to eliminate duplicates Z: 45 34.739 1.872 0.808 0.684 0.977 0.659 CB 1.337 39 residues pruned to eliminate duplicates Z: 17 26.748 1.870 0.809 0.927 1.000 0.875 CB 1.385 17 residues pruned to eliminate duplicates Z: 38 32.477 1.908 0.801 0.735 0.973 0.649 CB 1.294 38 residues pruned to eliminate duplicates Z: 20 19.012 1.773 0.426 0.854 0.947 0.737 CA 1.345 Z: 22 14.334 1.856 0.624 0.412 0.905 0.619 CB 1.258 Z: 19 34.772 2.055 0.916 0.904 1.000 0.722 CB 1.482 19 residues pruned to eliminate duplicates Z: 16 19.690 1.856 0.494 0.896 1.000 1.000 CA 1.314 16 residues pruned to eliminate duplicates Z: 28 15.269 2.020 0.431 0.310 0.815 0.556 CB 1.540 15 residues pruned to eliminate duplicates Z: 14 18.436 1.822 0.906 0.632 0.923 0.769 CB 1.409 Z: 8 9.431 1.816 0.703 0.566 1.000 0.571 CB 1.081 Z: 34 29.060 1.925 0.775 0.630 0.939 0.606 CB 1.395 34 residues pruned to eliminate duplicates Z: 29 20.027 1.862 0.607 0.548 0.964 0.643 CB 1.251 12 residues pruned to eliminate duplicates Z: 10 7.586 1.600 0.614 0.767 0.778 0.556 CB 0.994 Z: 20 8.501 1.827 0.466 0.343 0.684 0.316 CB 1.262 Z: 15 20.183 2.001 0.738 0.664 0.929 0.643 CB 1.435 Z: 8 3.116 1.605 0.395 0.222 0.714 0.429 CB 1.020 Z: 9 11.884 1.867 0.563 0.652 0.875 0.625 CB 1.428 Z: 17 27.334 2.009 0.821 0.877 0.938 0.625 CB 1.447 17 residues pruned to eliminate duplicates Z: 20 14.533 1.830 0.392 0.818 0.842 0.579 CB 1.179 20 residues pruned to eliminate duplicates Z: 15 21.263 2.009 0.737 0.868 0.857 0.571 CB 1.389 15 residues pruned to eliminate duplicates Z: 11 22.927 1.899 1.156 0.740 0.900 0.700 N 1.587 Z: 18 21.164 1.925 0.427 0.869 0.941 0.706 CA 1.450 18 residues pruned to eliminate duplicates Z: 13 4.654 1.817 0.226 0.325 0.917 0.583 CB 0.798 Z: 18 7.623 1.741 0.334 0.486 0.765 0.529 CB 1.056 10 residues pruned to eliminate duplicates Z: 6 2.937 1.477 0.059 0.564 1.000 0.600 CB 0.789 Z: 11 15.397 1.667 0.591 0.834 1.000 0.900 CB 1.376 Z: 19 27.671 2.024 0.707 0.865 0.944 0.611 CB 1.464 19 residues pruned to eliminate duplicates Z: 14 8.468 1.860 0.449 0.365 0.769 0.538 CA 1.309 Z: 60 33.038 1.953 0.623 0.481 0.966 0.610 CB 1.433 59 residues pruned to eliminate duplicates Z: 22 25.736 1.958 0.871 0.646 0.857 0.667 N 1.560 23 residues pruned to eliminate duplicates Z: 17 10.984 1.875 0.366 0.330 0.938 0.625 CB 1.377 13 residues pruned to eliminate duplicates Z: 37 33.816 1.916 0.756 0.712 0.972 0.667 CB 1.421 37 residues pruned to eliminate duplicates Z: 9 10.561 1.680 0.244 0.872 1.000 1.000 CB 1.302 10 residues pruned to eliminate duplicates Z: 47 33.785 1.969 0.596 0.579 0.957 0.609 CB 1.537 47 residues pruned to eliminate duplicates Z: 15 18.283 1.718 0.424 0.897 1.000 0.929 CA 1.430 15 residues pruned to eliminate duplicates Z: 21 16.916 1.848 0.683 0.645 0.900 0.600 CB 1.181 Z: 17 9.564 1.798 0.346 0.446 0.875 0.500 CB 1.193 11 residues pruned to eliminate duplicates Z: 10 11.896 1.956 0.637 0.629 0.778 0.667 CB 1.410 10 residues pruned to eliminate duplicates Z: 10 7.991 1.753 0.134 0.580 1.000 0.667 CB 1.240 10 residues pruned to eliminate duplicates Z: 9 10.725 1.717 0.601 0.615 1.000 0.875 CB 1.237 9 residues pruned to eliminate duplicates Z: 40 21.179 2.026 0.463 0.346 0.872 0.590 CB 1.551 35 residues pruned to eliminate duplicates Z: 19 23.594 1.883 0.647 0.851 0.944 0.667 CB 1.405 19 residues pruned to eliminate duplicates Z: 18 17.038 1.886 0.241 0.904 1.000 0.824 CB 1.257 18 residues pruned to eliminate duplicates Z: 19 14.897 1.928 0.537 0.438 0.833 0.556 CB 1.515 15 residues pruned to eliminate duplicates Z: 22 20.373 1.894 0.739 0.710 0.952 0.714 CB 1.172 12 residues pruned to eliminate duplicates Z: 14 15.803 1.877 0.823 0.587 0.846 0.615 CB 1.392 14 residues pruned to eliminate duplicates Z: 17 22.167 1.971 0.500 0.857 0.938 0.750 CB 1.474 17 residues pruned to eliminate duplicates Z: 21 20.031 1.896 0.586 0.837 0.900 0.700 CA 1.238 21 residues pruned to eliminate duplicates Z: 46 28.646 1.834 0.735 0.649 0.933 0.667 CB 1.251 46 residues pruned to eliminate duplicates Z: 11 11.650 1.874 0.593 0.391 1.000 0.500 CB 1.386 11 residues pruned to eliminate duplicates Z: 25 12.178 1.756 0.532 0.395 0.792 0.625 CA 1.305 27 residues pruned to eliminate duplicates Z: 24 12.034 1.775 0.618 0.403 0.826 0.565 CB 1.171 22 residues pruned to eliminate duplicates Z: 9 9.100 1.737 0.123 0.821 1.000 0.750 CB 1.248 9 residues pruned to eliminate duplicates Z: 15 24.478 1.975 0.986 0.879 0.929 0.714 CB 1.303 15 residues pruned to eliminate duplicates Z: 14 12.078 1.673 0.414 0.884 0.923 0.846 CB 1.108 Z: 22 11.450 1.856 0.374 0.458 0.857 0.571 CB 1.194 22 residues pruned to eliminate duplicates Z: 21 15.850 2.144 0.496 0.328 0.850 0.550 CA 1.570 21 residues pruned to eliminate duplicates Z: 45 21.804 2.018 0.643 0.350 0.864 0.568 CB 1.350 39 residues pruned to eliminate duplicates Z: 15 21.620 2.021 0.823 0.706 0.929 0.714 CB 1.401 15 residues pruned to eliminate duplicates Z: 8 7.257 1.881 0.522 0.781 1.000 0.429 CB 0.748 10 residues pruned to eliminate duplicates Z: 35 27.408 1.879 0.765 0.673 0.912 0.706 CB 1.325 35 residues pruned to eliminate duplicates Z: 10 16.487 2.013 0.679 0.836 0.889 0.667 CB 1.370 10 residues pruned to eliminate duplicates Z: 18 12.857 1.800 0.600 0.583 0.824 0.588 CB 1.214 17 residues pruned to eliminate duplicates Z: 64 41.264 1.988 0.690 0.586 0.921 0.651 CB 1.548 75 residues pruned to eliminate duplicates Z: 15 16.656 1.808 0.860 0.663 0.857 0.786 CB 1.328 15 residues pruned to eliminate duplicates Z: 16 13.818 1.996 0.514 0.483 0.800 0.667 CB 1.502 16 residues pruned to eliminate duplicates Z: 21 8.706 1.599 0.619 0.532 0.750 0.450 CB 0.971 Z: 19 28.920 2.002 0.870 0.884 0.944 0.611 CB 1.393 19 residues pruned to eliminate duplicates Z: 13 16.832 1.925 0.855 0.540 0.917 0.583 N 1.427 13 residues pruned to eliminate duplicates Z: 16 30.399 1.910 0.912 0.926 1.000 0.933 CA 1.507 16 residues pruned to eliminate duplicates Z: 8 9.734 1.647 0.294 0.872 1.000 1.000 CB 1.259 Z: 14 10.077 1.802 0.571 0.363 0.923 0.308 CB 1.239 14 residues pruned to eliminate duplicates Z: 40 32.029 1.875 0.849 0.682 0.949 0.564 CB 1.320 40 residues pruned to eliminate duplicates Z: 18 18.958 1.874 0.636 0.873 0.941 0.765 CB 1.160 18 residues pruned to eliminate duplicates Z: 15 24.990 1.990 0.971 0.768 1.000 0.714 CB 1.344 15 residues pruned to eliminate duplicates Z: 11 11.241 1.564 0.497 0.849 1.000 0.700 CA 1.126 Z: 6 6.969 1.792 0.410 0.680 1.000 0.600 CB 1.045 Z: 20 15.719 1.733 0.195 0.879 1.000 0.789 CB 1.262 20 residues pruned to eliminate duplicates Z: 24 24.607 1.855 0.836 0.638 0.913 0.652 N 1.450 21 residues pruned to eliminate duplicates Z: 9 6.268 1.866 0.202 0.383 0.875 0.625 CA 1.279 9 residues pruned to eliminate duplicates Z: 14 12.332 1.891 0.545 0.410 0.923 0.692 CB 1.394 14 residues pruned to eliminate duplicates Z: 9 12.370 1.612 0.435 0.908 1.000 1.000 CB 1.343 9 residues pruned to eliminate duplicates Z: 9 11.060 1.734 0.578 0.849 1.000 0.875 CB 1.059 9 residues pruned to eliminate duplicates Z: 52 24.390 1.828 0.700 0.560 0.922 0.549 CB 1.125 46 residues pruned to eliminate duplicates Z: 11 9.179 1.685 0.665 0.477 0.800 0.400 CB 1.324 11 residues pruned to eliminate duplicates Z: 74 33.925 2.012 0.609 0.435 0.904 0.603 CB 1.450 74 residues pruned to eliminate duplicates Z: 11 9.224 1.754 0.659 0.579 0.800 0.500 CB 1.161 11 residues pruned to eliminate duplicates Z: 16 22.160 2.010 0.456 0.893 0.933 0.867 CA 1.504 16 residues pruned to eliminate duplicates Z: 13 18.467 1.966 0.651 0.678 0.917 0.667 CA 1.522 13 residues pruned to eliminate duplicates Z: 16 10.463 1.960 0.340 0.349 0.800 0.467 CB 1.514 16 residues pruned to eliminate duplicates Z: 11 11.270 1.820 0.510 0.582 0.900 0.800 CB 1.331 11 residues pruned to eliminate duplicates Z: 11 9.153 1.797 0.567 0.472 0.900 0.500 CA 1.176 10 residues pruned to eliminate duplicates Z: 19 17.957 1.836 0.411 0.887 0.944 0.722 CB 1.247 18 residues pruned to eliminate duplicates Z: 7 7.303 1.799 0.431 0.555 0.833 0.500 CB 1.318 8 residues pruned to eliminate duplicates Z: 14 27.305 2.065 0.833 0.698 1.000 0.692 N 1.669 13 residues pruned to eliminate duplicates Z: 24 17.500 1.800 0.855 0.409 0.826 0.565 CB 1.455 24 residues pruned to eliminate duplicates Z: 18 15.409 1.721 1.027 0.616 0.824 0.765 N 1.165 Z: 15 19.538 1.743 0.728 0.898 0.929 0.857 CA 1.335 15 residues pruned to eliminate duplicates Z: 20 23.191 2.009 0.652 0.639 0.895 0.579 CA 1.572 20 residues pruned to eliminate duplicates Z: 20 33.552 2.003 0.818 0.888 1.000 0.789 CB 1.523 20 residues pruned to eliminate duplicates Z: 32 24.397 2.171 0.656 0.401 0.903 0.645 CB 1.498 37 residues pruned to eliminate duplicates Z: 8 3.955 1.651 0.190 0.409 0.857 0.714 CB 0.976 Z: 30 19.509 1.789 0.501 0.628 0.862 0.759 CB 1.387 23 residues pruned to eliminate duplicates Z: 11 13.023 1.784 0.815 0.865 0.800 0.600 CB 1.165 11 residues pruned to eliminate duplicates Z: 15 15.737 1.931 0.351 0.893 0.929 0.857 CB 1.247 15 residues pruned to eliminate duplicates Z: 9 13.254 1.694 0.945 0.854 1.000 0.875 CB 1.050 16 residues pruned to eliminate duplicates Z: 35 15.859 1.774 0.281 0.583 0.912 0.647 CB 1.212 35 residues pruned to eliminate duplicates Z: 15 6.995 1.658 0.471 0.351 0.857 0.571 CB 1.051 Z: 70 31.874 1.999 0.532 0.465 0.913 0.623 CB 1.422 70 residues pruned to eliminate duplicates Z: 21 17.390 1.734 0.458 0.794 0.900 0.600 CB 1.321 21 residues pruned to eliminate duplicates Z: 14 21.955 1.966 0.657 0.910 1.000 0.769 CB 1.326 14 residues pruned to eliminate duplicates Z: 9 18.256 1.892 0.687 0.857 1.000 0.500 CB 1.491 11 residues pruned to eliminate duplicates Z: 21 14.741 1.840 0.230 0.854 0.950 0.900 CA 1.133 21 residues pruned to eliminate duplicates Z: 6 5.864 1.594 0.446 0.817 0.800 0.600 CA 1.081 6 residues pruned to eliminate duplicates Z: 9 16.954 1.975 0.650 0.792 1.000 0.625 CB 1.423 9 residues pruned to eliminate duplicates Z: 12 11.612 1.894 0.735 0.414 0.909 0.636 CB 1.282 12 residues pruned to eliminate duplicates Z: 11 11.810 1.775 0.432 0.803 1.000 0.500 CA 1.127 11 residues pruned to eliminate duplicates Z: 13 9.974 1.812 0.228 0.511 0.917 0.750 CB 1.397 13 residues pruned to eliminate duplicates Z: 18 13.240 1.922 0.539 0.451 0.765 0.412 CB 1.492 18 residues pruned to eliminate duplicates Z: 13 6.304 1.718 0.520 0.406 0.750 0.583 CB 1.025 Z: 35 19.241 2.026 0.681 0.336 0.853 0.559 CB 1.360 35 residues pruned to eliminate duplicates Z: 20 19.673 1.831 0.789 0.756 1.000 0.842 CB 1.097 20 residues pruned to eliminate duplicates Z: 30 13.312 1.798 0.550 0.429 0.759 0.345 CB 1.260 30 residues pruned to eliminate duplicates Z: 9 13.055 1.949 0.606 0.888 0.875 0.875 CB 1.214 9 residues pruned to eliminate duplicates Z: 10 5.228 1.817 0.060 0.629 1.000 0.667 CB 0.801 Z: 17 19.032 1.894 0.406 0.891 0.938 0.875 CB 1.370 17 residues pruned to eliminate duplicates Z: 12 11.938 1.798 0.319 0.591 1.000 0.818 CB 1.391 12 residues pruned to eliminate duplicates Z: 37 31.870 1.915 0.907 0.716 0.917 0.722 CB 1.305 37 residues pruned to eliminate duplicates Z: 7 11.528 1.679 0.573 0.894 1.000 1.000 CB 1.278 8 residues pruned to eliminate duplicates Z: 11 14.696 1.679 0.499 0.777 1.000 0.500 CA 1.446 10 residues pruned to eliminate duplicates Z: 12 13.303 2.059 0.492 0.454 0.909 0.727 CB 1.506 12 residues pruned to eliminate duplicates Z: 8 4.824 1.730 0.087 0.567 0.714 0.571 CB 1.273 8 residues pruned to eliminate duplicates Z: 18 13.089 1.703 0.492 0.493 0.941 0.588 CA 1.336 16 residues pruned to eliminate duplicates Z: 13 3.841 1.649 -0.041 0.579 0.833 0.583 CB 0.779 Z: 32 21.464 1.939 0.520 0.625 0.935 0.677 CB 1.242 32 residues pruned to eliminate duplicates Z: 35 23.200 2.106 0.532 0.413 0.941 0.588 CB 1.434 35 residues pruned to eliminate duplicates Z: 15 18.388 1.933 0.522 0.880 0.857 0.643 CB 1.412 15 residues pruned to eliminate duplicates Z: 75 29.506 1.981 0.475 0.424 0.905 0.554 CB 1.402 75 residues pruned to eliminate duplicates Z: 7 8.967 1.898 0.429 0.569 0.833 0.667 CB 1.516 Z: 12 17.528 1.877 0.891 0.695 0.909 0.909 N 1.370 Z: 18 18.080 1.794 0.676 0.704 0.941 0.765 CB 1.287 12 residues pruned to eliminate duplicates Z: 45 21.294 1.783 0.617 0.588 0.909 0.636 CB 1.125 76 residues pruned to eliminate duplicates Z: 9 11.309 1.893 0.369 0.629 1.000 0.875 CB 1.367 Z: 8 5.854 1.623 0.409 0.499 0.857 0.714 CB 1.130 6 residues pruned to eliminate duplicates Z: 8 6.350 1.625 0.287 0.683 1.000 0.714 CA 0.971 Z: 18 18.464 1.847 0.373 0.870 1.000 0.882 CB 1.289 18 residues pruned to eliminate duplicates Z: 6 4.942 1.727 0.916 0.296 0.800 0.400 CB 1.049 Z: 20 19.791 1.789 0.656 0.843 0.895 0.632 CB 1.275 20 residues pruned to eliminate duplicates Z: 21 24.506 1.965 0.573 0.762 1.000 0.650 CA 1.405 21 residues pruned to eliminate duplicates Z: 9 8.448 1.410 0.596 0.879 0.875 0.750 CB 1.100 Z: 11 22.554 1.874 1.047 0.718 1.000 0.700 CA 1.526 13 residues pruned to eliminate duplicates Z: 17 18.678 1.820 0.609 0.860 0.938 0.750 CB 1.250 17 residues pruned to eliminate duplicates Z: 9 12.446 1.755 0.294 0.888 1.000 0.875 CA 1.396 9 residues pruned to eliminate duplicates Z: 20 20.136 1.870 0.453 0.835 0.947 0.684 CA 1.345 20 residues pruned to eliminate duplicates Z: 18 18.143 1.990 0.451 0.659 0.882 0.647 CB 1.490 18 residues pruned to eliminate duplicates Z: 9 12.164 1.777 0.511 0.852 1.000 1.000 CB 1.185 9 residues pruned to eliminate duplicates Z: 6 2.464 1.716 0.005 0.372 0.600 0.400 CB 1.222 Z: 18 17.300 1.883 0.525 0.861 1.000 0.765 CB 1.074 13 residues pruned to eliminate duplicates Z: 21 13.422 1.928 0.539 0.333 0.950 0.500 CB 1.279 21 residues pruned to eliminate duplicates Z: 17 17.461 1.894 0.595 0.843 0.875 0.500 CB 1.230 16 residues pruned to eliminate duplicates Z: 15 14.514 1.694 0.928 0.518 0.857 0.571 CB 1.362 18 residues pruned to eliminate duplicates Z: 16 16.986 1.875 0.521 0.898 0.933 0.667 CB 1.179 16 residues pruned to eliminate duplicates Z: 26 13.817 1.736 0.576 0.553 0.960 0.640 CB 0.999 23 residues pruned to eliminate duplicates Z: 15 19.430 1.950 0.787 0.839 0.857 0.714 CB 1.299 15 residues pruned to eliminate duplicates Z: 20 20.970 1.936 0.477 0.858 1.000 0.789 CA 1.239 20 residues pruned to eliminate duplicates Z: 16 9.099 1.660 0.621 0.364 0.800 0.600 CB 1.263 21 residues pruned to eliminate duplicates Z: 17 17.658 1.669 0.567 0.888 1.000 0.688 CB 1.216 16 residues pruned to eliminate duplicates Z: 16 8.890 1.834 0.271 0.326 0.933 0.600 CB 1.277 15 residues pruned to eliminate duplicates Z: 13 5.722 1.704 0.194 0.317 0.833 0.500 CB 1.193 13 residues pruned to eliminate duplicates Z: 24 26.288 2.036 0.700 0.567 0.913 0.522 CA 1.626 24 residues pruned to eliminate duplicates Z: 8 8.680 1.584 0.588 0.825 1.000 0.857 CB 0.984 8 residues pruned to eliminate duplicates Z: 23 15.528 1.829 0.621 0.660 0.864 0.636 CB 1.114 22 residues pruned to eliminate duplicates Z: 14 5.391 1.613 0.433 0.304 0.692 0.308 CB 1.162 14 residues pruned to eliminate duplicates Z: 19 11.145 1.809 0.358 0.383 0.833 0.444 CB 1.454 19 residues pruned to eliminate duplicates Z: 8 8.113 1.645 0.582 0.495 1.000 0.714 CB 1.184 Z: 52 21.239 1.780 0.716 0.544 0.804 0.549 CB 1.160 52 residues pruned to eliminate duplicates Z: 11 13.670 1.841 0.915 0.552 0.900 0.600 N 1.295 11 residues pruned to eliminate duplicates Z: 20 14.497 1.723 0.252 0.840 0.947 0.737 CA 1.214 20 residues pruned to eliminate duplicates Z: 11 11.069 1.591 0.558 0.832 0.900 0.800 CB 1.178 11 residues pruned to eliminate duplicates Z: 10 5.359 1.674 0.313 0.460 0.778 0.556 CB 1.089 Z: 16 21.117 1.718 0.655 0.904 1.000 0.867 CB 1.366 16 residues pruned to eliminate duplicates Z: 47 26.707 1.760 0.711 0.622 0.935 0.457 CB 1.247 47 residues pruned to eliminate duplicates Z: 36 21.957 2.031 0.671 0.353 0.886 0.543 CB 1.447 33 residues pruned to eliminate duplicates Z: 11 7.378 1.643 0.639 0.642 0.900 0.600 CB 0.843 6 residues pruned to eliminate duplicates Z: 18 16.261 1.695 0.841 0.724 0.941 0.706 CB 1.097 18 residues pruned to eliminate duplicates Z: 13 21.183 2.000 0.812 0.888 0.917 0.750 CB 1.326 13 residues pruned to eliminate duplicates Z: 6 5.120 1.623 0.368 0.622 1.000 0.800 CB 0.919 Z: 6 3.398 1.647 0.799 0.509 0.800 0.400 CB 0.636 Z: 17 18.536 1.789 0.712 0.858 0.938 0.438 CB 1.189 17 residues pruned to eliminate duplicates Z: 16 25.099 2.008 0.707 0.826 1.000 0.800 CB 1.426 17 residues pruned to eliminate duplicates Z: 58 40.277 1.964 0.659 0.587 0.982 0.579 CA 1.534 56 residues pruned to eliminate duplicates Z: 9 14.799 1.852 0.720 0.836 1.000 0.875 CB 1.230 9 residues pruned to eliminate duplicates Z: 15 17.097 1.966 0.558 0.868 0.857 0.786 CB 1.272 15 residues pruned to eliminate duplicates Z: 13 20.450 1.856 0.973 0.661 0.917 0.750 CB 1.516 13 residues pruned to eliminate duplicates Z: 20 13.324 1.744 0.905 0.423 0.789 0.474 N 1.262 20 residues pruned to eliminate duplicates Z: 35 22.392 2.099 0.576 0.382 0.941 0.588 CB 1.399 35 residues pruned to eliminate duplicates Z: 13 16.985 1.710 0.873 0.901 1.000 0.750 CB 1.092 13 residues pruned to eliminate duplicates Z: 8 2.918 1.559 0.299 0.214 0.714 0.429 CB 1.067 Z: 24 27.056 1.873 0.706 0.750 0.957 0.739 CB 1.477 24 residues pruned to eliminate duplicates Z: 16 17.360 1.947 0.529 0.902 0.933 0.933 CB 1.150 16 residues pruned to eliminate duplicates Z: 10 5.370 1.220 0.409 0.655 0.889 0.444 CA 1.014 10 residues pruned to eliminate duplicates Z: 8 8.859 1.796 0.506 0.881 0.857 0.571 CB 1.046 8 residues pruned to eliminate duplicates Z: 20 21.618 1.841 0.565 0.801 0.947 0.684 CB 1.397 20 residues pruned to eliminate duplicates Z: 15 22.241 1.767 0.658 0.918 1.000 0.857 CA 1.431 15 residues pruned to eliminate duplicates Z: 8 4.773 1.798 -0.227 0.826 1.000 0.857 N 0.979 Z: 20 24.011 1.941 0.828 0.688 1.000 0.579 CB 1.306 20 residues pruned to eliminate duplicates Z: 16 19.712 1.828 0.595 0.918 1.000 0.667 CB 1.231 16 residues pruned to eliminate duplicates Z: 10 12.581 1.636 0.593 0.873 1.000 1.000 CA 1.172 10 residues pruned to eliminate duplicates Z: 19 20.598 1.854 0.505 0.897 1.000 0.833 CB 1.245 19 residues pruned to eliminate duplicates Z: 11 6.056 1.617 0.384 0.510 0.900 0.800 CB 0.942 9 residues pruned to eliminate duplicates Z: 21 23.181 1.930 0.660 0.852 0.950 0.800 CA 1.259 21 residues pruned to eliminate duplicates Z: 14 18.957 1.952 0.676 0.842 1.000 0.692 CB 1.197 15 residues pruned to eliminate duplicates Z: 8 3.989 1.596 0.153 0.426 0.857 0.571 CB 1.033 Z: 7 3.434 1.358 0.432 0.719 0.833 0.667 CA 0.710 7 residues pruned to eliminate duplicates Z: 7 5.384 1.438 0.392 0.518 1.000 0.667 N 1.078 Z: 11 17.872 1.915 0.594 0.741 0.900 0.800 O 1.658 Z: 19 11.100 1.897 0.490 0.410 0.833 0.667 CB 1.221 15 residues pruned to eliminate duplicates Z: 9 9.486 1.763 0.258 0.610 1.000 0.375 CA 1.363 Z: 9 22.502 1.960 0.943 0.740 1.000 0.875 CB 1.684 9 residues pruned to eliminate duplicates Z: 10 6.053 1.735 0.449 0.445 0.778 0.444 CB 1.092 10 residues pruned to eliminate duplicates Z: 15 8.782 1.461 0.432 0.790 0.929 0.786 CB 0.936 Z: 7 6.119 1.603 0.179 0.638 1.000 0.500 N 1.162 Z: 19 19.097 1.844 0.724 0.788 1.000 0.722 CB 1.099 19 residues pruned to eliminate duplicates Z: 19 27.052 1.958 0.917 0.895 0.944 0.556 CB 1.289 19 residues pruned to eliminate duplicates Z: 10 13.901 1.894 0.508 0.662 1.000 0.667 CB 1.397 10 residues pruned to eliminate duplicates Z: 14 19.852 2.012 0.421 0.911 0.923 0.846 CB 1.478 14 residues pruned to eliminate duplicates Z: 9 12.178 1.623 0.490 0.895 1.000 1.000 CB 1.276 7 residues pruned to eliminate duplicates Z: 10 4.254 1.583 0.372 0.168 0.778 0.444 CB 1.257 9 residues pruned to eliminate duplicates Z: 11 9.569 1.744 0.254 0.727 0.900 0.600 N 1.253 12 residues pruned to eliminate duplicates Z: 17 18.074 1.926 0.323 0.905 0.938 0.812 CB 1.347 17 residues pruned to eliminate duplicates Z: 12 6.230 1.657 0.437 0.394 0.727 0.455 N 1.214 Z: 9 9.625 1.729 0.576 0.506 1.000 0.500 CB 1.242 Z: 9 5.317 1.454 0.524 0.489 0.750 0.500 O 1.144 Z: 23 17.620 1.809 0.237 0.773 0.955 0.727 CB 1.381 23 residues pruned to eliminate duplicates Z: 14 12.558 1.669 0.832 0.578 0.923 0.692 N 1.146 14 residues pruned to eliminate duplicates Z: 6 6.328 1.629 0.453 0.649 0.800 0.600 CA 1.301 6 residues pruned to eliminate duplicates Z: 18 15.417 1.730 0.595 0.650 1.000 0.824 CB 1.179 18 residues pruned to eliminate duplicates Z: 13 5.833 1.666 0.431 0.309 0.833 0.333 CB 1.048 8 residues pruned to eliminate duplicates Z: 16 21.597 1.971 0.793 0.909 1.000 0.733 CB 1.120 24 residues pruned to eliminate duplicates Z: 27 12.097 1.774 0.526 0.457 0.923 0.500 CB 0.992 25 residues pruned to eliminate duplicates Z: 36 22.102 2.013 0.625 0.418 0.886 0.629 CB 1.404 36 residues pruned to eliminate duplicates Z: 16 8.776 1.696 0.552 0.382 0.800 0.600 CB 1.220 16 residues pruned to eliminate duplicates Z: 7 4.916 1.759 0.473 0.514 0.833 0.500 CB 0.917 7 residues pruned to eliminate duplicates Z: 16 9.560 1.827 0.316 0.304 0.933 0.467 CB 1.368 16 residues pruned to eliminate duplicates Z: 17 23.872 1.984 0.531 0.907 0.938 0.812 CB 1.489 17 residues pruned to eliminate duplicates Z: 10 13.850 1.819 0.615 0.622 1.000 0.667 N 1.401 10 residues pruned to eliminate duplicates Z: 17 16.431 1.934 0.335 0.895 1.000 0.938 CB 1.141 17 residues pruned to eliminate duplicates Z: 6 2.979 1.291 0.407 0.599 1.000 0.600 CB 0.668 5 residues pruned to eliminate duplicates Z: 6 5.954 1.479 0.670 0.714 1.000 1.000 CB 0.888 Z: 17 17.381 1.797 0.657 0.674 0.875 0.750 CB 1.421 13 residues pruned to eliminate duplicates Z: 9 5.214 1.631 0.352 0.255 0.875 0.375 N 1.265 9 residues pruned to eliminate duplicates Z: 14 17.901 1.893 0.733 0.887 0.923 0.692 CB 1.182 14 residues pruned to eliminate duplicates Z: 16 13.194 1.931 0.571 0.454 0.933 0.600 CB 1.261 16 residues pruned to eliminate duplicates Z: 17 15.642 1.861 0.386 0.859 1.000 1.000 CB 1.116 17 residues pruned to eliminate duplicates Z: 15 13.086 1.893 0.599 0.462 0.857 0.429 CA 1.400 15 residues pruned to eliminate duplicates Z: 13 24.922 1.983 0.975 0.779 0.917 0.833 CB 1.567 13 residues pruned to eliminate duplicates Z: 19 28.607 2.018 0.656 0.871 1.000 0.778 CB 1.472 19 residues pruned to eliminate duplicates Z: 8 16.626 1.850 0.837 0.872 1.000 0.857 CB 1.347 8 residues pruned to eliminate duplicates Z: 9 10.190 1.672 0.730 0.623 0.875 0.500 CB 1.268 5 residues pruned to eliminate duplicates Z: 20 16.987 1.902 0.695 0.448 0.895 0.737 CB 1.426 20 residues pruned to eliminate duplicates Z: 6 11.950 1.769 0.711 0.848 1.000 1.000 CB 1.310 6 residues pruned to eliminate duplicates Z: 9 15.352 1.581 0.854 0.906 1.000 0.375 CB 1.318 9 residues pruned to eliminate duplicates Z: 12 7.928 1.557 0.594 0.794 0.818 0.727 CB 0.909 12 residues pruned to eliminate duplicates Z: 14 4.479 1.543 0.362 0.333 0.769 0.462 CB 0.922 14 residues pruned to eliminate duplicates Z: 12 14.598 1.910 0.488 0.818 0.818 0.818 CA 1.437 12 residues pruned to eliminate duplicates Z: 9 4.675 1.617 0.215 0.407 0.750 0.625 N 1.236 Z: 38 25.666 2.093 0.656 0.372 0.919 0.703 CB 1.519 38 residues pruned to eliminate duplicates Z: 20 30.406 2.000 0.737 0.860 1.000 0.632 CA 1.476 20 residues pruned to eliminate duplicates Z: 21 9.000 1.666 0.436 0.289 0.950 0.450 CB 1.123 21 residues pruned to eliminate duplicates Z: 9 9.090 1.706 0.216 0.616 1.000 0.875 CA 1.388 9 residues pruned to eliminate duplicates Z: 8 11.783 1.685 0.370 0.869 1.000 1.000 CB 1.409 8 residues pruned to eliminate duplicates Z: 19 21.448 1.778 0.808 0.891 0.944 0.444 CB 1.197 19 residues pruned to eliminate duplicates Z: 8 10.993 1.886 0.588 0.876 1.000 0.857 CB 1.008 8 residues pruned to eliminate duplicates Z: 15 21.970 1.737 1.046 0.884 0.929 0.714 CA 1.285 15 residues pruned to eliminate duplicates Z: 6 6.021 1.928 0.021 0.731 1.000 0.600 CB 1.111 Z: 10 11.404 1.514 0.971 0.900 1.000 0.889 CB 0.910 10 residues pruned to eliminate duplicates Z: 8 6.793 1.904 0.547 0.298 0.857 0.714 CA 1.274 8 residues pruned to eliminate duplicates Z: 8 10.838 1.640 0.734 0.879 1.000 0.429 CB 1.045 8 residues pruned to eliminate duplicates Z: 7 4.450 1.427 0.257 0.660 0.833 0.500 N 1.047 Z: 21 10.936 1.649 0.403 0.509 0.900 0.800 CB 1.164 10 residues pruned to eliminate duplicates Z: 19 20.052 1.794 0.797 0.823 0.889 0.667 CB 1.247 19 residues pruned to eliminate duplicates Z: 11 11.376 1.539 0.576 0.903 1.000 0.900 CA 1.058 11 residues pruned to eliminate duplicates Z: 10 5.617 1.754 0.183 0.242 0.889 0.444 CB 1.368 10 residues pruned to eliminate duplicates Z: 62 30.370 1.819 0.773 0.590 0.918 0.623 CB 1.206 62 residues pruned to eliminate duplicates Z: 9 13.524 1.752 0.731 0.840 1.000 0.750 CB 1.177 9 residues pruned to eliminate duplicates Z: 14 19.109 1.829 0.606 0.726 1.000 0.615 N 1.472 14 residues pruned to eliminate duplicates Z: 32 20.191 1.746 0.817 0.665 0.903 0.387 CB 1.086 32 residues pruned to eliminate duplicates Z: 23 15.153 1.835 0.518 0.441 0.864 0.591 CB 1.427 27 residues pruned to eliminate duplicates Z: 11 5.161 1.757 -0.001 0.486 0.800 0.300 CB 1.179 Z: 7 3.144 1.443 0.309 0.325 0.833 0.500 CB 0.988 Z: 14 7.038 1.848 0.283 0.339 0.769 0.462 CB 1.276 14 residues pruned to eliminate duplicates Z: 7 6.966 1.830 0.725 0.603 0.833 0.667 CB 0.980 7 residues pruned to eliminate duplicates Z: 18 22.252 1.782 0.795 0.881 0.941 0.471 CB 1.298 18 residues pruned to eliminate duplicates Z: 15 19.452 1.933 0.461 0.735 1.000 0.714 N 1.490 7 residues pruned to eliminate duplicates Z: 16 24.775 1.767 0.886 0.924 1.000 0.600 CA 1.348 16 residues pruned to eliminate duplicates Z: 20 10.863 1.854 0.689 0.266 0.895 0.421 CB 1.161 15 residues pruned to eliminate duplicates Z: 7 11.316 1.707 0.697 0.864 1.000 1.000 CB 1.170 8 residues pruned to eliminate duplicates Z: 6 4.515 1.506 0.460 0.344 1.000 0.400 N 1.088 Z: 8 10.557 1.879 0.550 0.619 0.857 0.714 CA 1.428 8 residues pruned to eliminate duplicates Z: 6 7.120 1.912 0.032 0.783 1.000 0.800 CB 1.257 6 residues pruned to eliminate duplicates Z: 10 10.836 1.935 0.348 0.691 0.889 0.556 CB 1.308 10 residues pruned to eliminate duplicates Z: 13 5.454 1.575 0.159 0.528 0.917 0.750 CB 0.915 Z: 8 11.856 1.691 0.631 0.693 1.000 0.857 CB 1.362 8 residues pruned to eliminate duplicates Z: 21 16.464 2.051 0.631 0.422 0.850 0.650 CB 1.405 22 residues pruned to eliminate duplicates Z: 12 13.631 1.918 0.730 0.497 0.909 0.455 CB 1.366 12 residues pruned to eliminate duplicates Z: 15 28.467 2.016 0.869 0.743 1.000 0.786 CB 1.624 15 residues pruned to eliminate duplicates Z: 9 5.388 1.674 -0.226 0.818 1.000 0.875 N 1.115 Z: 9 2.985 1.430 0.254 0.371 0.750 0.625 CA 0.901 6 residues pruned to eliminate duplicates Z: 23 9.161 1.662 0.434 0.425 0.909 0.409 CB 0.975 24 residues pruned to eliminate duplicates Z: 16 17.348 1.935 0.321 0.919 1.000 0.867 CB 1.235 16 residues pruned to eliminate duplicates Z: 11 11.344 1.638 0.583 0.789 0.900 0.700 CB 1.193 11 residues pruned to eliminate duplicates Z: 27 20.008 2.127 0.531 0.412 0.885 0.654 CB 1.494 27 residues pruned to eliminate duplicates Z: 11 11.224 1.492 0.856 0.738 1.000 0.400 CB 1.036 11 residues pruned to eliminate duplicates Z: 15 14.525 1.824 0.699 0.529 0.857 0.643 CB 1.420 15 residues pruned to eliminate duplicates Z: 10 9.970 1.419 0.609 0.895 0.889 0.667 CB 1.173 9 residues pruned to eliminate duplicates Z: 11 5.658 1.401 0.502 0.427 0.900 0.700 CB 1.019 Z: 6 4.572 1.676 0.307 0.634 0.600 0.600 CA 1.372 6 residues pruned to eliminate duplicates Z: 20 12.058 1.573 0.483 0.487 0.947 0.579 CB 1.267 20 residues pruned to eliminate duplicates Z: 8 4.769 1.608 0.380 0.476 0.857 0.714 CB 0.971 8 residues pruned to eliminate duplicates Z: 20 22.976 1.803 0.663 0.860 0.947 0.632 CB 1.365 20 residues pruned to eliminate duplicates Z: 9 9.237 1.808 0.235 0.859 1.000 0.750 CB 1.076 10 residues pruned to eliminate duplicates Z: 67 31.492 2.000 0.608 0.453 0.909 0.652 CB 1.391 67 residues pruned to eliminate duplicates Z: 9 9.478 1.339 0.810 0.804 1.000 0.875 CB 1.060 8 residues pruned to eliminate duplicates Z: 13 6.941 1.567 0.510 0.374 0.833 0.583 CB 1.163 10 residues pruned to eliminate duplicates Z: 10 9.228 1.700 0.254 0.834 0.889 0.778 CB 1.217 10 residues pruned to eliminate duplicates Z: 14 14.989 1.656 0.819 0.883 1.000 0.615 CB 0.998 14 residues pruned to eliminate duplicates Z: 7 4.788 1.534 0.191 0.543 0.833 0.667 CB 1.231 7 residues pruned to eliminate duplicates Z: 7 8.311 1.513 0.482 0.876 1.000 0.667 CB 1.100 7 residues pruned to eliminate duplicates Z: 38 23.091 1.817 0.627 0.688 0.973 0.649 CB 1.111 31 residues pruned to eliminate duplicates Z: 32 24.308 1.885 0.801 0.674 0.935 0.677 CB 1.171 32 residues pruned to eliminate duplicates Z: 14 5.062 1.486 0.307 0.415 0.769 0.615 CB 1.027 9 residues pruned to eliminate duplicates Z: 8 8.906 1.735 0.393 0.902 1.000 0.857 CB 0.993 8 residues pruned to eliminate duplicates Z: 11 7.703 1.544 0.540 0.802 0.900 0.600 CB 0.875 11 residues pruned to eliminate duplicates Z: 34 13.880 1.913 0.370 0.335 0.818 0.485 CB 1.348 34 residues pruned to eliminate duplicates Z: 18 18.126 1.947 0.450 0.891 0.882 0.706 CB 1.269 18 residues pruned to eliminate duplicates Z: 8 3.377 1.640 0.259 0.211 0.714 0.571 O 1.218 Z: 7 3.367 1.618 -0.048 0.393 0.833 0.667 CB 1.199 Z: 10 3.911 1.575 0.264 0.369 0.667 0.556 CB 1.130 9 residues pruned to eliminate duplicates Z: 15 15.544 1.831 0.266 0.927 1.000 1.000 CA 1.256 15 residues pruned to eliminate duplicates Z: 21 5.349 1.429 0.497 0.352 0.700 0.400 CB 0.938 21 residues pruned to eliminate duplicates Z: 19 13.389 1.699 0.548 0.601 0.944 0.667 CB 1.153 21 residues pruned to eliminate duplicates Z: 21 19.795 1.732 0.624 0.853 0.950 0.800 CA 1.225 21 residues pruned to eliminate duplicates Z: 22 10.903 1.683 0.529 0.376 0.905 0.524 CB 1.166 22 residues pruned to eliminate duplicates Z: 32 27.437 1.932 0.744 0.657 0.935 0.710 CB 1.351 32 residues pruned to eliminate duplicates Z: 9 3.898 1.477 -0.027 0.472 0.875 0.375 CB 1.129 Z: 79 42.522 1.948 0.639 0.573 0.962 0.590 CB 1.463 79 residues pruned to eliminate duplicates Z: 9 7.844 1.636 0.623 0.484 0.875 0.625 CB 1.213 8 residues pruned to eliminate duplicates Z: 15 8.365 1.799 0.911 0.316 0.714 0.571 CA 1.116 15 residues pruned to eliminate duplicates Z: 16 15.638 1.941 0.424 0.863 1.000 0.800 CB 1.072 16 residues pruned to eliminate duplicates Z: 23 15.696 1.877 0.811 0.415 0.864 0.591 CB 1.246 35 residues pruned to eliminate duplicates Z: 20 12.468 1.865 0.267 0.478 0.842 0.474 CA 1.470 20 residues pruned to eliminate duplicates Z: 6 6.655 2.196 0.065 0.574 0.800 0.800 CA 1.481 6 residues pruned to eliminate duplicates Z: 16 19.722 1.869 0.446 0.913 1.000 0.933 CA 1.333 16 residues pruned to eliminate duplicates Z: 14 11.224 1.703 0.531 0.475 0.923 0.615 CB 1.327 14 residues pruned to eliminate duplicates Z: 7 5.671 1.414 0.272 0.814 1.000 0.667 CA 0.980 7 residues pruned to eliminate duplicates Z: 15 15.274 1.874 0.532 0.819 0.857 0.714 CB 1.257 15 residues pruned to eliminate duplicates Z: 10 8.950 1.839 0.318 0.480 0.889 0.556 CB 1.413 10 residues pruned to eliminate duplicates Z: 8 3.288 1.376 0.539 0.154 0.857 0.571 CA 1.047 Z: 12 11.490 1.729 0.631 0.551 0.818 0.636 CB 1.428 Z: 14 6.842 1.816 0.735 0.323 0.615 0.231 CA 1.189 14 residues pruned to eliminate duplicates Z: 7 7.921 1.798 0.394 0.377 1.000 0.500 N 1.471 6 1.289 1.155 0.437 0.288 1.000 0.600 N 0.441 ? Z: 10 5.476 1.624 0.193 0.483 0.889 0.556 CB 1.078 Z: 12 14.202 1.783 0.734 0.671 0.909 0.636 CA 1.301 12 residues pruned to eliminate duplicates Z: 8 5.090 1.600 0.353 0.410 0.857 0.857 CB 1.139 9 residues pruned to eliminate duplicates Z: 8 9.710 1.572 0.671 0.768 1.000 0.857 CB 1.102 8 residues pruned to eliminate duplicates 6 0.582 0.930 0.875 0.800 1.000 0.800 CB 0.115 ? Z: 6 7.463 1.673 0.479 0.795 1.000 0.800 CB 1.041 6 residues pruned to eliminate duplicates Z: 12 8.648 1.788 0.377 0.495 0.818 0.455 O 1.300 12 residues pruned to eliminate duplicates Z: 13 15.258 2.029 0.536 0.484 1.000 0.750 CA 1.436 13 residues pruned to eliminate duplicates Z: 14 8.799 1.610 0.448 0.504 0.846 0.692 CB 1.233 14 residues pruned to eliminate duplicates Z: 7 9.025 1.654 0.676 0.839 1.000 1.000 N 0.992 6 1.826 1.263 0.233 0.583 0.600 0.400 CB 0.807 ? Z: 17 19.762 1.885 0.350 0.913 1.000 0.875 CA 1.375 25 residues pruned to eliminate duplicates Z: 22 14.938 1.819 0.563 0.472 0.857 0.619 CB 1.376 26 residues pruned to eliminate duplicates Z: 16 20.426 1.978 0.639 0.867 1.000 0.800 CB 1.191 16 residues pruned to eliminate duplicates Z: 6 5.345 1.489 0.825 0.498 0.800 0.600 CB 1.102 Z: 12 9.969 1.588 0.922 0.699 0.909 0.818 CB 0.904 11 residues pruned to eliminate duplicates Z: 11 4.618 1.532 0.273 0.416 0.700 0.400 CB 1.168 11 residues pruned to eliminate duplicates Z: 18 15.414 1.840 0.267 0.879 1.000 0.824 CB 1.163 18 residues pruned to eliminate duplicates Z: 13 8.224 1.639 0.368 0.478 0.917 0.583 CB 1.180 13 residues pruned to eliminate duplicates Z: 31 28.633 1.936 0.593 0.744 0.933 0.767 CB 1.460 31 residues pruned to eliminate duplicates Z: 6 2.932 1.345 0.485 0.509 0.800 0.600 CB 0.813 Z: 12 17.467 1.989 0.710 0.852 0.818 0.727 CB 1.399 12 residues pruned to eliminate duplicates Z: 10 14.012 1.903 0.538 0.795 1.000 0.889 CB 1.232 11 residues pruned to eliminate duplicates Z: 11 7.004 1.564 0.459 0.494 0.900 0.700 CB 1.085 11 residues pruned to eliminate duplicates Z: 12 3.748 1.512 0.259 0.497 0.909 0.455 CB 0.655 Z: 27 16.328 1.715 0.582 0.571 0.885 0.654 CB 1.246 29 residues pruned to eliminate duplicates Z: 6 4.221 1.397 0.292 0.536 1.000 0.600 N 1.011 Z: 19 9.906 1.710 0.426 0.428 0.889 0.667 CB 1.160 9 residues pruned to eliminate duplicates Z: 11 13.326 1.976 0.484 0.558 1.000 0.600 CA 1.359 11 residues pruned to eliminate duplicates Z: 14 9.141 1.656 0.314 0.535 0.846 0.385 O 1.330 7 residues pruned to eliminate duplicates Z: 22 10.433 1.704 0.659 0.290 0.810 0.333 CB 1.260 22 residues pruned to eliminate duplicates Z: 8 5.536 1.828 -0.193 0.847 1.000 0.571 CB 1.053 Z: 16 10.121 1.881 0.284 0.311 0.867 0.533 CB 1.540 16 residues pruned to eliminate duplicates Z: 16 9.176 1.584 0.638 0.557 0.800 0.667 CB 1.080 31 residues pruned to eliminate duplicates Z: 7 2.629 1.411 0.649 0.392 0.667 0.333 CB 0.776 6 residues pruned to eliminate duplicates Z: 17 4.417 1.691 0.160 0.255 0.750 0.375 CB 0.994 15 residues pruned to eliminate duplicates Z: 24 14.373 1.825 0.450 0.514 0.870 0.478 CB 1.285 24 residues pruned to eliminate duplicates 6 1.979 1.503 0.688 0.287 0.800 0.600 CB 0.554 ? Z: 6 3.273 1.429 0.494 0.339 0.800 0.600 CB 1.021 Z: 15 22.429 1.929 0.959 0.922 0.929 0.643 CB 1.201 15 residues pruned to eliminate duplicates Z: 14 13.838 1.653 0.742 0.892 0.923 0.769 CB 1.037 14 residues pruned to eliminate duplicates Z: 16 7.982 1.749 0.400 0.483 0.867 0.533 CB 0.988 16 residues pruned to eliminate duplicates Z: 35 26.018 1.800 0.625 0.673 0.971 0.647 CB 1.340 36 residues pruned to eliminate duplicates Z: 11 7.006 1.888 0.033 0.735 1.000 0.900 CB 0.920 9 residues pruned to eliminate duplicates Z: 14 25.172 2.028 0.761 0.683 1.000 0.692 CB 1.652 14 residues pruned to eliminate duplicates Z: 9 4.422 1.354 0.446 0.473 1.000 0.500 CB 0.821 8 residues pruned to eliminate duplicates Z: 15 21.632 2.040 0.501 0.880 0.929 0.786 CB 1.473 14 residues pruned to eliminate duplicates Z: 13 6.219 1.426 0.552 0.397 0.750 0.333 N 1.206 Z: 7 3.317 1.687 0.144 0.509 0.667 0.500 CB 1.043 7 residues pruned to eliminate duplicates Z: 9 11.828 1.734 0.603 0.872 1.000 0.750 CB 1.096 9 residues pruned to eliminate duplicates Z: 8 5.691 1.611 0.532 0.715 1.000 0.429 CB 0.717 8 residues pruned to eliminate duplicates Z: 16 21.515 1.745 0.665 0.941 1.000 0.933 CA 1.326 16 residues pruned to eliminate duplicates Z: 9 4.984 1.579 0.378 0.490 0.750 0.500 CB 1.091 9 residues pruned to eliminate duplicates Z: 14 17.905 1.991 0.557 0.910 0.846 0.846 CB 1.343 14 residues pruned to eliminate duplicates Z: 17 6.746 1.596 0.377 0.594 0.812 0.625 CB 0.864 17 residues pruned to eliminate duplicates Z: 9 6.827 1.790 0.128 0.784 1.000 0.750 CB 0.931 20 residues pruned to eliminate duplicates Z: 7 2.779 1.716 -0.036 0.293 0.833 0.667 N 1.038 Z: 33 28.584 1.913 0.777 0.657 1.000 0.719 CB 1.285 33 residues pruned to eliminate duplicates Z: 12 4.263 1.697 0.052 0.471 0.909 0.455 CB 0.815 12 residues pruned to eliminate duplicates Z: 8 6.828 1.651 0.340 0.654 0.857 0.571 N 1.180 Z: 11 11.149 1.807 0.504 0.779 0.900 0.700 CB 1.127 11 residues pruned to eliminate duplicates Z: 10 4.663 1.538 0.163 0.409 0.889 0.667 CB 1.075 9 residues pruned to eliminate duplicates Z: 6 2.589 1.462 0.511 0.281 0.600 0.200 N 1.118 Z: 8 7.492 1.697 0.205 0.497 1.000 0.571 N 1.389 8 residues pruned to eliminate duplicates Z: 8 2.497 1.540 0.296 0.213 0.857 0.571 CB 0.774 Z: 12 5.135 1.494 0.514 0.264 0.818 0.455 O 1.095 12 residues pruned to eliminate duplicates Z: 11 22.120 1.945 0.896 0.881 0.900 0.800 CA 1.527 11 residues pruned to eliminate duplicates Z: 40 31.104 1.978 0.760 0.623 0.949 0.590 CB 1.343 40 residues pruned to eliminate duplicates Z: 15 12.991 1.671 0.421 0.906 1.000 0.857 CB 1.039 15 residues pruned to eliminate duplicates Z: 12 4.978 1.538 0.200 0.418 0.909 0.455 CB 0.975 12 residues pruned to eliminate duplicates Z: 13 14.832 1.920 0.410 0.819 1.000 0.750 CB 1.200 13 residues pruned to eliminate duplicates 6 1.448 1.594 0.196 0.590 0.800 0.600 CB 0.389 ? Z: 27 17.558 1.984 0.681 0.332 0.923 0.615 CB 1.344 27 residues pruned to eliminate duplicates Z: 15 9.754 1.749 0.463 0.351 0.929 0.714 CB 1.289 15 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 17 22.830 1.850 0.871 0.713 1.000 0.750 CB 1.359 17 residues pruned to eliminate duplicates Z: 14 28.279 2.052 0.940 0.743 1.000 0.769 CB 1.586 14 residues pruned to eliminate duplicates Z: 15 23.012 2.035 0.881 0.774 0.857 0.786 CB 1.472 15 residues pruned to eliminate duplicates Z: 16 28.791 2.022 0.961 0.758 1.000 0.800 CB 1.490 16 residues pruned to eliminate duplicates Z: 13 24.863 1.979 1.099 0.767 0.917 0.750 CA 1.487 13 residues pruned to eliminate duplicates Z: 23 20.122 1.892 0.849 0.655 0.909 0.682 CB 1.168 23 residues pruned to eliminate duplicates Z: 23 16.772 1.843 0.721 0.637 0.864 0.636 CB 1.148 23 residues pruned to eliminate duplicates Z: 15 29.534 2.053 0.841 0.754 1.000 0.857 N 1.665 15 residues pruned to eliminate duplicates Z: 6 3.917 1.472 0.439 0.397 0.800 0.600 N 1.152 6 residues pruned to eliminate duplicates Z: 15 24.964 2.028 0.668 0.688 1.000 0.643 CA 1.661 15 residues pruned to eliminate duplicates Z: 15 13.401 1.930 0.373 0.793 0.857 0.786 CB 1.220 15 residues pruned to eliminate duplicates Z: 13 14.832 1.977 0.389 0.812 1.000 0.750 CB 1.188 13 residues pruned to eliminate duplicates Z: 12 23.135 2.039 0.934 0.906 1.000 0.909 CB 1.259 12 residues pruned to eliminate duplicates Z: 15 19.425 1.977 0.473 0.915 1.000 0.929 CB 1.259 15 residues pruned to eliminate duplicates Z: 13 20.079 2.044 0.713 0.901 0.917 0.667 CB 1.289 13 residues pruned to eliminate duplicates Z: 14 20.372 2.007 0.570 0.859 1.000 0.769 CB 1.320 14 residues pruned to eliminate duplicates Z: 16 20.547 1.891 0.746 0.847 0.933 0.800 CB 1.278 16 residues pruned to eliminate duplicates Z: 14 20.015 2.022 0.588 0.923 0.923 0.769 CB 1.316 14 residues pruned to eliminate duplicates Z: 14 24.415 2.023 0.861 0.926 1.000 0.769 CB 1.261 15 residues pruned to eliminate duplicates Z: 15 23.756 1.965 0.881 0.928 0.929 0.786 CB 1.296 15 residues pruned to eliminate duplicates Z: 15 22.069 1.954 0.690 0.924 1.000 0.786 CB 1.254 15 residues pruned to eliminate duplicates Z: 15 24.336 1.980 0.882 0.915 1.000 0.929 CB 1.233 14 residues pruned to eliminate duplicates Z: 15 20.833 1.938 0.732 0.910 0.929 0.786 CB 1.267 15 residues pruned to eliminate duplicates Z: 6 6.893 1.683 0.188 0.583 1.000 0.600 N 1.424 Z: 9 11.379 1.618 0.484 0.787 1.000 0.750 N 1.302 8 residues pruned to eliminate duplicates Z: 9 13.736 1.636 0.547 0.877 1.000 0.875 CA 1.393 10 residues pruned to eliminate duplicates Z: 8 13.986 1.687 0.686 0.861 1.000 0.857 CA 1.366 8 residues pruned to eliminate duplicates Z: 11 8.167 1.555 0.361 0.588 0.900 0.600 CB 1.246 11 residues pruned to eliminate duplicates Z: 12 9.329 1.623 0.492 0.672 1.000 0.727 CB 0.991 12 residues pruned to eliminate duplicates Z: 9 11.129 1.720 0.572 0.752 0.875 0.750 CA 1.328 9 residues pruned to eliminate duplicates Z: 13 9.343 1.764 0.583 0.539 0.833 0.583 CB 1.116 13 residues pruned to eliminate duplicates Z: 13 19.226 1.821 0.673 0.861 0.917 0.917 CA 1.461 13 residues pruned to eliminate duplicates Z: 9 14.017 1.728 0.892 0.762 1.000 0.875 CA 1.201 9 residues pruned to eliminate duplicates Z: 15 23.890 1.832 0.730 0.929 1.000 0.857 CA 1.410 15 residues pruned to eliminate duplicates Z: 15 20.225 1.788 0.667 0.771 1.000 0.857 CA 1.427 15 residues pruned to eliminate duplicates Z: 15 23.364 1.812 0.684 0.913 1.000 0.857 CB 1.448 15 residues pruned to eliminate duplicates Z: 16 21.719 1.740 0.639 0.931 1.000 0.800 CB 1.374 16 residues pruned to eliminate duplicates Z: 15 22.764 1.805 0.729 0.907 1.000 0.643 CB 1.387 15 residues pruned to eliminate duplicates Z: 15 25.277 1.802 0.825 0.900 1.000 0.786 CA 1.467 15 residues pruned to eliminate duplicates Z: 15 26.457 1.830 0.899 0.922 1.000 0.786 CB 1.431 16 residues pruned to eliminate duplicates Z: 15 24.717 1.796 0.934 0.914 1.000 0.500 CA 1.345 15 residues pruned to eliminate duplicates Z: 15 27.967 1.824 1.002 0.916 1.000 0.429 CA 1.446 15 residues pruned to eliminate duplicates Z: 16 20.368 1.748 0.620 0.850 1.000 0.867 CA 1.376 16 residues pruned to eliminate duplicates Z: 16 18.738 1.831 0.747 0.745 0.933 0.800 CA 1.302 16 residues pruned to eliminate duplicates Z: 14 14.936 1.931 0.243 0.840 1.000 0.692 CA 1.289 14 residues pruned to eliminate duplicates Z: 14 19.320 1.907 0.737 0.782 0.923 0.769 CA 1.367 14 residues pruned to eliminate duplicates Z: 16 20.417 1.856 0.816 0.711 0.867 0.733 CA 1.490 16 residues pruned to eliminate duplicates Z: 15 22.095 1.908 0.893 0.717 0.929 0.714 CA 1.447 15 residues pruned to eliminate duplicates Z: 34 27.867 1.895 0.706 0.612 0.939 0.636 CB 1.436 34 residues pruned to eliminate duplicates Z: 36 30.774 1.937 0.631 0.712 0.914 0.714 CB 1.486 36 residues pruned to eliminate duplicates Z: 15 23.091 1.918 0.929 0.722 0.929 0.500 CA 1.470 15 residues pruned to eliminate duplicates Z: 38 31.597 1.901 0.829 0.705 0.919 0.514 CB 1.350 38 residues pruned to eliminate duplicates Z: 14 22.459 1.924 0.874 0.775 0.923 0.462 CB 1.469 14 residues pruned to eliminate duplicates Z: 17 26.989 1.890 0.936 0.915 0.938 0.562 CB 1.391 17 residues pruned to eliminate duplicates Z: 37 34.071 1.899 0.839 0.735 0.972 0.583 CB 1.354 37 residues pruned to eliminate duplicates Z: 33 27.687 1.898 0.813 0.645 1.000 0.594 CB 1.242 33 residues pruned to eliminate duplicates Z: 38 30.652 1.844 0.873 0.671 0.919 0.649 CB 1.357 38 residues pruned to eliminate duplicates Z: 39 28.158 1.873 0.809 0.679 0.895 0.632 CB 1.278 39 residues pruned to eliminate duplicates Z: 37 33.343 1.872 0.932 0.765 0.944 0.583 CB 1.286 37 residues pruned to eliminate duplicates Z: 33 32.532 1.941 0.909 0.673 0.938 0.594 CB 1.411 33 residues pruned to eliminate duplicates Z: 42 29.381 1.838 0.779 0.638 0.927 0.610 CB 1.330 42 residues pruned to eliminate duplicates Z: 34 26.783 1.923 0.681 0.639 0.909 0.697 CB 1.393 34 residues pruned to eliminate duplicates Z: 37 27.557 1.907 0.732 0.684 0.917 0.667 CB 1.282 37 residues pruned to eliminate duplicates Z: 38 32.638 1.936 0.790 0.747 0.946 0.676 CB 1.313 38 residues pruned to eliminate duplicates Z: 32 33.102 1.950 0.866 0.696 0.968 0.774 CB 1.412 32 residues pruned to eliminate duplicates Z: 35 27.903 1.934 0.663 0.649 0.912 0.647 CB 1.420 35 residues pruned to eliminate duplicates Z: 37 36.264 1.901 0.851 0.717 1.000 0.722 CB 1.412 37 residues pruned to eliminate duplicates Z: 39 32.224 1.916 0.712 0.727 0.947 0.711 CB 1.371 39 residues pruned to eliminate duplicates Z: 37 31.595 1.952 0.746 0.725 0.944 0.639 CB 1.335 37 residues pruned to eliminate duplicates Z: 34 29.378 1.911 0.857 0.690 0.909 0.667 CB 1.332 34 residues pruned to eliminate duplicates Z: 37 33.156 1.893 0.709 0.731 1.000 0.639 CB 1.387 37 residues pruned to eliminate duplicates Z: 41 30.414 1.859 0.769 0.671 0.925 0.725 CB 1.349 41 residues pruned to eliminate duplicates Z: 43 31.605 1.806 0.842 0.681 0.952 0.643 CB 1.303 43 residues pruned to eliminate duplicates Z: 30 23.692 1.865 0.741 0.589 0.897 0.621 CB 1.388 30 residues pruned to eliminate duplicates Z: 34 25.200 1.903 0.671 0.627 0.879 0.697 CB 1.392 34 residues pruned to eliminate duplicates Z: 38 32.395 1.897 0.773 0.707 0.973 0.757 CB 1.349 38 residues pruned to eliminate duplicates Z: 6 4.239 1.345 0.820 0.474 0.800 0.600 CA 0.994 6 residues pruned to eliminate duplicates Z: 13 20.523 1.915 0.758 0.665 1.000 0.750 CB 1.510 14 residues pruned to eliminate duplicates Z: 6 2.033 1.383 0.351 0.290 0.800 0.600 N 0.770 6 residues pruned to eliminate duplicates Z: 18 10.782 1.783 0.473 0.414 0.824 0.471 CB 1.323 18 residues pruned to eliminate duplicates Z: 14 19.520 1.863 1.066 0.576 0.923 0.615 CB 1.417 14 residues pruned to eliminate duplicates Z: 19 12.652 1.763 0.651 0.471 0.833 0.444 CB 1.266 19 residues pruned to eliminate duplicates Z: 20 18.349 1.802 0.937 0.568 0.895 0.526 CB 1.263 20 residues pruned to eliminate duplicates Z: 11 13.758 1.679 0.526 0.806 0.900 0.800 CA 1.445 11 residues pruned to eliminate duplicates Z: 19 13.173 1.759 0.631 0.577 0.889 0.611 CB 1.130 19 residues pruned to eliminate duplicates Z: 10 12.815 1.765 0.629 0.792 0.778 0.667 CA 1.479 10 residues pruned to eliminate duplicates Z: 14 10.062 1.764 0.485 0.506 0.923 0.615 CB 1.146 14 residues pruned to eliminate duplicates Z: 27 13.294 1.781 0.300 0.483 0.808 0.385 CB 1.419 21 residues pruned to eliminate duplicates Z: 9 16.097 1.866 0.604 0.786 1.000 0.625 CB 1.479 9 residues pruned to eliminate duplicates Z: 16 12.191 1.785 0.482 0.611 0.867 0.667 CB 1.235 16 residues pruned to eliminate duplicates Z: 21 15.832 1.801 0.661 0.614 0.900 0.650 CB 1.180 30 residues pruned to eliminate duplicates Z: 18 14.103 1.684 0.604 0.545 0.941 0.765 N 1.288 18 residues pruned to eliminate duplicates Z: 23 13.682 1.746 0.524 0.595 0.773 0.591 CB 1.295 29 residues pruned to eliminate duplicates Z: 13 14.296 1.815 0.769 0.707 0.833 0.750 CA 1.279 13 residues pruned to eliminate duplicates Z: 12 14.339 1.830 0.819 0.675 0.818 0.636 CB 1.352 12 residues pruned to eliminate duplicates Z: 13 17.937 1.908 0.848 0.717 0.917 0.917 CB 1.316 13 residues pruned to eliminate duplicates Z: 12 8.972 1.701 0.755 0.511 0.727 0.545 CB 1.232 12 residues pruned to eliminate duplicates Z: 16 20.995 1.864 0.922 0.656 0.933 0.600 CB 1.402 24 residues pruned to eliminate duplicates Z: 6 2.988 1.479 0.511 0.423 0.800 0.600 CB 0.810 6 residues pruned to eliminate duplicates Z: 16 20.102 1.864 0.853 0.758 0.933 0.667 CB 1.280 16 residues pruned to eliminate duplicates Z: 10 3.544 1.508 0.236 0.269 0.889 0.444 CB 0.928 4 residues pruned to eliminate duplicates Z: 14 18.273 1.927 0.678 0.685 1.000 0.615 CB 1.323 14 residues pruned to eliminate duplicates Z: 9 5.417 1.660 0.305 0.372 0.875 0.375 CB 1.159 9 residues pruned to eliminate duplicates 6 1.642 1.524 0.777 0.214 0.800 0.400 CA 0.475 ? Z: 11 8.918 1.614 0.518 0.557 0.900 0.500 CA 1.210 26 residues pruned to eliminate duplicates Z: 7 5.700 1.581 0.640 0.393 0.833 0.500 N 1.205 Z: 6 7.197 1.629 0.600 0.593 1.000 0.600 CA 1.130 Z: 7 7.550 1.768 0.513 0.516 0.833 0.500 CB 1.361 20 residues pruned to eliminate duplicates Z: 10 8.601 1.817 0.682 0.455 0.889 0.889 CB 1.105 10 residues pruned to eliminate duplicates 6 1.339 1.707 0.173 0.343 0.600 0.200 CB 0.591 ? Z: 8 9.420 1.760 0.392 0.709 1.000 0.571 CA 1.202 8 residues pruned to eliminate duplicates Z: 43 16.767 1.868 0.556 0.406 0.810 0.357 CB 1.213 42 residues pruned to eliminate duplicates Z: 9 10.003 1.693 0.277 0.859 1.000 0.500 CA 1.204 9 residues pruned to eliminate duplicates Z: 13 10.503 1.765 0.431 0.502 1.000 0.333 N 1.198 13 residues pruned to eliminate duplicates Z: 14 13.455 1.846 0.654 0.579 0.923 0.308 CB 1.227 14 residues pruned to eliminate duplicates Z: 14 15.749 1.742 0.655 0.704 1.000 0.692 CB 1.259 15 residues pruned to eliminate duplicates Z: 9 16.474 1.768 0.979 0.895 1.000 0.875 CB 1.193 9 residues pruned to eliminate duplicates Z: 10 16.291 1.671 0.958 0.890 1.000 0.667 CA 1.193 10 residues pruned to eliminate duplicates Z: 10 10.209 1.595 0.769 0.887 0.889 0.556 CB 0.978 9 residues pruned to eliminate duplicates Z: 20 21.032 1.838 0.457 0.849 0.947 0.684 CB 1.411 20 residues pruned to eliminate duplicates Z: 13 15.162 2.020 0.418 0.717 0.917 0.583 CB 1.370 13 residues pruned to eliminate duplicates Z: 35 23.882 1.876 0.565 0.609 0.882 0.676 CB 1.425 35 residues pruned to eliminate duplicates Z: 29 20.874 1.866 0.674 0.571 0.857 0.500 CB 1.375 29 residues pruned to eliminate duplicates Z: 36 21.358 1.865 0.528 0.584 0.886 0.714 CB 1.320 36 residues pruned to eliminate duplicates Z: 63 29.105 1.964 0.570 0.427 0.903 0.597 CB 1.432 63 residues pruned to eliminate duplicates Z: 30 22.269 1.891 0.518 0.609 0.931 0.621 CB 1.395 30 residues pruned to eliminate duplicates Z: 37 22.915 1.889 0.533 0.577 0.917 0.694 CB 1.336 37 residues pruned to eliminate duplicates Z: 42 19.479 1.857 0.385 0.505 0.927 0.585 CB 1.271 42 residues pruned to eliminate duplicates Z: 76 30.601 1.981 0.504 0.463 0.853 0.587 CB 1.444 76 residues pruned to eliminate duplicates Z: 21 22.909 1.993 0.498 0.766 0.900 0.700 CB 1.506 21 residues pruned to eliminate duplicates Z: 26 20.465 1.820 0.449 0.731 0.960 0.600 CB 1.314 34 residues pruned to eliminate duplicates Z: 18 21.739 1.981 0.502 0.831 0.941 0.588 CA 1.414 18 residues pruned to eliminate duplicates Z: 52 24.456 1.905 0.450 0.484 0.941 0.549 CB 1.339 52 residues pruned to eliminate duplicates Z: 36 19.566 1.863 0.393 0.504 0.914 0.543 CB 1.389 36 residues pruned to eliminate duplicates Z: 78 33.501 1.993 0.563 0.450 0.909 0.519 CB 1.418 78 residues pruned to eliminate duplicates Z: 50 25.650 1.905 0.588 0.529 0.918 0.551 CB 1.281 50 residues pruned to eliminate duplicates Z: 32 25.130 1.940 0.602 0.598 0.935 0.581 CB 1.415 32 residues pruned to eliminate duplicates Z: 33 26.586 1.922 0.602 0.617 0.969 0.719 CB 1.411 33 residues pruned to eliminate duplicates Z: 33 24.564 1.933 0.536 0.614 0.938 0.562 CB 1.400 33 residues pruned to eliminate duplicates Z: 35 24.467 1.932 0.529 0.567 0.941 0.588 CB 1.414 35 residues pruned to eliminate duplicates Z: 33 24.819 1.915 0.519 0.593 0.969 0.562 CB 1.425 33 residues pruned to eliminate duplicates Z: 33 25.613 1.926 0.637 0.603 0.906 0.562 CB 1.437 33 residues pruned to eliminate duplicates Z: 51 24.742 1.901 0.587 0.506 0.900 0.620 CB 1.281 51 residues pruned to eliminate duplicates Z: 84 32.873 1.969 0.597 0.430 0.904 0.627 CB 1.365 90 residues pruned to eliminate duplicates Z: 72 25.677 1.986 0.471 0.406 0.859 0.563 CB 1.339 72 residues pruned to eliminate duplicates Z: 81 35.471 2.010 0.573 0.446 0.925 0.600 CB 1.433 81 residues pruned to eliminate duplicates Z: 70 32.464 1.993 0.522 0.458 0.928 0.725 CB 1.450 70 residues pruned to eliminate duplicates Z: 36 26.065 1.918 0.509 0.580 0.943 0.571 CB 1.495 36 residues pruned to eliminate duplicates Z: 67 31.436 1.976 0.573 0.474 0.924 0.652 CB 1.383 67 residues pruned to eliminate duplicates Z: 72 34.299 2.007 0.568 0.435 0.944 0.535 CB 1.466 72 residues pruned to eliminate duplicates Z: 55 30.739 1.955 0.641 0.490 0.963 0.593 CB 1.368 55 residues pruned to eliminate duplicates Z: 27 13.754 1.883 0.755 0.349 0.846 0.500 CB 1.137 27 residues pruned to eliminate duplicates Z: 17 15.254 1.938 0.777 0.430 0.938 0.625 CB 1.269 17 residues pruned to eliminate duplicates Z: 18 11.317 1.791 0.674 0.352 0.824 0.647 CB 1.304 18 residues pruned to eliminate duplicates Z: 41 23.694 1.868 0.538 0.494 0.950 0.575 CB 1.380 41 residues pruned to eliminate duplicates Z: 49 29.281 1.915 0.622 0.520 0.958 0.521 CB 1.393 49 residues pruned to eliminate duplicates Z: 37 20.622 2.063 0.575 0.301 0.889 0.472 CB 1.485 37 residues pruned to eliminate duplicates Z: 42 22.072 2.049 0.541 0.333 0.927 0.610 CB 1.415 42 residues pruned to eliminate duplicates Z: 51 29.629 1.938 0.620 0.525 0.960 0.560 CB 1.356 51 residues pruned to eliminate duplicates Z: 76 30.981 1.962 0.573 0.492 0.907 0.627 CB 1.289 76 residues pruned to eliminate duplicates Z: 53 27.663 1.884 0.580 0.509 0.923 0.481 CB 1.384 53 residues pruned to eliminate duplicates Z: 52 27.001 1.916 0.629 0.470 0.922 0.510 CB 1.355 52 residues pruned to eliminate duplicates Z: 50 19.390 2.036 0.423 0.284 0.918 0.490 CB 1.329 50 residues pruned to eliminate duplicates Z: 42 22.147 2.053 0.638 0.313 0.878 0.610 CB 1.441 42 residues pruned to eliminate duplicates Z: 42 24.034 2.091 0.546 0.326 0.976 0.537 CB 1.442 42 residues pruned to eliminate duplicates Z: 49 22.336 2.071 0.555 0.333 0.854 0.604 CB 1.407 49 residues pruned to eliminate duplicates Z: 46 24.896 2.084 0.628 0.348 0.911 0.578 CB 1.416 46 residues pruned to eliminate duplicates Z: 75 35.868 2.019 0.613 0.435 0.946 0.608 CB 1.446 77 residues pruned to eliminate duplicates Z: 8 9.397 1.837 0.530 0.468 0.857 0.571 CB 1.523 8 residues pruned to eliminate duplicates Z: 80 36.411 2.003 0.648 0.442 0.924 0.532 CB 1.426 81 residues pruned to eliminate duplicates Z: 6 8.970 2.005 0.887 0.458 1.000 0.400 CA 1.106 6 residues pruned to eliminate duplicates Z: 79 33.309 2.011 0.532 0.447 0.923 0.692 CB 1.400 78 residues pruned to eliminate duplicates Z: 9 4.078 1.544 0.536 0.431 0.625 0.250 N 1.045 9 residues pruned to eliminate duplicates Z: 45 21.679 2.072 0.517 0.318 0.886 0.568 CB 1.433 45 residues pruned to eliminate duplicates Z: 85 32.536 1.938 0.580 0.423 0.881 0.619 CB 1.426 80 residues pruned to eliminate duplicates Z: 7 7.055 1.488 1.064 0.541 1.000 0.333 N 0.901 7 residues pruned to eliminate duplicates Z: 77 33.066 2.000 0.609 0.434 0.921 0.592 CB 1.371 77 residues pruned to eliminate duplicates Z: 74 35.169 2.035 0.554 0.473 0.918 0.644 CB 1.458 74 residues pruned to eliminate duplicates Z: 42 26.224 2.109 0.681 0.348 0.951 0.707 CB 1.432 42 residues pruned to eliminate duplicates Z: 15 9.359 2.087 0.132 0.405 0.857 0.500 CA 1.365 15 residues pruned to eliminate duplicates Z: 13 10.271 1.898 0.301 0.349 1.000 0.667 CA 1.414 13 residues pruned to eliminate duplicates Z: 42 23.924 2.054 0.616 0.333 0.951 0.585 CB 1.421 42 residues pruned to eliminate duplicates Z: 13 9.481 1.912 0.299 0.343 1.000 0.583 CA 1.307 13 residues pruned to eliminate duplicates Z: 73 33.279 1.994 0.546 0.454 0.944 0.708 CB 1.412 73 residues pruned to eliminate duplicates Z: 93 35.712 1.934 0.606 0.458 0.891 0.565 CB 1.403 93 residues pruned to eliminate duplicates Z: 45 17.997 1.975 0.616 0.350 0.818 0.477 CB 1.222 45 residues pruned to eliminate duplicates Z: 89 34.934 1.965 0.627 0.442 0.898 0.534 CB 1.378 89 residues pruned to eliminate duplicates Z: 37 20.293 1.937 0.684 0.436 0.889 0.611 CB 1.246 37 residues pruned to eliminate duplicates Z: 103 37.022 1.957 0.647 0.456 0.892 0.627 CB 1.334 103 residues pruned to eliminate duplicates Z: 50 26.736 2.037 0.812 0.348 0.898 0.592 CB 1.360 50 residues pruned to eliminate duplicates Z: 87 33.392 1.957 0.671 0.432 0.860 0.581 CB 1.372 87 residues pruned to eliminate duplicates Z: 19 9.285 1.911 0.494 0.305 0.722 0.500 CA 1.319 19 residues pruned to eliminate duplicates Z: 8 4.191 1.780 0.025 0.169 0.857 0.571 CB 1.514 8 residues pruned to eliminate duplicates Z: 28 13.666 1.751 0.361 0.532 0.963 0.519 CB 1.111 28 residues pruned to eliminate duplicates Z: 28 15.514 1.812 0.522 0.528 0.963 0.667 CA 1.094 28 residues pruned to eliminate duplicates Z: 29 18.475 1.845 0.516 0.537 0.964 0.786 CB 1.247 29 residues pruned to eliminate duplicates Z: 18 15.099 1.834 0.415 0.651 0.941 0.765 CA 1.302 18 residues pruned to eliminate duplicates Z: 18 16.105 1.760 0.521 0.709 0.941 0.706 CB 1.282 18 residues pruned to eliminate duplicates Z: 17 14.687 1.844 0.482 0.657 0.938 0.688 CB 1.239 17 residues pruned to eliminate duplicates Z: 16 13.180 1.795 0.535 0.613 0.867 0.733 CA 1.280 16 residues pruned to eliminate duplicates Z: 39 23.847 1.862 0.636 0.605 0.947 0.579 CB 1.213 39 residues pruned to eliminate duplicates Z: 26 24.822 1.801 0.687 0.768 1.000 0.800 CB 1.289 26 residues pruned to eliminate duplicates Z: 37 21.612 1.821 0.660 0.579 0.889 0.583 CB 1.242 37 residues pruned to eliminate duplicates Z: 25 21.697 1.821 0.556 0.786 1.000 0.833 CB 1.215 25 residues pruned to eliminate duplicates Z: 18 15.042 1.840 0.760 0.581 0.882 0.294 CB 1.181 18 residues pruned to eliminate duplicates Z: 55 24.704 1.814 0.544 0.519 0.907 0.630 CB 1.299 55 residues pruned to eliminate duplicates Z: 60 29.021 1.816 0.682 0.541 0.932 0.627 CB 1.274 63 residues pruned to eliminate duplicates Z: 20 21.367 1.761 0.683 0.851 0.947 0.684 CA 1.292 20 residues pruned to eliminate duplicates Z: 25 21.975 1.836 0.665 0.783 0.917 0.750 CB 1.248 25 residues pruned to eliminate duplicates Z: 38 25.880 1.843 0.696 0.646 0.946 0.568 CB 1.256 38 residues pruned to eliminate duplicates Z: 41 21.533 1.812 0.576 0.575 0.925 0.550 CB 1.199 41 residues pruned to eliminate duplicates Z: 53 21.968 1.803 0.570 0.504 0.904 0.654 CB 1.186 53 residues pruned to eliminate duplicates Z: 26 17.739 1.797 0.719 0.732 0.800 0.520 CB 1.165 26 residues pruned to eliminate duplicates Z: 45 21.081 1.764 0.709 0.551 0.909 0.568 CB 1.103 45 residues pruned to eliminate duplicates Z: 37 24.456 1.845 0.702 0.672 0.917 0.583 CB 1.208 37 residues pruned to eliminate duplicates Z: 36 22.426 1.841 0.674 0.649 0.886 0.629 CB 1.209 36 residues pruned to eliminate duplicates Z: 26 17.699 1.805 0.671 0.736 0.880 0.720 CB 1.079 26 residues pruned to eliminate duplicates Z: 44 23.118 1.824 0.641 0.571 0.907 0.605 CB 1.212 44 residues pruned to eliminate duplicates Z: 35 20.076 1.795 0.814 0.580 0.824 0.618 CB 1.189 35 residues pruned to eliminate duplicates Z: 51 25.241 1.795 0.687 0.602 0.900 0.500 CB 1.188 51 residues pruned to eliminate duplicates Z: 11 4.076 1.654 0.221 0.142 0.900 0.500 CB 1.104 11 residues pruned to eliminate duplicates Z: 36 24.676 1.824 0.842 0.649 0.914 0.600 CB 1.181 36 residues pruned to eliminate duplicates Z: 50 21.151 1.800 0.769 0.534 0.816 0.469 CB 1.124 52 residues pruned to eliminate duplicates Z: 7 4.828 1.323 0.788 0.315 1.000 0.667 C 1.022 7 residues pruned to eliminate duplicates Z: 9 12.376 1.645 0.611 0.733 1.000 0.750 CA 1.340 9 residues pruned to eliminate duplicates Z: 38 27.409 1.802 0.835 0.708 0.919 0.676 CB 1.227 38 residues pruned to eliminate duplicates Z: 10 11.448 1.882 0.418 0.552 1.000 0.333 N 1.360 10 residues pruned to eliminate duplicates Z: 10 11.992 1.818 0.397 0.577 1.000 0.333 CA 1.462 10 residues pruned to eliminate duplicates Z: 8 12.169 1.864 0.525 0.622 1.000 0.714 CB 1.442 8 residues pruned to eliminate duplicates Z: 12 14.369 1.784 0.738 0.689 0.909 0.818 CB 1.293 12 residues pruned to eliminate duplicates Z: 20 16.969 1.812 0.635 0.524 1.000 0.579 N 1.284 20 residues pruned to eliminate duplicates Z: 16 27.057 1.891 0.786 0.842 1.000 0.933 N 1.541 16 residues pruned to eliminate duplicates Z: 10 17.210 1.916 0.867 0.631 0.889 0.667 CB 1.595 10 residues pruned to eliminate duplicates Z: 12 22.159 1.953 0.804 0.696 1.000 0.727 N 1.585 12 residues pruned to eliminate duplicates Z: 17 16.994 1.863 0.656 0.572 0.875 0.688 N 1.468 17 residues pruned to eliminate duplicates Z: 24 12.869 1.733 0.628 0.404 0.826 0.522 CB 1.274 24 residues pruned to eliminate duplicates Z: 11 9.403 1.858 0.325 0.504 0.900 0.300 N 1.336 11 residues pruned to eliminate duplicates Z: 9 12.469 1.926 0.788 0.513 0.875 0.500 N 1.444 Z: 6 2.441 1.337 0.827 0.310 1.000 0.600 N 0.551 6 residues pruned to eliminate duplicates Z: 12 10.462 1.767 0.458 0.533 0.909 0.545 CB 1.304 19 residues pruned to eliminate duplicates Z: 6 4.992 1.472 0.433 0.448 1.000 0.600 CB 1.116 Z: 6 3.254 1.294 0.508 0.384 1.000 0.600 CA 0.844 6 1.445 1.323 0.342 0.426 0.800 0.000 O 0.492 ? Z: 6 4.419 1.407 0.363 0.663 1.000 0.600 N 0.887 6 residues pruned to eliminate duplicates Z: 37 23.167 1.788 0.545 0.689 0.944 0.778 CB 1.244 42 residues pruned to eliminate duplicates Z: 23 18.243 1.817 0.485 0.773 0.955 0.818 CA 1.186 23 residues pruned to eliminate duplicates Z: 32 22.264 1.806 0.613 0.628 0.903 0.742 CB 1.347 33 residues pruned to eliminate duplicates Z: 18 21.614 1.845 0.672 0.852 1.000 0.882 CB 1.257 18 residues pruned to eliminate duplicates Z: 33 24.100 1.825 0.590 0.688 0.906 0.781 CB 1.363 33 residues pruned to eliminate duplicates Z: 18 22.800 1.927 0.462 0.903 1.000 0.882 CB 1.399 18 residues pruned to eliminate duplicates Z: 19 20.495 1.844 0.448 0.901 1.000 0.722 CB 1.291 19 residues pruned to eliminate duplicates Z: 23 24.053 1.914 0.520 0.682 1.000 0.864 CB 1.491 24 residues pruned to eliminate duplicates Z: 18 21.326 1.878 0.639 0.865 1.000 0.706 CB 1.231 18 residues pruned to eliminate duplicates Z: 24 27.257 1.940 0.603 0.713 1.000 0.826 CA 1.506 24 residues pruned to eliminate duplicates Z: 16 23.036 1.975 0.500 0.919 1.000 0.667 CB 1.415 16 residues pruned to eliminate duplicates Z: 38 23.501 1.761 0.615 0.667 0.919 0.676 CB 1.267 38 residues pruned to eliminate duplicates Z: 34 22.571 1.816 0.589 0.639 0.939 0.788 CB 1.274 34 residues pruned to eliminate duplicates Z: 37 20.041 1.774 0.636 0.612 0.861 0.556 CB 1.203 37 residues pruned to eliminate duplicates Z: 37 22.726 1.760 0.620 0.632 0.861 0.694 CB 1.364 37 residues pruned to eliminate duplicates Z: 32 25.336 1.824 0.721 0.707 0.903 0.710 CB 1.329 31 residues pruned to eliminate duplicates Z: 17 25.976 1.945 0.733 0.912 1.000 0.625 CB 1.365 17 residues pruned to eliminate duplicates Z: 16 28.553 2.010 0.831 0.936 1.000 0.800 CB 1.394 16 residues pruned to eliminate duplicates Z: 11 13.278 1.797 0.611 0.646 1.000 0.800 CB 1.266 11 residues pruned to eliminate duplicates Z: 21 12.229 1.798 0.445 0.451 0.950 0.600 CB 1.165 21 residues pruned to eliminate duplicates Z: 14 8.709 1.683 0.631 0.539 0.846 0.538 CB 1.001 14 residues pruned to eliminate duplicates Z: 9 13.715 1.785 0.680 0.786 1.000 0.625 CB 1.257 13 residues pruned to eliminate duplicates Z: 11 8.971 1.588 0.561 0.792 0.900 0.600 CB 0.984 11 residues pruned to eliminate duplicates Z: 43 26.875 2.096 0.682 0.401 0.905 0.690 CB 1.443 59 residues pruned to eliminate duplicates Z: 12 7.373 1.689 0.420 0.576 0.727 0.636 CA 1.185 12 residues pruned to eliminate duplicates Z: 47 24.036 2.004 0.597 0.387 0.913 0.500 CB 1.367 47 residues pruned to eliminate duplicates Z: 25 18.225 2.018 0.577 0.467 0.917 0.667 CB 1.318 25 residues pruned to eliminate duplicates Z: 38 21.054 2.054 0.525 0.366 0.865 0.595 CB 1.475 38 residues pruned to eliminate duplicates Z: 39 23.081 2.057 0.605 0.356 0.868 0.579 CB 1.527 39 residues pruned to eliminate duplicates Z: 37 23.463 2.074 0.701 0.374 0.861 0.583 CB 1.473 37 residues pruned to eliminate duplicates Z: 37 24.907 2.099 0.667 0.401 0.889 0.583 CB 1.481 37 residues pruned to eliminate duplicates Z: 38 22.459 2.064 0.658 0.334 0.838 0.676 CA 1.544 38 residues pruned to eliminate duplicates Z: 37 27.014 2.118 0.722 0.395 0.917 0.722 CA 1.505 37 residues pruned to eliminate duplicates Z: 34 23.402 2.145 0.576 0.411 0.848 0.636 CB 1.560 34 residues pruned to eliminate duplicates Z: 28 12.690 1.892 0.621 0.316 0.852 0.556 CB 1.145 28 residues pruned to eliminate duplicates Z: 38 24.712 2.064 0.618 0.385 0.865 0.514 CA 1.590 38 residues pruned to eliminate duplicates Z: 35 24.140 2.114 0.559 0.387 0.941 0.559 CB 1.506 35 residues pruned to eliminate duplicates Z: 40 22.682 2.034 0.582 0.381 0.897 0.590 CB 1.428 40 residues pruned to eliminate duplicates Z: 33 27.940 2.168 0.757 0.394 0.938 0.625 CB 1.547 33 residues pruned to eliminate duplicates Z: 38 26.065 2.118 0.733 0.386 0.865 0.622 CA 1.523 38 residues pruned to eliminate duplicates Z: 31 19.764 2.089 0.687 0.307 0.933 0.500 CA 1.359 31 residues pruned to eliminate duplicates Z: 45 21.613 2.005 0.706 0.326 0.864 0.591 CB 1.336 45 residues pruned to eliminate duplicates Z: 36 22.722 2.083 0.733 0.367 0.886 0.571 CB 1.386 36 residues pruned to eliminate duplicates Z: 35 25.313 2.128 0.661 0.389 0.912 0.618 CB 1.514 35 residues pruned to eliminate duplicates Z: 39 24.077 2.071 0.571 0.362 0.921 0.605 CB 1.512 39 residues pruned to eliminate duplicates Z: 37 25.573 2.075 0.751 0.405 0.917 0.583 CB 1.414 37 residues pruned to eliminate duplicates Z: 35 26.842 2.160 0.594 0.363 0.971 0.559 CB 1.595 35 residues pruned to eliminate duplicates Z: 31 16.184 2.029 0.574 0.268 0.867 0.567 CB 1.389 24 residues pruned to eliminate duplicates Z: 6 6.419 1.874 0.888 0.386 0.800 0.400 CA 1.145 6 residues pruned to eliminate duplicates Z: 52 21.569 1.947 0.600 0.375 0.922 0.549 CB 1.202 52 residues pruned to eliminate duplicates Z: 40 27.155 2.044 0.710 0.389 0.923 0.564 CA 1.517 40 residues pruned to eliminate duplicates Z: 39 24.723 2.076 0.594 0.373 0.895 0.632 CB 1.551 39 residues pruned to eliminate duplicates Z: 33 27.422 2.121 0.807 0.398 0.906 0.750 CA 1.554 33 residues pruned to eliminate duplicates Z: 27 23.010 2.186 0.664 0.381 0.923 0.654 CB 1.525 27 residues pruned to eliminate duplicates Z: 37 24.772 2.049 0.700 0.371 0.917 0.667 CB 1.485 37 residues pruned to eliminate duplicates Z: 12 9.362 1.905 0.685 0.408 0.909 0.818 CB 1.066 12 residues pruned to eliminate duplicates Z: 44 22.677 2.057 0.765 0.343 0.814 0.674 CB 1.388 44 residues pruned to eliminate duplicates Z: 13 10.723 2.035 0.417 0.401 0.833 0.583 CB 1.430 13 residues pruned to eliminate duplicates Z: 11 6.535 1.773 0.339 0.283 0.800 0.600 N 1.388 11 residues pruned to eliminate duplicates Z: 11 6.710 1.901 0.529 0.257 0.900 0.700 CB 1.072 11 residues pruned to eliminate duplicates Z: 15 10.453 1.923 0.543 0.375 0.786 0.643 CB 1.369 15 residues pruned to eliminate duplicates Z: 16 11.024 1.716 0.703 0.471 0.867 0.400 CB 1.158 9 residues pruned to eliminate duplicates Z: 6 2.970 1.491 0.893 0.298 0.600 0.200 CB 0.983 Z: 6 2.424 1.165 0.636 0.474 0.800 0.800 N 0.729 6 residues pruned to eliminate duplicates Z: 17 11.320 1.886 0.467 0.370 0.812 0.562 CA 1.447 17 residues pruned to eliminate duplicates Z: 12 14.011 2.013 0.627 0.378 0.909 0.727 CA 1.615 12 residues pruned to eliminate duplicates Z: 19 9.426 1.793 0.517 0.311 0.778 0.500 CB 1.295 19 residues pruned to eliminate duplicates Z: 25 22.503 1.970 0.611 0.560 0.917 0.792 CA 1.489 25 residues pruned to eliminate duplicates Z: 22 11.093 1.742 0.629 0.340 0.810 0.524 CB 1.255 22 residues pruned to eliminate duplicates Z: 49 25.940 1.910 0.508 0.547 0.938 0.625 CB 1.324 49 residues pruned to eliminate duplicates Z: 44 31.093 1.995 0.699 0.503 0.953 0.744 CB 1.464 44 residues pruned to eliminate duplicates Z: 23 18.222 1.961 0.584 0.502 0.909 0.727 CA 1.373 23 residues pruned to eliminate duplicates Z: 29 16.359 1.839 0.543 0.475 0.857 0.571 CB 1.304 29 residues pruned to eliminate duplicates Z: 28 23.067 1.980 0.534 0.642 0.926 0.778 CB 1.382 28 residues pruned to eliminate duplicates Z: 30 29.335 1.967 0.766 0.618 1.000 0.724 CB 1.403 30 residues pruned to eliminate duplicates Z: 18 17.562 1.800 0.686 0.678 1.000 0.706 CB 1.191 18 residues pruned to eliminate duplicates Z: 28 26.881 1.983 0.750 0.649 0.963 0.667 CB 1.347 28 residues pruned to eliminate duplicates Z: 22 27.613 1.983 0.762 0.745 0.952 0.667 CB 1.455 22 residues pruned to eliminate duplicates Z: 33 24.954 1.962 0.638 0.565 1.000 0.781 CB 1.289 33 residues pruned to eliminate duplicates Z: 35 30.874 1.977 0.626 0.663 0.971 0.676 CA 1.459 35 residues pruned to eliminate duplicates Z: 32 29.456 1.956 0.688 0.627 0.968 0.677 CB 1.470 32 residues pruned to eliminate duplicates Z: 48 26.017 1.950 0.643 0.490 0.915 0.702 CB 1.308 48 residues pruned to eliminate duplicates Z: 37 25.914 1.888 0.765 0.582 0.972 0.667 CB 1.233 37 residues pruned to eliminate duplicates Z: 46 31.301 1.970 0.747 0.535 0.978 0.533 CB 1.340 46 residues pruned to eliminate duplicates Z: 41 30.395 1.921 0.753 0.590 0.950 0.675 CB 1.379 41 residues pruned to eliminate duplicates Z: 43 31.580 1.961 0.765 0.574 0.952 0.690 CB 1.377 43 residues pruned to eliminate duplicates Z: 49 29.941 1.934 0.692 0.512 0.896 0.542 CB 1.457 49 residues pruned to eliminate duplicates Z: 29 30.247 1.974 0.908 0.677 0.964 0.750 CB 1.338 29 residues pruned to eliminate duplicates Z: 31 26.297 1.947 0.834 0.631 0.900 0.667 CB 1.321 31 residues pruned to eliminate duplicates Z: 34 26.907 1.947 0.788 0.601 0.909 0.515 CB 1.344 34 residues pruned to eliminate duplicates Z: 40 28.227 1.995 0.678 0.577 0.923 0.769 CB 1.358 40 residues pruned to eliminate duplicates Z: 46 30.378 1.924 0.758 0.544 0.911 0.489 CB 1.408 46 residues pruned to eliminate duplicates Z: 43 33.374 1.986 0.676 0.579 0.976 0.619 CB 1.468 43 residues pruned to eliminate duplicates Z: 44 25.246 1.916 0.651 0.530 0.907 0.488 CB 1.303 44 residues pruned to eliminate duplicates Z: 30 32.036 1.986 0.835 0.683 0.966 0.759 CB 1.428 30 residues pruned to eliminate duplicates Z: 45 30.328 1.946 0.731 0.533 0.909 0.591 CB 1.445 45 residues pruned to eliminate duplicates Z: 45 25.553 1.943 0.716 0.533 0.909 0.568 CB 1.230 45 residues pruned to eliminate duplicates Z: 53 38.690 1.956 0.760 0.553 0.962 0.500 CB 1.540 53 residues pruned to eliminate duplicates Z: 61 40.388 1.974 0.799 0.586 0.933 0.600 CB 1.449 61 residues pruned to eliminate duplicates Z: 53 39.492 2.004 0.770 0.599 0.942 0.442 CB 1.491 53 residues pruned to eliminate duplicates Z: 12 11.337 1.889 0.567 0.409 0.818 0.364 CB 1.553 12 residues pruned to eliminate duplicates Z: 26 24.731 2.005 0.600 0.545 0.920 0.520 CB 1.604 26 residues pruned to eliminate duplicates Z: 37 35.370 1.973 0.841 0.589 1.000 0.611 CB 1.490 37 residues pruned to eliminate duplicates Z: 50 34.722 1.981 0.690 0.577 0.980 0.571 CB 1.404 50 residues pruned to eliminate duplicates Z: 27 25.094 2.003 0.703 0.579 0.846 0.500 CB 1.579 27 residues pruned to eliminate duplicates Z: 58 44.166 1.996 0.769 0.611 0.965 0.596 CB 1.546 58 residues pruned to eliminate duplicates Z: 47 40.654 1.992 0.808 0.649 0.978 0.674 CB 1.480 47 residues pruned to eliminate duplicates Z: 46 31.490 1.934 0.787 0.615 0.911 0.578 CB 1.337 66 residues pruned to eliminate duplicates Z: 7 4.556 1.240 0.945 0.531 1.000 0.500 N 0.748 7 residues pruned to eliminate duplicates Z: 19 17.073 1.946 0.742 0.524 0.833 0.556 CB 1.391 19 residues pruned to eliminate duplicates Z: 20 21.098 1.967 0.842 0.576 0.842 0.579 CB 1.475 20 residues pruned to eliminate duplicates Z: 23 25.370 1.984 0.837 0.580 0.955 0.591 CB 1.440 23 residues pruned to eliminate duplicates Z: 24 28.640 1.956 1.065 0.631 0.870 0.609 CA 1.503 24 residues pruned to eliminate duplicates Z: 20 24.658 2.013 0.790 0.650 0.895 0.684 CB 1.526 20 residues pruned to eliminate duplicates Z: 21 20.574 1.966 0.823 0.563 0.850 0.650 CB 1.420 21 residues pruned to eliminate duplicates Z: 21 24.386 2.025 0.825 0.597 0.800 0.650 CB 1.682 21 residues pruned to eliminate duplicates Z: 19 20.672 1.945 0.723 0.503 0.944 0.500 CA 1.534 19 residues pruned to eliminate duplicates Z: 24 25.020 2.016 0.790 0.507 0.913 0.609 CB 1.572 24 residues pruned to eliminate duplicates Z: 21 18.864 1.800 0.785 0.729 0.950 0.750 CB 1.125 21 residues pruned to eliminate duplicates Z: 68 47.746 1.985 0.796 0.642 0.970 0.716 CB 1.477 72 residues pruned to eliminate duplicates Z: 6 3.183 1.475 0.783 0.258 1.000 0.400 O 0.714 Z: 6 4.388 1.423 0.463 0.622 1.000 0.800 CA 0.840 6 residues pruned to eliminate duplicates Z: 10 11.461 1.963 0.489 0.556 1.000 0.556 CB 1.238 9 residues pruned to eliminate duplicates Z: 6 2.208 1.332 0.533 0.306 1.000 0.400 N 0.600 6 residues pruned to eliminate duplicates Z: 13 10.814 1.859 0.507 0.521 0.833 0.583 CB 1.310 10 residues pruned to eliminate duplicates Z: 6 3.609 1.450 0.635 0.432 1.000 1.000 CA 0.730 6 residues pruned to eliminate duplicates Z: 39 27.166 1.873 0.811 0.633 0.947 0.579 CB 1.210 39 residues pruned to eliminate duplicates Z: 15 13.920 1.734 0.707 0.543 0.929 0.643 CB 1.298 15 residues pruned to eliminate duplicates Z: 6 6.821 1.859 0.691 0.397 0.800 0.400 CA 1.353 Z: 7 10.046 1.933 0.454 0.529 1.000 1.000 CA 1.418 7 residues pruned to eliminate duplicates Z: 31 26.130 1.951 0.635 0.720 1.000 0.767 CB 1.225 31 residues pruned to eliminate duplicates Z: 7 8.921 1.563 0.615 0.824 1.000 0.500 CA 1.090 7 residues pruned to eliminate duplicates Z: 22 21.181 1.942 0.672 0.683 1.000 0.905 CB 1.203 22 residues pruned to eliminate duplicates Z: 37 25.975 1.855 0.656 0.693 0.972 0.750 CB 1.215 37 residues pruned to eliminate duplicates Z: 20 18.649 1.857 0.805 0.781 0.895 0.842 CB 1.113 20 residues pruned to eliminate duplicates Z: 21 19.019 1.931 0.820 0.658 0.950 0.700 CB 1.100 21 residues pruned to eliminate duplicates Z: 34 23.908 1.903 0.668 0.684 0.970 0.818 CB 1.141 32 residues pruned to eliminate duplicates Z: 17 19.728 1.939 0.787 0.881 1.000 0.812 CB 1.030 18 residues pruned to eliminate duplicates Z: 17 20.144 1.957 0.662 0.841 1.000 0.750 CB 1.155 17 residues pruned to eliminate duplicates Z: 36 26.548 1.893 0.712 0.693 0.971 0.714 CB 1.195 36 residues pruned to eliminate duplicates Z: 32 23.129 1.939 0.621 0.696 0.903 0.774 CB 1.224 32 residues pruned to eliminate duplicates Z: 32 24.563 1.953 0.622 0.734 0.935 0.806 CB 1.207 32 residues pruned to eliminate duplicates Z: 36 24.019 1.869 0.668 0.660 0.971 0.771 CB 1.156 36 residues pruned to eliminate duplicates Z: 36 23.821 1.871 0.623 0.693 0.943 0.686 CB 1.179 36 residues pruned to eliminate duplicates Z: 32 28.645 1.951 0.803 0.727 0.968 0.581 CB 1.232 32 residues pruned to eliminate duplicates Z: 35 23.629 1.867 0.601 0.669 0.941 0.618 CB 1.233 35 residues pruned to eliminate duplicates Z: 36 26.324 1.886 0.806 0.658 0.971 0.800 CB 1.161 36 residues pruned to eliminate duplicates Z: 34 24.015 1.890 0.663 0.669 0.939 0.667 CB 1.210 34 residues pruned to eliminate duplicates Z: 38 22.519 1.827 0.643 0.661 0.919 0.595 CB 1.157 38 residues pruned to eliminate duplicates Z: 36 25.025 1.882 0.644 0.691 0.971 0.543 CB 1.182 36 residues pruned to eliminate duplicates Z: 31 28.611 1.965 0.801 0.742 0.967 0.767 CB 1.229 31 residues pruned to eliminate duplicates Z: 9 9.968 1.720 0.433 0.521 1.000 0.625 CA 1.401 9 residues pruned to eliminate duplicates Z: 10 8.016 1.672 0.259 0.549 1.000 0.444 CB 1.210 9 residues pruned to eliminate duplicates Z: 10 9.465 1.627 0.192 0.842 1.000 0.889 CB 1.213 10 residues pruned to eliminate duplicates Z: 31 16.399 1.926 0.534 0.451 0.833 0.500 CB 1.279 31 residues pruned to eliminate duplicates Z: 21 13.728 1.757 0.701 0.457 0.750 0.500 CB 1.431 21 residues pruned to eliminate duplicates Z: 15 11.475 1.819 0.594 0.491 0.857 0.571 CB 1.245 15 residues pruned to eliminate duplicates Z: 20 13.578 1.841 0.569 0.482 0.947 0.579 CB 1.159 20 residues pruned to eliminate duplicates Z: 28 13.693 1.804 0.636 0.392 0.852 0.519 CB 1.175 28 residues pruned to eliminate duplicates Z: 27 13.275 1.832 0.479 0.405 0.885 0.577 CB 1.200 27 residues pruned to eliminate duplicates Z: 10 8.332 2.001 0.491 0.295 0.889 0.444 CB 1.317 10 residues pruned to eliminate duplicates Z: 18 7.425 1.893 0.551 0.245 0.882 0.235 CB 0.933 18 residues pruned to eliminate duplicates Z: 13 6.488 1.904 0.689 0.307 0.750 0.167 CB 0.962 13 residues pruned to eliminate duplicates Z: 29 10.705 1.826 0.404 0.304 0.857 0.393 CB 1.145 29 residues pruned to eliminate duplicates Z: 23 14.421 1.838 0.698 0.442 0.909 0.409 CB 1.151 23 residues pruned to eliminate duplicates Z: 10 7.155 2.002 0.621 0.267 0.778 0.333 CB 1.233 10 residues pruned to eliminate duplicates Z: 34 12.335 1.854 0.445 0.369 0.848 0.485 CB 1.087 34 residues pruned to eliminate duplicates Z: 15 3.930 1.553 0.243 0.292 0.786 0.500 CB 0.875 15 residues pruned to eliminate duplicates Z: 38 13.846 1.824 0.625 0.333 0.838 0.324 CB 1.100 38 residues pruned to eliminate duplicates Z: 36 14.372 1.860 0.715 0.336 0.800 0.457 CB 1.139 36 residues pruned to eliminate duplicates Z: 7 4.281 1.740 0.190 0.215 1.000 0.167 CB 1.179 7 residues pruned to eliminate duplicates Z: 9 5.308 1.711 0.472 0.277 0.875 0.375 N 1.096 9 residues pruned to eliminate duplicates Z: 15 8.873 1.934 0.361 0.334 0.857 0.500 CB 1.260 15 residues pruned to eliminate duplicates Z: 34 15.516 1.815 0.358 0.352 0.848 0.515 CB 1.516 46 residues pruned to eliminate duplicates Z: 6 2.845 1.498 0.168 0.228 1.000 0.200 CA 0.998 6 residues pruned to eliminate duplicates Z: 16 6.922 1.876 0.291 0.311 0.800 0.533 CB 1.137 16 residues pruned to eliminate duplicates Z: 18 8.179 1.761 0.231 0.309 0.882 0.471 CB 1.282 18 residues pruned to eliminate duplicates Z: 16 9.743 1.825 0.255 0.308 1.000 0.733 CB 1.360 16 residues pruned to eliminate duplicates Z: 12 8.007 1.908 0.365 0.381 0.818 0.727 CB 1.286 12 residues pruned to eliminate duplicates Z: 12 6.320 1.726 0.552 0.415 0.727 0.455 CB 1.069 12 residues pruned to eliminate duplicates Z: 21 8.309 1.756 0.265 0.287 0.850 0.350 CB 1.252 21 residues pruned to eliminate duplicates Z: 20 10.139 1.818 0.428 0.296 0.842 0.421 CB 1.336 20 residues pruned to eliminate duplicates Z: 8 5.249 1.724 0.282 0.305 0.857 0.571 CB 1.301 8 residues pruned to eliminate duplicates Z: 23 12.517 1.786 0.369 0.273 0.955 0.591 CB 1.480 23 residues pruned to eliminate duplicates Z: 36 16.040 1.845 0.406 0.342 0.857 0.457 CB 1.448 36 residues pruned to eliminate duplicates Z: 7 4.224 1.765 0.317 0.260 0.833 0.500 CB 1.171 Z: 6 4.768 1.564 0.472 0.366 1.000 0.600 CA 1.069 6 residues pruned to eliminate duplicates Z: 19 15.378 1.914 0.523 0.487 0.889 0.667 CA 1.417 27 residues pruned to eliminate duplicates Z: 10 9.908 1.687 0.244 0.845 1.000 0.667 CB 1.170 10 residues pruned to eliminate duplicates Z: 16 14.755 1.636 0.579 0.778 1.000 0.667 CB 1.154 16 residues pruned to eliminate duplicates Z: 17 10.876 1.631 0.479 0.634 0.875 0.688 CB 1.136 17 residues pruned to eliminate duplicates Z: 12 12.732 1.708 0.780 0.863 0.909 0.818 CB 1.019 12 residues pruned to eliminate duplicates Z: 14 16.826 1.738 0.753 0.904 1.000 0.769 CB 1.091 14 residues pruned to eliminate duplicates Z: 17 9.367 1.662 0.616 0.565 0.750 0.562 CB 1.092 11 residues pruned to eliminate duplicates Z: 11 16.075 1.776 0.937 0.916 1.000 0.800 CB 1.043 11 residues pruned to eliminate duplicates Z: 31 21.594 1.742 0.589 0.641 0.967 0.633 CB 1.291 34 residues pruned to eliminate duplicates Z: 14 16.716 1.706 0.952 0.929 1.000 0.692 CB 0.974 14 residues pruned to eliminate duplicates Z: 31 19.510 1.752 0.611 0.616 0.933 0.633 CB 1.211 31 residues pruned to eliminate duplicates Z: 15 16.205 1.700 0.938 0.854 1.000 0.643 CB 0.971 15 residues pruned to eliminate duplicates Z: 16 18.031 1.652 0.844 0.859 1.000 0.867 CB 1.124 16 residues pruned to eliminate duplicates Z: 20 12.489 1.580 0.725 0.699 0.895 0.684 CB 0.980 20 residues pruned to eliminate duplicates Z: 7 3.778 1.727 0.469 0.482 0.667 0.333 CB 0.928 7 residues pruned to eliminate duplicates Z: 6 2.960 1.727 0.264 0.535 0.800 0.400 CB 0.732 6 residues pruned to eliminate duplicates Z: 17 8.159 1.838 0.377 0.289 0.875 0.375 CB 1.168 17 residues pruned to eliminate duplicates Z: 14 10.714 1.803 0.484 0.377 0.923 0.385 CB 1.371 14 residues pruned to eliminate duplicates Z: 14 9.363 1.776 0.552 0.459 0.769 0.462 CB 1.277 14 residues pruned to eliminate duplicates Z: 26 10.934 1.828 0.407 0.432 0.800 0.520 CB 1.140 26 residues pruned to eliminate duplicates Z: 12 9.303 1.601 0.561 0.431 0.909 0.636 O 1.325 Z: 7 4.413 1.630 0.547 0.216 0.833 0.167 O 1.198 7 residues pruned to eliminate duplicates Z: 14 6.963 1.794 0.471 0.275 0.769 0.462 CB 1.228 14 residues pruned to eliminate duplicates Z: 19 5.383 1.507 0.396 0.209 0.722 0.500 N 1.179 12 residues pruned to eliminate duplicates Z: 17 23.656 1.967 0.798 0.829 0.938 0.812 CA 1.342 17 residues pruned to eliminate duplicates Z: 19 19.832 1.977 0.493 0.789 0.889 0.778 CB 1.382 19 residues pruned to eliminate duplicates Z: 21 15.868 1.863 0.376 0.703 0.850 0.750 CA 1.353 20 residues pruned to eliminate duplicates Z: 16 21.437 1.963 0.715 0.877 0.933 0.800 CB 1.279 16 residues pruned to eliminate duplicates Z: 16 21.848 1.978 0.720 0.787 0.933 0.533 CB 1.381 16 residues pruned to eliminate duplicates Z: 22 18.361 1.908 0.510 0.687 0.952 0.810 CB 1.230 20 residues pruned to eliminate duplicates Z: 15 24.479 2.001 0.868 0.849 0.929 0.643 CA 1.398 15 residues pruned to eliminate duplicates Z: 20 16.324 1.942 0.360 0.701 0.895 0.579 CB 1.320 20 residues pruned to eliminate duplicates Z: 19 19.844 1.920 0.612 0.754 0.944 0.722 CB 1.276 19 residues pruned to eliminate duplicates Z: 21 19.992 1.885 0.528 0.759 0.900 0.750 CB 1.369 21 residues pruned to eliminate duplicates Z: 22 17.434 1.852 0.398 0.647 0.952 0.667 CB 1.345 22 residues pruned to eliminate duplicates Z: 14 19.852 2.029 0.500 0.756 0.923 0.769 CA 1.561 14 residues pruned to eliminate duplicates Z: 22 19.297 1.864 0.513 0.682 0.952 0.619 CB 1.327 22 residues pruned to eliminate duplicates Z: 21 21.346 1.919 0.520 0.730 0.950 0.750 CB 1.401 23 residues pruned to eliminate duplicates Z: 10 16.542 1.883 0.685 0.868 1.000 0.778 CB 1.270 10 residues pruned to eliminate duplicates Z: 15 23.269 2.053 0.563 0.840 1.000 0.929 CB 1.446 15 residues pruned to eliminate duplicates Z: 23 11.609 1.758 0.322 0.531 0.773 0.545 CB 1.336 23 residues pruned to eliminate duplicates Z: 29 18.285 1.781 0.642 0.540 0.893 0.571 CB 1.273 29 residues pruned to eliminate duplicates Z: 23 17.702 1.844 0.561 0.616 0.864 0.591 CA 1.360 23 residues pruned to eliminate duplicates Z: 27 8.283 1.545 0.411 0.355 0.846 0.462 CB 1.030 27 residues pruned to eliminate duplicates Z: 28 21.501 1.779 0.575 0.683 0.926 0.667 CB 1.348 28 residues pruned to eliminate duplicates Z: 11 4.644 1.633 0.288 0.303 0.700 0.500 N 1.242 11 residues pruned to eliminate duplicates Z: 17 7.148 1.600 0.349 0.378 0.812 0.688 CB 1.161 12 residues pruned to eliminate duplicates Z: 7 2.406 1.329 0.416 0.375 0.833 0.500 CB 0.716 7 residues pruned to eliminate duplicates 650 residues left after pruning, divided into chains as follows: A: 8 B: 10 C: 7 D: 8 E: 15 F: 15 G: 61 H: 22 I: 6 J: 8 K: 22 L: 11 M: 29 N: 15 O: 72 P: 93 Q: 23 R: 139 S: 36 T: 26 U: 24 CC for partial structure against native data = 35.74 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.503, Connect. = 0.715 for dens.mod. cycle 1 = 0.300, Contrast = 0.576, Connect. = 0.739 for dens.mod. cycle 2 = 0.300, Contrast = 0.673, Connect. = 0.767 for dens.mod. cycle 3 = 0.300, Contrast = 0.680, Connect. = 0.769 for dens.mod. cycle 4 = 0.300, Contrast = 0.688, Connect. = 0.772 for dens.mod. cycle 5 = 0.300, Contrast = 0.689, Connect. = 0.774 for dens.mod. cycle 6 = 0.300, Contrast = 0.692, Connect. = 0.775 for dens.mod. cycle 7 = 0.300, Contrast = 0.692, Connect. = 0.776 for dens.mod. cycle 8 = 0.300, Contrast = 0.692, Connect. = 0.777 for dens.mod. cycle 9 = 0.300, Contrast = 0.691, Connect. = 0.778 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3282 peaks > 0.5 sigma used to seed fragment search Space for about 1132 unique residues taking solvent into account 756 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 27.262 1.914 0.833 0.930 1.000 0.786 CA 1.452 B: 18 20.356 1.881 0.528 0.909 1.000 0.882 CB 1.219 C: 20 21.643 1.814 0.642 0.825 0.947 0.632 CA 1.328 D: 15 10.470 1.868 0.602 0.352 0.786 0.571 N 1.396 E: 61 38.343 1.918 0.807 0.647 0.967 0.650 CB 1.287 17 residues pruned to eliminate duplicates F: 16 24.312 1.814 1.050 0.910 1.000 0.533 CB 1.197 16 residues pruned to eliminate duplicates G: 15 21.808 2.009 1.208 0.918 1.000 0.714 CB 0.927 H: 21 23.657 1.961 0.829 0.621 0.950 0.650 CB 1.385 21 residues pruned to eliminate duplicates I: 17 8.076 1.903 0.423 0.289 0.812 0.625 CB 1.163 J: 14 19.619 1.975 0.846 0.917 0.846 0.769 CB 1.245 K: 16 18.008 1.940 0.488 0.849 0.933 0.600 CB 1.280 L: 16 19.295 1.857 0.511 0.936 1.000 0.867 CA 1.236 16 residues pruned to eliminate duplicates M: 12 10.699 1.871 0.278 0.406 1.000 0.545 CA 1.490 N: 26 12.882 1.830 0.480 0.303 0.880 0.600 CB 1.346 17 residues pruned to eliminate duplicates O: 20 32.706 1.979 1.031 0.887 0.947 0.789 CB 1.421 P: 15 12.041 1.960 0.463 0.354 0.929 0.714 CB 1.416 15 residues pruned to eliminate duplicates Q: 7 3.398 1.677 0.514 0.352 1.000 0.667 CB 0.642 R: 14 25.637 1.912 0.743 0.934 1.000 0.615 CB 1.487 S: 10 13.792 1.920 0.475 0.808 0.889 0.556 CB 1.396 10 residues pruned to eliminate duplicates T: 15 22.336 2.038 0.749 0.568 0.929 0.714 N 1.688 14 residues pruned to eliminate duplicates U: 17 21.791 1.912 0.559 0.931 1.000 1.000 CB 1.277 19 residues pruned to eliminate duplicates V: 19 24.347 1.994 0.601 0.868 0.944 0.611 CA 1.391 19 residues pruned to eliminate duplicates W: 16 19.886 1.954 0.449 0.882 1.000 0.733 CA 1.312 16 residues pruned to eliminate duplicates X: 15 26.994 1.923 0.970 0.943 1.000 0.857 CB 1.320 14 residues pruned to eliminate duplicates Y: 11 8.539 1.803 0.457 0.703 0.900 0.800 CB 0.950 Z: 15 19.324 1.993 0.492 0.848 0.929 0.643 CB 1.389 15 residues pruned to eliminate duplicates Z: 15 20.029 1.886 0.631 0.931 1.000 0.929 CB 1.216 15 residues pruned to eliminate duplicates Z: 59 33.408 1.890 0.748 0.615 0.931 0.638 CB 1.279 59 residues pruned to eliminate duplicates Z: 64 40.556 2.004 0.722 0.588 0.952 0.635 CB 1.429 35 residues pruned to eliminate duplicates Z: 7 10.618 1.723 0.599 0.834 1.000 0.833 N 1.179 Z: 9 9.273 1.763 0.441 0.749 0.875 0.625 CA 1.181 7 residues pruned to eliminate duplicates Z: 30 25.016 1.938 0.598 0.606 0.897 0.586 CB 1.512 25 residues pruned to eliminate duplicates Z: 24 14.053 1.690 0.372 0.537 0.913 0.739 CB 1.335 Z: 17 26.601 2.028 0.695 0.828 1.000 0.875 CA 1.457 17 residues pruned to eliminate duplicates Z: 41 24.535 1.834 0.659 0.596 0.950 0.700 CB 1.224 Z: 53 28.209 2.077 0.595 0.406 0.904 0.538 CB 1.443 7 residues pruned to eliminate duplicates Z: 11 17.049 1.927 0.778 0.791 0.900 0.700 CB 1.354 12 residues pruned to eliminate duplicates Z: 25 20.397 1.834 0.640 0.619 0.958 0.667 CB 1.291 8 residues pruned to eliminate duplicates Z: 16 21.025 1.931 0.570 0.899 1.000 0.667 CB 1.280 16 residues pruned to eliminate duplicates Z: 15 14.568 1.716 0.743 0.717 0.929 0.571 CB 1.151 Z: 15 11.112 1.800 -0.008 0.916 1.000 0.857 CB 1.175 15 residues pruned to eliminate duplicates Z: 37 21.729 2.052 0.628 0.325 0.917 0.583 CB 1.433 14 residues pruned to eliminate duplicates Z: 6 3.050 1.654 0.410 0.330 0.800 0.400 CB 0.881 6 residues pruned to eliminate duplicates Z: 9 15.439 1.905 0.832 0.787 1.000 0.625 CB 1.216 9 residues pruned to eliminate duplicates Z: 63 35.982 1.916 0.691 0.686 0.935 0.758 CB 1.271 63 residues pruned to eliminate duplicates Z: 14 19.155 1.806 0.700 0.926 0.923 0.769 CA 1.314 14 residues pruned to eliminate duplicates Z: 21 17.595 1.734 0.400 0.833 1.000 0.700 CA 1.216 21 residues pruned to eliminate duplicates Z: 17 24.721 2.049 0.743 0.878 0.938 0.688 CB 1.339 17 residues pruned to eliminate duplicates Z: 17 14.871 1.940 0.331 0.849 0.812 0.688 CB 1.314 17 residues pruned to eliminate duplicates Z: 19 12.250 1.734 0.499 0.519 0.889 0.500 N 1.226 Z: 33 32.327 1.888 0.802 0.752 0.938 0.688 CB 1.432 33 residues pruned to eliminate duplicates Z: 21 10.810 1.758 0.463 0.447 0.750 0.500 CB 1.324 21 residues pruned to eliminate duplicates Z: 13 18.284 1.809 0.922 0.796 0.917 0.750 CB 1.277 15 residues pruned to eliminate duplicates Z: 17 18.046 1.864 0.309 0.900 1.000 0.750 CA 1.320 17 residues pruned to eliminate duplicates Z: 12 4.619 1.914 0.045 0.265 0.636 0.364 CB 1.431 12 residues pruned to eliminate duplicates Z: 10 11.149 1.784 0.638 0.723 1.000 0.667 N 1.039 10 residues pruned to eliminate duplicates Z: 18 18.581 1.802 0.649 0.613 0.941 0.529 CB 1.448 18 residues pruned to eliminate duplicates Z: 13 13.438 1.732 0.461 0.826 0.917 0.583 CA 1.261 13 residues pruned to eliminate duplicates Z: 58 34.069 2.037 0.655 0.464 0.930 0.579 CB 1.493 41 residues pruned to eliminate duplicates Z: 20 27.818 1.978 0.697 0.882 1.000 0.684 CA 1.376 20 residues pruned to eliminate duplicates Z: 36 18.643 2.048 0.688 0.269 0.829 0.457 CB 1.430 35 residues pruned to eliminate duplicates Z: 12 20.780 1.964 0.822 0.654 1.000 0.727 N 1.517 12 residues pruned to eliminate duplicates Z: 18 18.129 1.866 0.305 0.928 1.000 0.882 CB 1.265 18 residues pruned to eliminate duplicates Z: 19 15.588 2.109 0.546 0.338 0.889 0.556 CA 1.512 19 residues pruned to eliminate duplicates Z: 53 31.450 1.947 0.683 0.583 0.923 0.596 CB 1.331 53 residues pruned to eliminate duplicates Z: 10 8.082 1.712 0.692 0.316 1.000 0.444 CB 1.140 Z: 53 25.180 1.932 0.596 0.481 0.885 0.500 CB 1.305 53 residues pruned to eliminate duplicates Z: 15 20.876 1.994 0.453 0.885 1.000 0.857 CA 1.391 15 residues pruned to eliminate duplicates Z: 30 15.628 1.989 0.506 0.345 0.897 0.655 CB 1.279 19 residues pruned to eliminate duplicates Z: 6 4.701 1.711 -0.037 0.681 0.800 0.600 CA 1.351 6 residues pruned to eliminate duplicates Z: 11 9.290 1.882 0.471 0.377 0.900 0.500 CB 1.344 11 residues pruned to eliminate duplicates Z: 14 13.774 1.933 0.593 0.491 0.846 0.462 CA 1.479 Z: 10 20.554 2.041 0.692 0.725 1.000 0.778 CB 1.620 Z: 69 41.457 1.974 0.765 0.563 0.926 0.603 CB 1.465 68 residues pruned to eliminate duplicates Z: 29 18.913 1.863 0.787 0.525 0.857 0.536 CB 1.222 29 residues pruned to eliminate duplicates Z: 26 24.958 1.874 0.684 0.695 1.000 0.840 CB 1.324 17 residues pruned to eliminate duplicates Z: 13 15.134 1.678 0.511 0.840 1.000 0.667 CA 1.287 13 residues pruned to eliminate duplicates Z: 13 8.745 1.848 0.210 0.443 0.917 0.417 CB 1.307 13 residues pruned to eliminate duplicates Z: 63 37.891 1.930 0.762 0.567 0.952 0.581 CB 1.393 60 residues pruned to eliminate duplicates Z: 42 24.416 2.105 0.592 0.359 0.902 0.537 CB 1.467 42 residues pruned to eliminate duplicates Z: 13 17.773 1.836 0.690 0.760 0.917 0.833 CB 1.432 11 residues pruned to eliminate duplicates Z: 9 17.513 1.881 0.656 0.840 1.000 0.875 CA 1.483 9 residues pruned to eliminate duplicates Z: 13 23.998 1.955 1.242 0.939 1.000 0.583 CB 1.098 13 residues pruned to eliminate duplicates Z: 8 5.676 1.726 0.412 0.580 0.857 0.857 N 0.951 Z: 40 23.266 1.882 0.531 0.575 0.923 0.513 CB 1.302 40 residues pruned to eliminate duplicates Z: 17 24.091 2.021 0.710 0.884 0.938 0.688 CB 1.343 17 residues pruned to eliminate duplicates Z: 10 8.481 1.807 0.384 0.560 0.889 0.556 CB 1.200 10 residues pruned to eliminate duplicates Z: 38 28.378 1.883 0.646 0.670 0.946 0.568 CB 1.360 38 residues pruned to eliminate duplicates Z: 19 32.070 1.986 0.844 0.887 1.000 0.833 CB 1.487 19 residues pruned to eliminate duplicates Z: 60 39.299 1.953 0.711 0.708 0.966 0.661 CB 1.312 59 residues pruned to eliminate duplicates Z: 24 21.177 1.934 0.556 0.648 0.913 0.696 CB 1.400 22 residues pruned to eliminate duplicates Z: 7 5.282 1.819 0.413 0.336 0.833 0.667 CB 1.204 Z: 18 20.427 1.894 0.593 0.900 1.000 0.941 CB 1.173 18 residues pruned to eliminate duplicates Z: 26 22.998 1.968 0.661 0.551 0.880 0.520 CB 1.520 26 residues pruned to eliminate duplicates Z: 39 19.611 1.829 0.410 0.494 0.947 0.605 CB 1.309 39 residues pruned to eliminate duplicates Z: 37 18.328 1.844 0.445 0.456 0.917 0.639 CB 1.307 37 residues pruned to eliminate duplicates Z: 8 8.893 1.958 0.062 0.808 1.000 0.857 CB 1.235 Z: 11 14.245 1.674 0.668 0.841 1.000 0.800 CB 1.203 11 residues pruned to eliminate duplicates Z: 68 38.391 2.002 0.595 0.581 0.940 0.642 CB 1.445 69 residues pruned to eliminate duplicates Z: 12 17.840 1.849 0.676 0.682 0.909 0.727 CB 1.615 Z: 13 15.927 1.760 0.842 0.757 1.000 0.667 CB 1.129 13 residues pruned to eliminate duplicates Z: 38 25.017 2.138 0.612 0.339 0.946 0.730 CB 1.503 38 residues pruned to eliminate duplicates Z: 9 6.022 2.028 0.161 0.457 1.000 0.500 CB 0.944 9 residues pruned to eliminate duplicates Z: 10 8.350 1.864 0.613 0.385 0.889 0.444 CB 1.176 10 residues pruned to eliminate duplicates Z: 16 16.309 1.793 0.407 0.913 1.000 0.933 CA 1.181 16 residues pruned to eliminate duplicates Z: 15 24.613 1.894 0.748 0.887 1.000 0.929 CA 1.432 15 residues pruned to eliminate duplicates Z: 16 24.261 2.079 0.727 0.826 0.867 0.533 CB 1.518 16 residues pruned to eliminate duplicates Z: 40 21.260 2.006 0.624 0.356 0.846 0.590 CB 1.442 43 residues pruned to eliminate duplicates Z: 13 21.896 1.909 0.871 0.704 0.917 0.750 N 1.604 13 residues pruned to eliminate duplicates Z: 58 38.527 1.983 0.797 0.602 0.947 0.579 CB 1.372 58 residues pruned to eliminate duplicates Z: 9 11.827 1.859 0.393 0.831 0.875 0.875 CB 1.386 10 residues pruned to eliminate duplicates Z: 8 8.738 1.983 0.562 0.370 0.857 0.571 CB 1.430 8 residues pruned to eliminate duplicates Z: 11 18.856 1.918 0.558 0.843 1.000 0.700 CA 1.486 12 residues pruned to eliminate duplicates Z: 17 16.961 1.868 0.386 0.867 1.000 0.750 CA 1.197 17 residues pruned to eliminate duplicates Z: 16 18.898 1.944 0.546 0.627 1.000 0.533 CB 1.441 11 residues pruned to eliminate duplicates Z: 17 19.296 1.863 0.594 0.936 1.000 0.812 CB 1.131 17 residues pruned to eliminate duplicates Z: 16 20.105 1.918 0.550 0.873 1.000 0.733 CA 1.272 16 residues pruned to eliminate duplicates Z: 11 15.599 1.912 0.642 0.827 0.800 0.600 CB 1.480 11 residues pruned to eliminate duplicates Z: 8 8.897 1.718 0.341 0.886 1.000 1.000 CB 1.054 Z: 20 17.027 1.768 0.434 0.894 1.000 0.789 CB 1.106 20 residues pruned to eliminate duplicates Z: 49 34.572 1.879 0.728 0.641 0.917 0.667 CB 1.469 51 residues pruned to eliminate duplicates Z: 7 3.452 1.613 0.371 0.518 0.833 0.667 CB 0.751 7 residues pruned to eliminate duplicates Z: 39 20.839 1.996 0.527 0.370 0.868 0.632 CB 1.468 39 residues pruned to eliminate duplicates Z: 23 15.945 1.854 0.660 0.499 0.818 0.273 CB 1.351 23 residues pruned to eliminate duplicates Z: 18 22.435 1.821 0.737 0.863 0.941 0.529 CB 1.341 18 residues pruned to eliminate duplicates Z: 7 5.808 1.857 0.069 0.635 1.000 0.833 CB 1.052 Z: 15 14.594 1.775 0.515 0.506 0.929 0.500 CA 1.553 15 residues pruned to eliminate duplicates Z: 74 34.166 2.038 0.654 0.440 0.890 0.589 CB 1.418 74 residues pruned to eliminate duplicates Z: 12 4.864 1.778 0.229 0.614 0.727 0.545 CB 0.828 9 residues pruned to eliminate duplicates Z: 27 18.211 1.926 0.640 0.525 0.923 0.654 CA 1.195 15 residues pruned to eliminate duplicates Z: 11 9.459 1.773 0.374 0.576 0.900 0.600 CB 1.268 Z: 22 17.794 1.906 0.549 0.645 1.000 0.714 CB 1.149 4 residues pruned to eliminate duplicates Z: 15 16.977 1.896 0.656 0.697 0.929 0.500 CB 1.300 15 residues pruned to eliminate duplicates Z: 35 18.758 1.900 0.504 0.415 0.853 0.500 CB 1.442 41 residues pruned to eliminate duplicates Z: 18 24.222 1.953 0.658 0.901 0.941 0.706 CB 1.376 18 residues pruned to eliminate duplicates Z: 13 5.211 1.668 0.296 0.538 0.750 0.667 CB 0.894 Z: 16 24.057 1.984 0.587 0.935 1.000 1.000 CB 1.375 17 residues pruned to eliminate duplicates Z: 21 10.975 1.842 0.443 0.348 0.800 0.450 CB 1.361 21 residues pruned to eliminate duplicates Z: 13 14.644 1.715 0.622 0.817 0.917 0.500 CB 1.259 13 residues pruned to eliminate duplicates Z: 16 9.479 1.560 0.597 0.446 0.867 0.600 CB 1.199 16 residues pruned to eliminate duplicates Z: 18 13.240 1.784 0.518 0.469 0.882 0.471 CB 1.387 11 residues pruned to eliminate duplicates Z: 7 6.125 1.843 0.476 0.559 1.000 0.667 CB 0.868 Z: 20 25.808 1.933 0.826 0.827 1.000 0.579 CB 1.264 20 residues pruned to eliminate duplicates Z: 10 2.908 1.868 0.313 0.116 0.556 0.444 CB 1.154 10 residues pruned to eliminate duplicates Z: 9 2.506 1.390 0.263 0.281 0.625 0.375 CB 1.034 Z: 15 19.153 1.941 0.637 0.927 0.929 0.714 CB 1.216 15 residues pruned to eliminate duplicates Z: 9 13.216 1.550 0.853 0.838 1.000 0.750 CB 1.216 Z: 34 15.006 1.868 0.400 0.420 0.848 0.545 CB 1.281 34 residues pruned to eliminate duplicates Z: 15 23.823 1.895 0.955 0.918 1.000 0.571 CB 1.211 15 residues pruned to eliminate duplicates Z: 16 11.078 1.797 0.293 0.612 0.933 0.667 CB 1.186 16 residues pruned to eliminate duplicates Z: 54 28.197 1.926 0.607 0.507 0.925 0.585 CB 1.344 52 residues pruned to eliminate duplicates Z: 12 16.582 1.920 0.725 0.594 0.909 0.545 N 1.517 18 residues pruned to eliminate duplicates Z: 63 22.485 1.867 0.601 0.351 0.887 0.484 CB 1.266 64 residues pruned to eliminate duplicates Z: 16 23.206 1.988 0.573 0.896 1.000 0.800 CA 1.372 16 residues pruned to eliminate duplicates Z: 18 23.246 2.010 0.723 0.897 0.882 0.588 CB 1.320 18 residues pruned to eliminate duplicates Z: 41 21.834 1.829 0.674 0.589 0.900 0.625 CB 1.151 41 residues pruned to eliminate duplicates Z: 11 4.254 1.681 0.148 0.385 0.900 0.400 CB 0.875 Z: 15 19.149 1.929 0.343 0.934 1.000 0.929 CA 1.377 15 residues pruned to eliminate duplicates Z: 20 24.338 1.959 0.664 0.864 1.000 0.789 CA 1.256 20 residues pruned to eliminate duplicates Z: 9 4.969 1.514 0.417 0.536 0.750 0.500 CB 1.055 Z: 29 22.236 1.976 0.463 0.583 0.929 0.750 CB 1.445 29 residues pruned to eliminate duplicates Z: 20 15.442 1.741 0.556 0.645 0.947 0.632 CB 1.205 21 residues pruned to eliminate duplicates Z: 34 18.640 1.863 0.517 0.494 0.909 0.515 CB 1.271 34 residues pruned to eliminate duplicates Z: 7 4.257 1.718 0.711 0.239 0.667 0.333 N 1.201 Z: 18 14.327 1.979 0.563 0.465 0.824 0.353 CB 1.413 18 residues pruned to eliminate duplicates Z: 7 7.662 1.966 0.524 0.839 1.000 0.667 CB 0.780 7 residues pruned to eliminate duplicates Z: 10 9.062 1.679 0.225 0.562 1.000 0.556 CB 1.382 10 residues pruned to eliminate duplicates Z: 42 21.464 2.004 0.630 0.361 0.878 0.585 CB 1.359 42 residues pruned to eliminate duplicates Z: 18 17.162 1.857 0.237 0.890 1.000 0.824 CB 1.303 18 residues pruned to eliminate duplicates Z: 52 26.456 2.072 0.617 0.375 0.863 0.490 CB 1.464 52 residues pruned to eliminate duplicates Z: 14 11.938 1.860 0.602 0.393 0.846 0.538 CB 1.471 12 residues pruned to eliminate duplicates Z: 12 19.228 1.868 0.837 0.739 0.909 0.727 CA 1.499 12 residues pruned to eliminate duplicates Z: 12 2.375 1.491 0.249 0.268 0.636 0.182 CB 0.787 12 residues pruned to eliminate duplicates Z: 7 2.776 1.505 0.257 0.408 0.833 0.500 CB 0.792 Z: 6 3.275 1.607 0.093 0.472 0.800 0.800 N 1.071 Z: 31 19.959 1.881 0.405 0.579 1.000 0.633 CB 1.278 31 residues pruned to eliminate duplicates Z: 25 14.125 1.989 0.579 0.342 0.833 0.542 CB 1.308 25 residues pruned to eliminate duplicates Z: 21 14.420 1.627 0.332 0.812 1.000 0.750 CB 1.134 21 residues pruned to eliminate duplicates Z: 14 10.728 1.789 0.252 0.541 0.923 0.692 CB 1.382 14 residues pruned to eliminate duplicates Z: 20 12.344 1.818 0.312 0.457 0.842 0.474 CB 1.473 20 residues pruned to eliminate duplicates Z: 42 30.075 1.973 0.701 0.601 0.927 0.732 CB 1.372 42 residues pruned to eliminate duplicates Z: 19 22.084 1.926 0.585 0.833 0.944 0.667 CA 1.355 19 residues pruned to eliminate duplicates Z: 19 29.715 1.969 0.856 0.895 1.000 0.667 CB 1.374 19 residues pruned to eliminate duplicates Z: 27 13.668 1.850 0.487 0.405 0.846 0.500 CB 1.273 27 residues pruned to eliminate duplicates Z: 12 10.220 1.653 0.244 0.805 1.000 0.636 CA 1.148 12 residues pruned to eliminate duplicates Z: 16 24.475 1.990 0.662 0.887 1.000 0.800 CA 1.377 16 residues pruned to eliminate duplicates Z: 19 20.510 1.813 0.695 0.761 0.944 0.500 CB 1.322 19 residues pruned to eliminate duplicates Z: 35 19.267 1.886 0.592 0.477 0.853 0.559 CB 1.321 27 residues pruned to eliminate duplicates Z: 70 42.607 1.974 0.822 0.582 0.913 0.623 CB 1.444 72 residues pruned to eliminate duplicates Z: 9 11.406 2.012 0.633 0.452 0.875 0.625 CB 1.472 9 residues pruned to eliminate duplicates Z: 20 9.752 1.750 0.465 0.413 0.789 0.579 CB 1.211 Z: 17 21.498 1.849 0.589 0.932 1.000 0.750 CB 1.277 17 residues pruned to eliminate duplicates Z: 16 9.733 1.933 0.332 0.335 0.800 0.600 CB 1.462 16 residues pruned to eliminate duplicates Z: 18 25.649 2.012 0.655 0.894 1.000 0.588 CB 1.340 18 residues pruned to eliminate duplicates Z: 20 26.138 1.958 0.849 0.890 0.947 0.737 CB 1.258 20 residues pruned to eliminate duplicates Z: 14 13.361 1.823 0.295 0.716 1.000 0.692 CA 1.292 14 residues pruned to eliminate duplicates Z: 6 3.994 1.809 0.536 0.365 0.600 0.600 N 1.238 Z: 13 10.385 1.571 0.650 0.656 1.000 0.833 CB 1.000 Z: 7 5.990 1.569 0.767 0.843 0.833 0.500 CB 0.788 Z: 15 24.574 1.863 0.806 0.910 1.000 0.857 CA 1.384 15 residues pruned to eliminate duplicates Z: 15 18.488 1.928 0.403 0.922 1.000 0.929 CB 1.284 15 residues pruned to eliminate duplicates Z: 9 13.742 1.694 0.549 0.880 1.000 0.750 CA 1.342 9 residues pruned to eliminate duplicates Z: 10 4.772 1.523 0.653 0.278 0.667 0.444 CB 1.219 7 residues pruned to eliminate duplicates Z: 12 13.383 1.948 0.594 0.463 0.909 0.727 CB 1.484 12 residues pruned to eliminate duplicates Z: 7 3.744 1.635 0.201 0.456 0.667 0.667 CB 1.221 Z: 14 23.114 1.817 0.680 0.887 1.000 0.846 CA 1.514 14 residues pruned to eliminate duplicates Z: 10 12.718 1.658 0.543 0.846 1.000 0.778 CA 1.230 10 residues pruned to eliminate duplicates Z: 9 10.839 1.580 0.567 0.866 1.000 0.750 N 1.133 Z: 10 13.541 1.680 0.532 0.865 1.000 0.778 CA 1.285 10 residues pruned to eliminate duplicates Z: 9 8.561 1.820 0.376 0.549 0.875 0.625 CB 1.317 Z: 12 19.467 1.749 0.965 0.827 1.000 0.818 CB 1.287 14 residues pruned to eliminate duplicates Z: 15 22.657 1.877 0.602 0.913 0.929 0.643 CA 1.535 15 residues pruned to eliminate duplicates Z: 14 14.760 1.763 0.375 0.914 0.923 0.923 CA 1.294 14 residues pruned to eliminate duplicates Z: 18 18.335 1.802 0.415 0.893 1.000 0.706 CB 1.252 18 residues pruned to eliminate duplicates Z: 20 12.359 1.779 0.434 0.418 0.789 0.474 CB 1.533 20 residues pruned to eliminate duplicates Z: 50 29.198 1.959 0.497 0.553 1.000 0.714 CB 1.351 50 residues pruned to eliminate duplicates Z: 37 21.541 1.849 0.605 0.448 0.972 0.528 CB 1.313 37 residues pruned to eliminate duplicates Z: 26 28.317 1.990 0.790 0.575 0.920 0.680 CB 1.608 29 residues pruned to eliminate duplicates Z: 21 13.836 1.854 0.642 0.393 0.800 0.450 CB 1.423 14 residues pruned to eliminate duplicates Z: 8 6.709 1.618 0.407 0.573 1.000 0.714 CB 1.038 Z: 26 11.508 1.829 0.421 0.318 0.840 0.480 CB 1.288 26 residues pruned to eliminate duplicates Z: 20 22.844 1.902 0.597 0.842 0.947 0.842 CB 1.357 20 residues pruned to eliminate duplicates Z: 15 27.987 1.891 1.042 0.879 0.929 0.571 N 1.513 14 residues pruned to eliminate duplicates Z: 11 14.736 1.800 0.686 0.803 0.900 0.800 CB 1.309 11 residues pruned to eliminate duplicates Z: 39 25.191 1.882 0.761 0.598 0.895 0.421 CB 1.254 39 residues pruned to eliminate duplicates Z: 12 19.796 1.809 0.832 0.909 1.000 0.909 CA 1.278 12 residues pruned to eliminate duplicates Z: 14 8.789 1.793 0.572 0.336 0.846 0.462 CB 1.222 14 residues pruned to eliminate duplicates Z: 8 5.734 1.773 0.604 0.443 0.571 0.429 CB 1.414 Z: 6 4.563 1.336 0.871 0.692 0.800 0.400 N 0.856 Z: 6 3.584 1.451 0.359 0.822 1.000 0.600 CA 0.615 6 residues pruned to eliminate duplicates Z: 12 9.997 1.935 0.587 0.387 0.818 0.636 CA 1.352 12 residues pruned to eliminate duplicates Z: 11 6.118 1.730 0.295 0.467 0.800 0.500 CB 1.117 11 residues pruned to eliminate duplicates Z: 17 8.317 1.624 0.592 0.455 0.812 0.438 CB 1.037 11 residues pruned to eliminate duplicates Z: 8 5.906 1.601 0.432 0.432 0.857 0.571 CB 1.219 8 residues pruned to eliminate duplicates Z: 16 15.820 1.843 0.278 0.919 1.000 0.867 CA 1.222 16 residues pruned to eliminate duplicates Z: 20 11.172 1.817 0.448 0.429 0.789 0.526 CA 1.328 20 residues pruned to eliminate duplicates Z: 10 8.270 1.555 0.168 0.803 1.000 0.889 CB 1.164 10 residues pruned to eliminate duplicates Z: 13 6.019 1.504 0.502 0.281 0.833 0.417 CB 1.182 Z: 22 13.244 1.984 0.640 0.267 0.857 0.381 CA 1.351 24 residues pruned to eliminate duplicates Z: 14 12.091 1.809 0.746 0.590 0.846 0.462 CB 1.152 14 residues pruned to eliminate duplicates Z: 11 25.018 1.868 0.953 0.810 1.000 0.900 CA 1.656 12 residues pruned to eliminate duplicates Z: 13 12.390 1.889 0.451 0.413 1.000 0.667 CB 1.429 13 residues pruned to eliminate duplicates Z: 6 3.082 1.349 0.186 0.444 0.800 0.400 CA 1.141 Z: 28 16.960 1.897 0.518 0.428 0.815 0.444 CB 1.499 28 residues pruned to eliminate duplicates Z: 16 17.195 1.984 0.577 0.890 0.933 0.867 CB 1.094 16 residues pruned to eliminate duplicates Z: 29 28.826 1.987 0.682 0.741 0.964 0.679 CB 1.362 29 residues pruned to eliminate duplicates Z: 11 11.822 1.835 0.715 0.471 0.800 0.600 N 1.530 11 residues pruned to eliminate duplicates Z: 36 15.019 1.922 0.536 0.287 0.800 0.343 CB 1.366 36 residues pruned to eliminate duplicates Z: 9 9.513 1.979 0.457 0.541 0.750 0.500 N 1.494 9 residues pruned to eliminate duplicates 6 1.840 1.238 0.275 0.433 0.800 0.400 N 0.698 ? Z: 14 11.467 1.669 0.317 0.880 1.000 0.923 CB 1.048 14 residues pruned to eliminate duplicates Z: 43 22.914 2.099 0.574 0.334 0.905 0.595 CB 1.418 43 residues pruned to eliminate duplicates Z: 51 28.817 1.983 0.488 0.508 0.960 0.580 CB 1.427 51 residues pruned to eliminate duplicates Z: 8 5.043 1.372 0.773 0.680 0.714 0.571 CA 0.929 8 residues pruned to eliminate duplicates Z: 36 18.646 2.046 0.552 0.360 0.800 0.571 CB 1.442 19 residues pruned to eliminate duplicates Z: 8 7.452 1.626 0.414 0.901 1.000 1.000 CB 0.874 Z: 7 4.556 1.673 0.315 0.536 0.833 0.833 CB 0.979 Z: 12 7.038 1.803 0.348 0.365 0.818 0.545 CB 1.235 12 residues pruned to eliminate duplicates Z: 20 23.214 1.969 0.481 0.853 1.000 0.842 CA 1.350 20 residues pruned to eliminate duplicates Z: 8 7.708 1.554 0.820 0.835 1.000 0.714 CB 0.772 8 residues pruned to eliminate duplicates Z: 27 17.526 1.919 0.436 0.536 0.962 0.731 CA 1.253 27 residues pruned to eliminate duplicates Z: 13 22.400 1.973 1.078 0.919 0.917 0.667 CB 1.213 13 residues pruned to eliminate duplicates Z: 41 33.159 1.984 0.703 0.661 0.950 0.750 CB 1.407 41 residues pruned to eliminate duplicates Z: 9 8.039 1.442 0.673 0.791 1.000 0.625 CB 0.912 10 residues pruned to eliminate duplicates Z: 12 13.855 1.769 0.647 0.745 0.909 0.727 CB 1.266 12 residues pruned to eliminate duplicates Z: 10 4.783 1.515 0.690 0.591 0.889 0.778 CB 0.642 Z: 10 15.105 1.695 0.679 0.864 1.000 0.778 N 1.297 10 residues pruned to eliminate duplicates Z: 7 11.023 1.661 0.554 0.873 1.000 1.000 CB 1.270 7 residues pruned to eliminate duplicates Z: 11 9.247 1.610 0.365 0.740 0.900 0.500 CA 1.192 11 residues pruned to eliminate duplicates Z: 31 14.130 2.034 0.441 0.265 0.900 0.567 CB 1.278 31 residues pruned to eliminate duplicates Z: 6 7.060 1.783 0.444 0.703 1.000 0.600 CB 1.020 6 residues pruned to eliminate duplicates Z: 6 7.606 1.767 0.544 0.879 1.000 1.000 CB 0.905 6 residues pruned to eliminate duplicates Z: 15 23.570 1.927 0.759 0.940 1.000 0.929 CB 1.290 15 residues pruned to eliminate duplicates Z: 6 5.877 1.591 0.223 0.718 1.000 0.600 CA 1.108 6 residues pruned to eliminate duplicates Z: 9 8.206 1.819 0.442 0.546 0.875 0.625 CA 1.208 9 residues pruned to eliminate duplicates Z: 9 9.243 1.773 0.339 0.774 0.750 0.750 CB 1.440 9 residues pruned to eliminate duplicates Z: 6 4.895 1.641 0.597 0.467 0.800 0.600 N 1.081 6 residues pruned to eliminate duplicates Z: 7 5.144 1.503 0.241 0.828 0.833 0.833 CA 1.018 7 residues pruned to eliminate duplicates Z: 15 19.456 2.001 1.018 0.953 1.000 0.929 CB 0.887 15 residues pruned to eliminate duplicates Z: 20 27.748 1.956 0.781 0.841 0.947 0.579 CB 1.438 20 residues pruned to eliminate duplicates Z: 9 14.756 1.803 0.624 0.763 1.000 0.750 CB 1.411 9 residues pruned to eliminate duplicates Z: 36 18.954 1.839 0.424 0.489 0.886 0.629 CB 1.397 36 residues pruned to eliminate duplicates Z: 25 19.540 1.870 0.424 0.718 0.958 0.875 CB 1.283 25 residues pruned to eliminate duplicates Z: 6 3.717 1.249 0.512 0.566 0.800 0.600 CA 1.032 Z: 13 15.655 1.848 0.642 0.544 0.917 0.667 CB 1.556 13 residues pruned to eliminate duplicates Z: 11 4.610 1.483 0.440 0.251 0.900 0.400 CB 1.010 11 residues pruned to eliminate duplicates Z: 12 6.156 1.592 0.094 0.697 0.909 0.455 CB 0.980 Z: 19 12.675 1.811 0.316 0.633 0.778 0.667 CB 1.423 Z: 16 18.827 1.820 0.467 0.926 0.933 0.933 CA 1.368 16 residues pruned to eliminate duplicates Z: 9 9.634 1.864 0.419 0.668 1.000 0.625 CB 1.102 Z: 18 22.609 1.980 0.721 0.837 0.882 0.471 CB 1.364 18 residues pruned to eliminate duplicates Z: 37 23.820 1.827 0.584 0.566 0.917 0.611 CB 1.404 37 residues pruned to eliminate duplicates Z: 13 11.803 1.617 0.599 0.875 1.000 0.750 CB 0.958 6 residues pruned to eliminate duplicates Z: 9 6.722 1.830 0.033 0.789 1.000 0.750 CB 0.975 Z: 16 20.367 2.046 0.434 0.828 0.933 0.733 CA 1.446 16 residues pruned to eliminate duplicates Z: 32 14.849 1.836 0.578 0.360 0.839 0.581 CB 1.276 32 residues pruned to eliminate duplicates Z: 16 22.760 1.979 0.714 0.935 1.000 0.800 CB 1.207 16 residues pruned to eliminate duplicates 6 0.918 1.119 0.371 0.349 0.400 0.200 O 0.788 ? Z: 6 3.683 1.437 0.179 0.655 1.000 0.800 CB 0.841 Z: 6 4.605 1.478 0.091 0.620 1.000 0.800 CB 1.140 Z: 18 8.069 1.821 0.482 0.305 0.824 0.529 CB 1.093 18 residues pruned to eliminate duplicates Z: 10 22.626 1.946 1.268 0.679 0.889 0.667 N 1.630 10 residues pruned to eliminate duplicates Z: 13 4.475 1.698 0.106 0.494 0.750 0.500 CB 0.923 13 residues pruned to eliminate duplicates Z: 7 2.373 1.485 0.242 0.344 0.667 0.667 CB 0.933 Z: 19 22.578 1.832 0.709 0.871 1.000 0.278 CB 1.240 19 residues pruned to eliminate duplicates Z: 8 4.059 1.606 -0.104 0.814 1.000 0.857 CB 0.812 Z: 15 15.889 1.914 0.584 0.847 1.000 0.929 CB 1.040 15 residues pruned to eliminate duplicates Z: 18 11.050 1.597 0.698 0.445 0.882 0.412 CB 1.186 18 residues pruned to eliminate duplicates Z: 27 22.395 1.839 0.501 0.668 0.962 0.731 N 1.416 27 residues pruned to eliminate duplicates Z: 6 6.979 1.770 0.493 0.841 0.800 0.600 CB 1.101 6 residues pruned to eliminate duplicates Z: 19 13.827 1.925 0.434 0.476 0.889 0.611 CB 1.361 28 residues pruned to eliminate duplicates Z: 35 19.571 1.874 0.630 0.634 0.941 0.559 CB 1.030 35 residues pruned to eliminate duplicates Z: 7 3.800 1.502 0.657 0.470 0.833 0.500 CB 0.771 Z: 6 10.411 1.754 0.478 0.729 1.000 0.800 CA 1.462 6 residues pruned to eliminate duplicates Z: 31 21.631 1.835 0.648 0.670 0.900 0.633 CB 1.240 31 residues pruned to eliminate duplicates Z: 8 5.301 1.799 -0.024 0.681 1.000 0.571 CB 0.965 Z: 7 2.586 1.452 0.267 0.213 0.667 0.333 CB 1.206 7 residues pruned to eliminate duplicates Z: 10 7.204 1.686 0.396 0.590 0.889 0.778 CA 1.053 8 residues pruned to eliminate duplicates Z: 45 23.374 2.031 0.445 0.465 0.841 0.614 CB 1.480 50 residues pruned to eliminate duplicates 6 1.677 1.087 0.368 0.653 0.600 0.600 N 0.729 ? Z: 14 5.310 1.586 0.186 0.437 0.846 0.462 CB 0.988 14 residues pruned to eliminate duplicates Z: 48 20.086 1.819 0.582 0.522 0.894 0.532 CB 1.115 48 residues pruned to eliminate duplicates Z: 15 11.558 1.765 0.408 0.534 1.000 0.500 CB 1.203 15 residues pruned to eliminate duplicates Z: 16 18.091 1.815 0.719 0.879 0.867 0.467 CB 1.253 16 residues pruned to eliminate duplicates Z: 57 27.255 2.006 0.527 0.435 0.911 0.518 CB 1.397 57 residues pruned to eliminate duplicates Z: 57 43.812 1.986 0.869 0.664 0.946 0.571 CB 1.431 65 residues pruned to eliminate duplicates Z: 10 9.418 1.702 0.577 0.760 0.667 0.333 N 1.392 10 residues pruned to eliminate duplicates Z: 58 24.720 1.985 0.476 0.376 0.912 0.667 CB 1.398 58 residues pruned to eliminate duplicates Z: 16 16.972 1.817 0.296 0.935 1.000 0.800 CA 1.297 16 residues pruned to eliminate duplicates Z: 6 5.371 1.259 0.577 0.854 1.000 1.000 O 0.894 6 residues pruned to eliminate duplicates Z: 21 10.533 1.583 0.441 0.732 0.800 0.450 CB 1.048 21 residues pruned to eliminate duplicates Z: 9 8.784 1.407 0.656 0.879 0.875 0.750 CB 1.105 9 residues pruned to eliminate duplicates Z: 8 7.648 1.679 0.486 0.622 0.857 0.714 CA 1.205 8 residues pruned to eliminate duplicates Z: 9 10.748 1.922 0.394 0.670 1.000 0.750 CA 1.213 9 residues pruned to eliminate duplicates Z: 19 20.946 1.940 0.436 0.835 1.000 0.833 CB 1.328 19 residues pruned to eliminate duplicates Z: 13 14.993 1.717 0.492 0.857 1.000 0.833 CA 1.245 13 residues pruned to eliminate duplicates Z: 19 18.569 1.864 0.497 0.638 1.000 0.778 CA 1.378 19 residues pruned to eliminate duplicates Z: 16 20.230 1.896 0.548 0.871 0.933 0.933 CB 1.390 16 residues pruned to eliminate duplicates Z: 16 17.627 1.826 0.294 0.933 1.000 0.933 CA 1.343 16 residues pruned to eliminate duplicates Z: 13 7.252 1.707 0.350 0.499 0.917 0.833 CB 0.992 14 residues pruned to eliminate duplicates Z: 33 21.771 1.816 0.631 0.673 0.969 0.625 CB 1.143 33 residues pruned to eliminate duplicates Z: 6 2.341 1.305 0.742 0.321 0.600 0.400 CB 0.935 Z: 9 14.604 1.845 0.497 0.786 1.000 0.875 CB 1.454 9 residues pruned to eliminate duplicates Z: 7 4.619 1.513 0.515 0.424 0.833 0.667 CB 1.069 Z: 7 7.405 1.974 -0.045 0.777 1.000 0.667 CB 1.256 7 residues pruned to eliminate duplicates Z: 8 4.681 1.561 1.004 0.431 0.714 0.429 CB 0.851 Z: 9 6.075 1.430 0.619 0.877 1.000 0.875 CB 0.674 9 residues pruned to eliminate duplicates Z: 7 3.528 1.637 0.184 0.257 0.833 0.333 CB 1.179 6 residues pruned to eliminate duplicates Z: 20 18.637 1.761 0.674 0.815 0.947 0.632 CB 1.165 20 residues pruned to eliminate duplicates Z: 11 6.569 1.411 0.788 0.380 0.900 0.500 CB 1.040 Z: 16 6.678 1.571 0.301 0.401 0.867 0.533 CA 1.080 16 residues pruned to eliminate duplicates Z: 16 25.060 1.819 0.775 0.916 1.000 0.533 CA 1.416 16 residues pruned to eliminate duplicates Z: 17 24.822 1.841 1.095 0.941 1.000 0.625 CB 1.116 16 residues pruned to eliminate duplicates Z: 18 10.511 1.746 0.419 0.328 0.882 0.471 CB 1.409 18 residues pruned to eliminate duplicates Z: 13 7.842 1.707 0.480 0.463 0.833 0.417 CB 1.117 13 residues pruned to eliminate duplicates Z: 14 11.368 1.661 0.674 0.873 1.000 0.769 CB 0.826 14 residues pruned to eliminate duplicates Z: 15 14.185 1.753 0.459 0.637 1.000 0.714 CB 1.304 15 residues pruned to eliminate duplicates Z: 18 21.499 1.944 0.615 0.784 0.882 0.647 CB 1.467 18 residues pruned to eliminate duplicates Z: 9 8.636 1.410 0.427 0.853 1.000 0.625 CB 1.121 9 residues pruned to eliminate duplicates Z: 8 11.061 1.602 0.749 0.821 1.000 0.714 CB 1.129 8 residues pruned to eliminate duplicates Z: 20 21.871 1.778 0.924 0.935 0.947 0.316 CB 1.079 20 residues pruned to eliminate duplicates Z: 19 9.188 1.822 0.716 0.342 0.833 0.389 CB 0.987 19 residues pruned to eliminate duplicates 6 1.106 1.090 0.166 0.375 0.800 0.400 C 0.556 ? Z: 41 31.017 1.990 0.666 0.615 0.925 0.750 CB 1.434 41 residues pruned to eliminate duplicates Z: 13 12.013 1.672 0.399 0.693 0.917 0.750 N 1.356 13 residues pruned to eliminate duplicates Z: 41 15.492 1.860 0.452 0.397 0.875 0.500 CB 1.155 36 residues pruned to eliminate duplicates Z: 6 4.685 1.747 0.309 0.446 0.600 0.600 N 1.614 Z: 13 5.181 1.692 0.394 0.313 0.750 0.500 CB 1.040 13 residues pruned to eliminate duplicates Z: 35 19.136 2.093 0.486 0.365 0.882 0.500 CB 1.382 35 residues pruned to eliminate duplicates Z: 12 6.066 1.676 0.459 0.438 0.818 0.455 N 0.974 8 residues pruned to eliminate duplicates Z: 10 7.096 1.728 0.380 0.451 0.889 0.333 CB 1.174 14 residues pruned to eliminate duplicates Z: 10 6.600 1.627 0.486 0.280 0.889 0.556 CB 1.313 10 residues pruned to eliminate duplicates Z: 54 30.407 1.921 0.706 0.571 0.887 0.679 CB 1.342 64 residues pruned to eliminate duplicates Z: 18 19.203 1.840 0.339 0.920 1.000 0.824 CB 1.332 18 residues pruned to eliminate duplicates Z: 20 21.660 1.746 0.900 0.865 0.895 0.579 CB 1.227 20 residues pruned to eliminate duplicates Z: 18 8.503 1.768 0.345 0.416 0.765 0.353 CB 1.238 18 residues pruned to eliminate duplicates Z: 11 7.798 1.719 0.504 0.751 0.900 0.700 CB 0.847 11 residues pruned to eliminate duplicates Z: 16 28.080 1.827 1.027 0.935 1.000 0.867 CA 1.365 16 residues pruned to eliminate duplicates Z: 8 5.170 1.489 0.357 0.471 0.857 0.429 CB 1.163 7 residues pruned to eliminate duplicates Z: 41 23.397 2.113 0.657 0.346 0.875 0.675 CB 1.428 41 residues pruned to eliminate duplicates Z: 11 12.934 1.679 0.694 0.643 0.900 0.600 CA 1.397 11 residues pruned to eliminate duplicates Z: 9 9.137 1.656 0.544 0.550 1.000 0.750 CB 1.203 9 residues pruned to eliminate duplicates Z: 31 27.543 1.941 0.764 0.684 0.933 0.667 CB 1.329 31 residues pruned to eliminate duplicates Z: 6 2.185 1.289 0.526 0.713 0.800 0.400 C 0.512 Z: 7 3.510 1.831 -0.036 0.637 0.833 0.667 CB 0.857 Z: 18 11.314 1.795 0.506 0.370 0.882 0.706 CB 1.322 18 residues pruned to eliminate duplicates Z: 16 17.918 1.943 0.685 0.847 1.000 0.800 CB 1.048 16 residues pruned to eliminate duplicates Z: 10 11.209 1.729 0.499 0.644 0.889 0.667 CA 1.418 10 residues pruned to eliminate duplicates Z: 9 18.869 1.828 0.789 0.870 1.000 0.875 CA 1.489 9 residues pruned to eliminate duplicates Z: 13 10.419 1.709 0.533 0.599 1.000 0.750 CB 1.044 8 residues pruned to eliminate duplicates Z: 9 12.996 1.688 0.710 0.812 1.000 0.625 N 1.214 9 residues pruned to eliminate duplicates Z: 9 7.623 1.598 0.797 0.815 1.000 0.750 CB 0.714 8 residues pruned to eliminate duplicates Z: 7 6.954 2.078 0.045 0.571 1.000 0.667 CB 1.221 7 residues pruned to eliminate duplicates Z: 16 18.073 1.938 0.411 0.833 1.000 0.733 CA 1.280 16 residues pruned to eliminate duplicates Z: 6 2.163 1.331 0.767 0.299 0.600 0.600 CB 0.858 Z: 7 5.102 1.684 0.247 0.361 1.000 0.500 CA 1.153 Z: 7 2.693 1.388 0.423 0.363 0.667 0.500 CA 0.967 Z: 32 16.200 1.878 0.593 0.487 0.903 0.613 CB 1.091 32 residues pruned to eliminate duplicates Z: 13 9.907 1.641 0.464 0.590 0.917 0.583 CB 1.191 9 residues pruned to eliminate duplicates Z: 16 25.557 1.926 0.842 0.933 1.000 0.600 CB 1.298 16 residues pruned to eliminate duplicates Z: 9 4.813 1.556 0.337 0.365 0.875 0.625 CB 1.081 Z: 7 3.850 1.590 0.238 0.627 0.833 0.667 CB 0.850 Z: 10 6.475 1.449 0.576 0.520 1.000 0.667 CB 0.926 10 residues pruned to eliminate duplicates Z: 8 9.155 1.726 0.402 0.604 1.000 0.571 CB 1.295 Z: 8 2.402 1.445 0.287 0.190 0.714 0.286 CB 0.991 Z: 9 5.569 1.617 0.502 0.391 0.750 0.625 N 1.214 5 residues pruned to eliminate duplicates Z: 15 22.273 1.846 0.725 0.861 0.929 0.571 CA 1.479 15 residues pruned to eliminate duplicates Z: 12 2.997 1.437 0.305 0.304 0.818 0.636 CB 0.733 Z: 15 24.003 1.843 0.874 0.899 0.929 0.643 N 1.429 15 residues pruned to eliminate duplicates Z: 44 21.895 1.953 0.482 0.358 0.953 0.674 CB 1.411 44 residues pruned to eliminate duplicates Z: 6 7.046 1.517 0.177 0.791 1.000 1.000 CB 1.367 6 residues pruned to eliminate duplicates Z: 21 19.176 1.784 0.613 0.830 0.900 0.600 CB 1.246 21 residues pruned to eliminate duplicates Z: 8 7.145 1.533 0.080 0.879 1.000 0.857 O 1.183 Z: 7 9.377 1.817 0.712 0.416 1.000 0.500 N 1.344 7 residues pruned to eliminate duplicates Z: 28 20.001 1.908 0.592 0.599 0.889 0.704 CB 1.297 28 residues pruned to eliminate duplicates Z: 7 7.245 1.728 0.720 0.262 1.000 0.333 N 1.306 Z: 7 2.839 1.277 0.672 0.400 0.667 0.333 C 0.905 Z: 8 2.022 1.478 0.653 0.316 0.714 0.429 CB 0.537 4 residues pruned to eliminate duplicates Z: 9 5.005 1.298 0.296 0.709 0.875 0.750 O 0.994 9 residues pruned to eliminate duplicates Z: 48 21.960 1.926 0.451 0.460 0.936 0.638 CB 1.276 48 residues pruned to eliminate duplicates Z: 11 7.047 1.733 0.124 0.618 0.900 0.700 CB 1.138 6 residues pruned to eliminate duplicates Z: 6 3.752 1.576 0.252 0.456 1.000 1.000 CA 0.890 Z: 11 8.583 1.565 0.675 0.510 0.900 0.800 CB 1.139 11 residues pruned to eliminate duplicates Z: 14 23.770 1.905 0.815 0.839 1.000 0.615 N 1.424 14 residues pruned to eliminate duplicates Z: 7 7.289 1.509 0.558 0.690 1.000 0.833 CB 1.064 7 residues pruned to eliminate duplicates Z: 7 6.369 1.669 -0.016 0.824 1.000 0.833 CA 1.196 6 0.968 1.553 0.413 0.281 0.600 0.600 CB 0.421 ? Z: 10 3.803 1.452 0.429 0.483 0.667 0.333 CB 0.933 Z: 35 18.716 1.845 0.611 0.682 0.882 0.706 CB 1.035 35 residues pruned to eliminate duplicates Z: 6 2.921 1.571 0.864 0.615 0.400 0.400 CA 1.000 Z: 24 26.769 1.931 0.890 0.737 0.957 0.696 CB 1.293 24 residues pruned to eliminate duplicates Z: 8 6.230 1.527 0.401 0.872 0.857 0.857 CB 0.936 Z: 12 5.075 1.821 0.228 0.264 0.727 0.545 CB 1.232 12 residues pruned to eliminate duplicates Z: 6 4.772 1.590 0.283 0.589 0.800 0.600 CB 1.201 Z: 6 2.711 1.140 0.298 0.734 1.000 0.800 N 0.664 Z: 9 5.173 1.419 0.524 0.751 0.875 0.250 CB 0.773 9 residues pruned to eliminate duplicates Z: 6 4.899 1.347 0.758 0.646 0.800 0.800 CB 1.009 Z: 26 21.500 1.842 0.661 0.660 0.920 0.800 CB 1.316 26 residues pruned to eliminate duplicates Z: 8 6.740 1.509 0.496 0.867 1.000 0.714 CB 0.825 8 residues pruned to eliminate duplicates Z: 6 4.656 1.705 0.308 0.717 0.800 0.600 CB 0.960 Z: 6 4.663 1.518 0.706 0.850 0.800 0.800 CA 0.745 6 residues pruned to eliminate duplicates Z: 9 15.367 1.698 0.954 0.797 1.000 0.625 CB 1.263 9 residues pruned to eliminate duplicates Z: 7 3.625 1.699 0.423 0.724 0.500 0.333 CB 1.000 7 residues pruned to eliminate duplicates Z: 9 2.894 1.307 0.609 0.242 0.875 0.500 N 0.749 Z: 11 4.033 1.418 0.336 0.365 0.900 0.800 CB 0.865 Z: 8 6.921 1.494 0.849 0.783 1.000 0.857 CB 0.739 Z: 15 13.316 1.977 0.132 0.816 0.929 0.714 CB 1.301 15 residues pruned to eliminate duplicates Z: 10 17.808 1.694 0.777 0.876 1.000 0.778 CA 1.433 10 residues pruned to eliminate duplicates Z: 21 16.857 1.819 0.504 0.640 0.950 0.850 CB 1.272 21 residues pruned to eliminate duplicates Z: 8 3.681 1.358 0.286 0.527 0.857 0.714 CB 0.906 Z: 17 14.999 1.820 0.463 0.810 0.875 0.562 CA 1.229 17 residues pruned to eliminate duplicates Z: 10 6.964 1.700 0.192 0.812 1.000 0.889 CB 0.874 10 residues pruned to eliminate duplicates Z: 11 14.844 1.797 0.732 0.836 1.000 0.600 CA 1.129 11 residues pruned to eliminate duplicates Z: 11 10.430 1.757 0.599 0.547 0.800 0.300 CB 1.402 11 residues pruned to eliminate duplicates Z: 9 6.447 1.580 0.481 0.631 1.000 0.750 CB 0.862 7 residues pruned to eliminate duplicates Z: 13 9.031 1.603 0.602 0.906 1.000 0.917 CB 0.722 13 residues pruned to eliminate duplicates Z: 7 4.382 1.339 0.577 0.353 0.833 0.667 N 1.192 Z: 11 5.662 1.652 0.177 0.644 1.000 0.800 CB 0.805 9 residues pruned to eliminate duplicates Z: 19 8.140 1.655 0.208 0.347 0.833 0.389 N 1.360 18 residues pruned to eliminate duplicates Z: 16 6.221 1.591 0.290 0.443 0.867 0.467 CB 0.958 Z: 15 8.397 1.575 0.345 0.495 0.929 0.643 CB 1.147 9 residues pruned to eliminate duplicates Z: 16 20.134 1.847 0.703 0.909 0.933 0.867 CB 1.257 17 residues pruned to eliminate duplicates Z: 7 3.950 1.836 -0.040 0.875 1.000 1.000 CB 0.666 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds 6 1.690 1.084 0.266 0.365 1.000 0.600 N 0.636 ? Z: 13 19.392 1.967 0.575 0.896 0.917 0.667 CA 1.412 14 residues pruned to eliminate duplicates Z: 14 19.693 1.952 0.815 0.869 0.846 0.615 CB 1.330 14 residues pruned to eliminate duplicates Z: 16 20.710 1.892 0.746 0.810 1.000 0.667 CB 1.236 16 residues pruned to eliminate duplicates Z: 12 21.622 1.965 0.994 0.830 1.000 0.727 CB 1.251 12 residues pruned to eliminate duplicates Z: 15 16.589 1.845 0.928 0.734 0.857 0.571 CB 1.178 15 residues pruned to eliminate duplicates Z: 13 21.928 2.022 0.759 0.932 0.917 0.917 CB 1.356 13 residues pruned to eliminate duplicates Z: 13 19.565 2.022 0.857 0.912 0.833 0.667 CB 1.278 13 residues pruned to eliminate duplicates Z: 15 22.824 1.983 0.926 0.856 0.929 0.643 CB 1.269 15 residues pruned to eliminate duplicates Z: 15 24.464 1.964 0.940 0.917 0.929 0.714 CB 1.304 15 residues pruned to eliminate duplicates Z: 15 25.073 1.934 0.891 0.932 1.000 0.786 CB 1.279 15 residues pruned to eliminate duplicates Z: 15 19.499 1.934 0.692 0.916 0.929 0.786 CB 1.211 15 residues pruned to eliminate duplicates Z: 26 14.364 1.636 0.768 0.568 0.880 0.600 CB 1.057 26 residues pruned to eliminate duplicates Z: 15 19.731 1.898 0.867 0.845 0.857 0.714 CB 1.290 15 residues pruned to eliminate duplicates Z: 16 15.725 1.712 0.845 0.563 0.867 0.467 CB 1.395 16 residues pruned to eliminate duplicates Z: 15 29.011 1.883 0.953 0.912 1.000 0.571 CA 1.493 15 residues pruned to eliminate duplicates Z: 15 27.784 1.906 0.827 0.918 1.000 0.786 CA 1.505 15 residues pruned to eliminate duplicates Z: 15 24.588 1.893 0.696 0.914 1.000 0.786 CA 1.447 15 residues pruned to eliminate duplicates Z: 15 27.811 1.894 0.880 0.922 1.000 0.786 CA 1.468 15 residues pruned to eliminate duplicates Z: 15 28.925 1.913 0.858 0.934 1.000 0.714 N 1.517 15 residues pruned to eliminate duplicates Z: 15 25.957 1.900 0.821 0.900 0.929 0.571 CA 1.542 15 residues pruned to eliminate duplicates Z: 15 28.309 1.918 0.915 0.918 1.000 0.714 CA 1.453 15 residues pruned to eliminate duplicates Z: 15 28.935 1.907 0.893 0.922 1.000 0.643 CA 1.506 15 residues pruned to eliminate duplicates Z: 16 24.969 1.854 0.885 0.861 0.933 0.667 CA 1.453 16 residues pruned to eliminate duplicates Z: 15 27.374 1.900 0.818 0.923 1.000 0.571 CA 1.489 15 residues pruned to eliminate duplicates Z: 16 23.455 1.852 0.790 0.842 0.933 0.733 CA 1.459 16 residues pruned to eliminate duplicates Z: 15 29.964 1.912 0.931 0.922 1.000 0.786 CB 1.525 15 residues pruned to eliminate duplicates Z: 16 18.118 1.773 0.538 0.888 1.000 0.867 CA 1.236 16 residues pruned to eliminate duplicates Z: 31 30.728 1.970 0.575 0.739 0.967 0.800 CB 1.509 31 residues pruned to eliminate duplicates Z: 17 20.764 1.846 0.552 0.925 1.000 0.812 CA 1.272 17 residues pruned to eliminate duplicates Z: 19 15.427 1.707 0.616 0.626 0.944 0.611 CA 1.239 19 residues pruned to eliminate duplicates Z: 14 18.043 1.934 0.634 0.767 0.923 0.615 CA 1.354 14 residues pruned to eliminate duplicates Z: 15 23.987 1.907 0.850 0.731 1.000 0.429 CA 1.476 15 residues pruned to eliminate duplicates Z: 12 13.647 1.874 0.549 0.580 0.909 0.727 CA 1.444 12 residues pruned to eliminate duplicates Z: 16 21.513 1.821 0.776 0.680 1.000 0.600 CB 1.456 16 residues pruned to eliminate duplicates Z: 14 12.566 1.741 0.636 0.515 0.923 0.692 CB 1.305 14 residues pruned to eliminate duplicates Z: 16 16.161 1.786 0.598 0.711 0.933 0.600 CB 1.294 16 residues pruned to eliminate duplicates Z: 15 20.830 1.907 0.907 0.729 0.929 0.500 CB 1.342 15 residues pruned to eliminate duplicates Z: 31 29.689 1.957 0.635 0.708 0.967 0.667 CB 1.451 31 residues pruned to eliminate duplicates Z: 37 33.076 1.920 0.758 0.643 1.000 0.667 CB 1.429 37 residues pruned to eliminate duplicates Z: 52 22.844 1.802 0.526 0.576 0.882 0.490 CB 1.225 52 residues pruned to eliminate duplicates Z: 37 29.437 1.909 0.650 0.678 0.917 0.583 CB 1.442 37 residues pruned to eliminate duplicates Z: 33 25.488 1.938 0.639 0.623 0.906 0.656 CB 1.394 33 residues pruned to eliminate duplicates Z: 49 25.443 1.809 0.605 0.602 0.875 0.562 CB 1.312 49 residues pruned to eliminate duplicates Z: 45 26.255 1.871 0.668 0.619 0.864 0.636 CB 1.312 45 residues pruned to eliminate duplicates Z: 33 29.421 1.949 0.723 0.691 0.938 0.656 CB 1.387 33 residues pruned to eliminate duplicates Z: 33 33.685 1.940 0.724 0.758 0.969 0.719 CB 1.461 33 residues pruned to eliminate duplicates Z: 38 29.301 1.870 0.722 0.722 0.919 0.595 CB 1.332 38 residues pruned to eliminate duplicates Z: 36 24.843 1.909 0.679 0.658 0.829 0.629 CB 1.365 36 residues pruned to eliminate duplicates Z: 26 16.051 1.896 0.548 0.545 0.800 0.520 CB 1.307 26 residues pruned to eliminate duplicates Z: 37 30.874 1.934 0.681 0.704 0.972 0.556 CB 1.351 37 residues pruned to eliminate duplicates Z: 33 29.103 1.956 0.629 0.656 0.938 0.719 CB 1.490 33 residues pruned to eliminate duplicates Z: 57 31.150 1.950 0.619 0.616 0.911 0.589 CB 1.298 57 residues pruned to eliminate duplicates Z: 28 26.596 1.958 0.702 0.699 0.926 0.667 CB 1.383 28 residues pruned to eliminate duplicates Z: 20 20.376 1.995 0.664 0.621 0.895 0.632 CB 1.404 20 residues pruned to eliminate duplicates Z: 37 27.629 1.904 0.646 0.669 0.917 0.639 CB 1.371 37 residues pruned to eliminate duplicates Z: 55 25.586 1.889 0.644 0.486 0.926 0.648 CB 1.228 55 residues pruned to eliminate duplicates Z: 33 28.558 1.917 0.722 0.684 0.938 0.719 CB 1.378 33 residues pruned to eliminate duplicates Z: 46 29.675 1.883 0.719 0.629 0.933 0.644 CB 1.297 46 residues pruned to eliminate duplicates Z: 6 4.011 1.527 0.226 0.384 1.000 0.800 O 1.083 6 residues pruned to eliminate duplicates Z: 56 30.870 1.939 0.700 0.596 0.891 0.673 CB 1.293 56 residues pruned to eliminate duplicates Z: 40 27.172 1.922 0.704 0.619 0.872 0.667 CB 1.362 40 residues pruned to eliminate duplicates Z: 41 24.233 1.921 0.616 0.565 0.900 0.575 CB 1.288 41 residues pruned to eliminate duplicates Z: 62 35.605 1.924 0.660 0.665 0.934 0.639 CB 1.311 61 residues pruned to eliminate duplicates Z: 7 3.965 1.193 0.648 0.549 0.833 0.500 O 0.942 7 residues pruned to eliminate duplicates Z: 46 26.009 1.923 0.467 0.642 0.956 0.578 CB 1.259 47 residues pruned to eliminate duplicates Z: 6 4.877 1.445 0.540 0.345 1.000 0.400 CA 1.161 6 residues pruned to eliminate duplicates Z: 58 40.368 1.927 0.777 0.672 0.965 0.702 CB 1.380 58 residues pruned to eliminate duplicates Z: 6 6.791 1.753 0.368 0.467 1.000 0.400 CB 1.310 6 residues pruned to eliminate duplicates Z: 58 34.362 1.947 0.655 0.663 0.930 0.702 CB 1.306 58 residues pruned to eliminate duplicates Z: 16 28.683 2.031 0.901 0.740 1.000 0.800 CB 1.547 16 residues pruned to eliminate duplicates Z: 6 3.712 1.436 0.822 0.319 0.800 0.800 N 0.969 6 residues pruned to eliminate duplicates Z: 23 25.647 1.978 0.902 0.628 1.000 0.818 CB 1.288 23 residues pruned to eliminate duplicates Z: 16 31.032 2.028 0.970 0.744 1.000 0.800 CB 1.613 16 residues pruned to eliminate duplicates Z: 7 4.074 1.527 0.344 0.443 0.833 0.333 N 1.031 5 residues pruned to eliminate duplicates Z: 6 2.230 1.417 0.303 0.290 0.800 0.800 CA 0.854 6 residues pruned to eliminate duplicates Z: 28 15.308 1.770 0.355 0.503 0.852 0.519 CB 1.437 28 residues pruned to eliminate duplicates Z: 21 11.846 1.781 0.392 0.513 0.750 0.450 CB 1.406 21 residues pruned to eliminate duplicates Z: 14 12.738 1.871 0.373 0.570 0.923 0.615 CB 1.393 14 residues pruned to eliminate duplicates Z: 20 13.354 1.814 0.329 0.565 0.895 0.579 CB 1.334 20 residues pruned to eliminate duplicates Z: 19 11.849 1.786 0.430 0.549 0.833 0.556 CB 1.251 19 residues pruned to eliminate duplicates Z: 22 9.847 1.784 0.339 0.524 0.762 0.619 CB 1.153 22 residues pruned to eliminate duplicates Z: 21 12.251 1.734 0.391 0.487 0.900 0.400 CB 1.279 21 residues pruned to eliminate duplicates Z: 21 14.503 1.824 0.600 0.505 0.850 0.500 CB 1.301 21 residues pruned to eliminate duplicates Z: 14 10.989 1.702 0.590 0.521 0.846 0.385 CB 1.303 14 residues pruned to eliminate duplicates Z: 26 14.921 1.776 0.392 0.492 0.880 0.440 N 1.382 26 residues pruned to eliminate duplicates Z: 20 15.810 1.777 0.525 0.566 0.895 0.474 CB 1.403 20 residues pruned to eliminate duplicates Z: 21 11.995 1.758 0.657 0.477 0.800 0.450 CB 1.178 21 residues pruned to eliminate duplicates Z: 18 13.229 1.819 0.552 0.591 0.882 0.529 CB 1.181 18 residues pruned to eliminate duplicates Z: 11 16.142 1.652 0.640 0.779 1.000 0.600 CA 1.473 10 residues pruned to eliminate duplicates Z: 10 17.508 1.768 0.800 0.715 1.000 0.444 N 1.510 10 residues pruned to eliminate duplicates 6 1.549 1.503 0.313 0.287 0.600 0.400 CB 0.744 ? Z: 6 2.348 1.597 0.137 0.430 0.800 0.200 CB 0.777 Z: 6 9.014 1.610 0.487 0.842 1.000 0.800 CA 1.255 6 residues pruned to eliminate duplicates Z: 25 22.119 1.878 0.539 0.667 1.000 0.792 CB 1.338 25 residues pruned to eliminate duplicates Z: 27 22.414 1.803 0.679 0.669 1.000 0.808 CB 1.242 27 residues pruned to eliminate duplicates Z: 26 26.505 1.906 0.641 0.684 1.000 0.840 CB 1.432 26 residues pruned to eliminate duplicates Z: 19 18.201 1.884 0.538 0.863 1.000 0.722 CB 1.086 19 residues pruned to eliminate duplicates Z: 26 24.301 1.886 0.630 0.691 0.960 0.960 CB 1.382 26 residues pruned to eliminate duplicates Z: 23 25.373 1.940 0.542 0.763 0.955 0.818 CB 1.500 23 residues pruned to eliminate duplicates Z: 25 27.177 1.913 0.703 0.725 1.000 0.750 CB 1.391 25 residues pruned to eliminate duplicates Z: 37 23.536 1.790 0.607 0.666 0.917 0.778 CB 1.276 37 residues pruned to eliminate duplicates Z: 25 24.129 1.910 0.636 0.699 0.958 0.792 CB 1.372 25 residues pruned to eliminate duplicates Z: 26 22.849 1.846 0.727 0.678 0.960 0.680 CB 1.268 26 residues pruned to eliminate duplicates Z: 25 27.321 1.948 0.698 0.695 1.000 0.833 CB 1.411 25 residues pruned to eliminate duplicates Z: 24 27.974 1.953 0.700 0.722 1.000 0.696 CB 1.437 24 residues pruned to eliminate duplicates Z: 25 26.830 1.935 0.736 0.698 0.958 0.792 CB 1.420 25 residues pruned to eliminate duplicates Z: 16 25.432 1.987 0.738 0.948 1.000 0.733 CB 1.314 16 residues pruned to eliminate duplicates Z: 25 26.724 1.958 0.673 0.683 0.958 0.708 CB 1.469 25 residues pruned to eliminate duplicates Z: 18 24.990 1.878 0.787 0.935 0.941 0.647 CB 1.337 18 residues pruned to eliminate duplicates Z: 26 24.961 1.910 0.619 0.683 1.000 0.760 CB 1.365 26 residues pruned to eliminate duplicates Z: 28 26.297 1.851 0.658 0.733 1.000 0.815 CB 1.338 28 residues pruned to eliminate duplicates Z: 29 22.340 1.845 0.518 0.638 0.929 0.607 CB 1.426 29 residues pruned to eliminate duplicates Z: 14 6.839 1.546 0.429 0.575 0.846 0.615 CB 0.944 13 residues pruned to eliminate duplicates Z: 11 8.367 1.491 0.687 0.780 0.900 0.700 CB 0.913 11 residues pruned to eliminate duplicates Z: 10 10.183 1.645 0.509 0.832 0.889 0.778 CB 1.155 10 residues pruned to eliminate duplicates Z: 9 6.848 1.769 0.574 0.654 0.875 0.625 CB 0.861 9 residues pruned to eliminate duplicates Z: 13 8.154 1.624 0.716 0.504 0.917 0.500 CB 0.918 13 residues pruned to eliminate duplicates Z: 25 12.325 1.885 0.736 0.383 0.750 0.500 CB 1.162 25 residues pruned to eliminate duplicates Z: 15 8.465 1.571 0.690 0.501 0.857 0.571 CB 0.993 15 residues pruned to eliminate duplicates Z: 12 6.607 1.647 0.642 0.389 0.727 0.545 CB 1.140 13 residues pruned to eliminate duplicates Z: 8 8.115 1.965 0.505 0.452 0.857 0.571 CB 1.271 8 residues pruned to eliminate duplicates Z: 40 25.840 2.043 0.732 0.348 0.897 0.590 CB 1.537 60 residues pruned to eliminate duplicates Z: 9 10.694 1.991 0.547 0.474 0.875 0.625 CB 1.440 9 residues pruned to eliminate duplicates Z: 28 19.491 2.020 0.696 0.324 0.889 0.630 CB 1.494 28 residues pruned to eliminate duplicates Z: 29 18.374 2.021 0.735 0.323 0.857 0.571 CB 1.403 29 residues pruned to eliminate duplicates Z: 36 23.110 2.063 0.655 0.352 0.914 0.543 CB 1.468 36 residues pruned to eliminate duplicates Z: 46 23.507 1.982 0.721 0.330 0.889 0.600 CB 1.392 65 residues pruned to eliminate duplicates Z: 38 21.630 2.053 0.552 0.346 0.865 0.595 CB 1.525 38 residues pruned to eliminate duplicates Z: 30 19.371 1.987 0.676 0.379 0.862 0.586 CA 1.426 30 residues pruned to eliminate duplicates Z: 33 21.347 2.112 0.660 0.313 0.906 0.625 CB 1.461 33 residues pruned to eliminate duplicates Z: 38 23.876 2.027 0.730 0.362 0.919 0.649 CB 1.413 38 residues pruned to eliminate duplicates Z: 22 11.879 1.944 0.609 0.288 0.810 0.571 CB 1.300 22 residues pruned to eliminate duplicates Z: 38 24.784 2.077 0.671 0.364 0.892 0.676 CA 1.523 38 residues pruned to eliminate duplicates Z: 36 24.231 2.100 0.692 0.369 0.886 0.571 CB 1.498 36 residues pruned to eliminate duplicates Z: 44 22.772 2.010 0.658 0.357 0.907 0.674 CB 1.341 44 residues pruned to eliminate duplicates Z: 17 12.923 1.823 0.612 0.381 0.875 0.500 CA 1.426 17 residues pruned to eliminate duplicates Z: 37 20.491 2.008 0.733 0.305 0.889 0.583 CB 1.371 37 residues pruned to eliminate duplicates Z: 38 22.254 2.056 0.729 0.318 0.892 0.568 CA 1.411 38 residues pruned to eliminate duplicates Z: 34 23.091 2.106 0.701 0.362 0.879 0.576 CB 1.481 34 residues pruned to eliminate duplicates Z: 12 12.199 1.953 0.612 0.442 1.000 0.545 CA 1.240 12 residues pruned to eliminate duplicates Z: 12 7.353 1.826 0.743 0.146 0.818 0.545 CB 1.318 12 residues pruned to eliminate duplicates Z: 29 18.479 2.200 0.735 0.250 0.786 0.536 CA 1.554 29 residues pruned to eliminate duplicates 6 1.971 1.532 0.956 0.100 0.600 0.200 N 0.817 ? Z: 29 19.188 2.087 0.638 0.298 0.893 0.714 CA 1.488 29 residues pruned to eliminate duplicates Z: 33 19.181 2.094 0.449 0.343 0.938 0.594 CB 1.414 33 residues pruned to eliminate duplicates Z: 52 22.216 1.928 0.674 0.355 0.843 0.431 CB 1.337 52 residues pruned to eliminate duplicates Z: 16 13.785 1.786 0.808 0.464 0.933 0.333 CB 1.225 16 residues pruned to eliminate duplicates Z: 6 3.407 1.703 0.454 0.338 1.000 0.600 CA 0.734 6 residues pruned to eliminate duplicates Z: 14 10.343 1.762 0.915 0.331 0.846 0.462 CB 1.209 14 residues pruned to eliminate duplicates Z: 10 9.095 1.901 0.633 0.388 0.889 0.333 CB 1.237 10 residues pruned to eliminate duplicates Z: 18 10.951 1.656 0.777 0.420 0.941 0.235 CB 1.042 18 residues pruned to eliminate duplicates Z: 18 8.329 1.645 0.545 0.376 0.765 0.294 CB 1.186 18 residues pruned to eliminate duplicates Z: 7 6.159 1.546 0.370 0.662 1.000 0.333 CB 1.022 7 residues pruned to eliminate duplicates Z: 16 12.388 1.783 0.758 0.504 0.867 0.600 CB 1.172 16 residues pruned to eliminate duplicates Z: 7 11.091 1.700 0.626 0.831 1.000 0.667 CB 1.231 7 residues pruned to eliminate duplicates Z: 9 6.682 1.426 0.893 0.674 1.000 1.000 CB 0.745 9 residues pruned to eliminate duplicates Z: 27 20.800 1.965 0.588 0.538 0.962 0.692 CB 1.310 26 residues pruned to eliminate duplicates Z: 6 3.877 1.540 0.882 0.468 1.000 0.800 CA 0.618 5 residues pruned to eliminate duplicates Z: 6 4.382 1.587 0.443 0.456 1.000 1.000 CA 0.895 6 residues pruned to eliminate duplicates Z: 27 18.742 1.919 0.474 0.536 0.923 0.615 CB 1.358 27 residues pruned to eliminate duplicates Z: 32 20.433 1.899 0.528 0.562 0.935 0.645 CA 1.273 32 residues pruned to eliminate duplicates Z: 21 10.603 1.810 0.438 0.354 0.800 0.400 CB 1.334 14 residues pruned to eliminate duplicates Z: 6 4.166 1.817 0.396 0.276 1.000 0.400 CA 0.946 6 residues pruned to eliminate duplicates Z: 23 18.255 1.904 0.455 0.614 0.955 0.636 CB 1.322 23 residues pruned to eliminate duplicates Z: 30 16.130 1.857 0.311 0.540 0.931 0.483 CB 1.271 30 residues pruned to eliminate duplicates Z: 17 13.242 1.948 0.337 0.597 0.938 0.562 CA 1.236 17 residues pruned to eliminate duplicates Z: 15 14.404 1.937 0.355 0.676 0.929 0.714 CB 1.344 15 residues pruned to eliminate duplicates Z: 27 17.336 1.967 0.383 0.524 0.923 0.500 CB 1.322 27 residues pruned to eliminate duplicates Z: 16 16.033 1.896 0.424 0.688 0.933 0.467 CA 1.384 16 residues pruned to eliminate duplicates Z: 28 14.569 1.869 0.493 0.440 0.852 0.519 CB 1.255 28 residues pruned to eliminate duplicates Z: 28 19.082 1.912 0.568 0.562 0.963 0.704 CB 1.198 28 residues pruned to eliminate duplicates Z: 38 23.477 1.863 0.571 0.624 0.946 0.730 CB 1.240 38 residues pruned to eliminate duplicates Z: 16 15.207 1.988 0.497 0.648 0.867 0.600 CB 1.326 16 residues pruned to eliminate duplicates Z: 28 20.383 1.936 0.454 0.584 0.963 0.741 CB 1.335 28 residues pruned to eliminate duplicates Z: 21 12.829 1.830 0.515 0.587 0.900 0.650 CA 1.058 21 residues pruned to eliminate duplicates Z: 24 16.104 1.767 0.476 0.626 0.957 0.739 CB 1.195 24 residues pruned to eliminate duplicates Z: 20 20.282 1.903 0.724 0.711 0.947 0.737 CB 1.236 20 residues pruned to eliminate duplicates Z: 18 18.650 1.937 0.682 0.689 0.882 0.471 CB 1.323 18 residues pruned to eliminate duplicates Z: 36 24.848 1.901 0.527 0.657 0.971 0.657 CA 1.288 36 residues pruned to eliminate duplicates Z: 17 8.722 1.657 0.216 0.544 0.812 0.500 CA 1.275 17 residues pruned to eliminate duplicates Z: 17 15.982 1.839 0.489 0.755 0.938 0.750 CA 1.240 17 residues pruned to eliminate duplicates Z: 39 24.671 1.870 0.645 0.609 0.921 0.579 CB 1.273 39 residues pruned to eliminate duplicates Z: 31 21.078 1.862 0.634 0.570 0.900 0.667 CB 1.313 31 residues pruned to eliminate duplicates Z: 25 10.823 1.711 0.340 0.371 0.958 0.667 CB 1.155 25 residues pruned to eliminate duplicates Z: 39 22.454 1.848 0.558 0.609 0.947 0.658 CB 1.204 39 residues pruned to eliminate duplicates Z: 28 21.120 1.854 0.595 0.690 0.963 0.630 CA 1.200 28 residues pruned to eliminate duplicates Z: 16 21.217 1.903 0.697 0.815 1.000 0.733 CA 1.290 16 residues pruned to eliminate duplicates Z: 27 23.472 1.902 0.613 0.745 0.962 0.577 CB 1.254 27 residues pruned to eliminate duplicates Z: 51 26.095 1.885 0.564 0.543 0.920 0.660 CB 1.305 51 residues pruned to eliminate duplicates Z: 42 21.491 1.833 0.517 0.573 0.902 0.585 CB 1.246 42 residues pruned to eliminate duplicates Z: 40 25.223 1.885 0.502 0.607 0.949 0.615 CB 1.359 40 residues pruned to eliminate duplicates Z: 53 23.260 1.863 0.536 0.505 0.904 0.596 CB 1.240 53 residues pruned to eliminate duplicates Z: 21 9.431 1.767 0.393 0.269 0.850 0.600 CB 1.311 21 residues pruned to eliminate duplicates Z: 32 19.982 1.851 0.555 0.563 0.903 0.677 CB 1.298 32 residues pruned to eliminate duplicates Z: 19 8.276 1.798 0.355 0.302 0.889 0.722 CB 1.124 19 residues pruned to eliminate duplicates Z: 62 30.501 1.859 0.600 0.556 0.934 0.623 CB 1.331 62 residues pruned to eliminate duplicates Z: 24 14.575 1.802 0.575 0.428 0.913 0.565 CB 1.264 24 residues pruned to eliminate duplicates Z: 44 20.398 1.823 0.470 0.540 0.930 0.628 CB 1.200 44 residues pruned to eliminate duplicates Z: 53 25.055 1.881 0.542 0.522 0.942 0.596 CB 1.244 53 residues pruned to eliminate duplicates Z: 51 27.803 1.887 0.721 0.590 0.920 0.540 CB 1.207 51 residues pruned to eliminate duplicates Z: 8 9.620 1.914 0.426 0.542 0.857 0.571 N 1.492 8 residues pruned to eliminate duplicates Z: 27 26.570 1.966 0.725 0.641 0.885 0.615 CB 1.522 27 residues pruned to eliminate duplicates Z: 11 21.791 2.036 0.677 0.716 1.000 0.800 CB 1.659 11 residues pruned to eliminate duplicates Z: 10 26.217 2.022 0.983 0.813 1.000 0.778 CB 1.660 10 residues pruned to eliminate duplicates Z: 17 19.439 1.870 0.862 0.605 0.875 0.562 N 1.444 17 residues pruned to eliminate duplicates Z: 12 21.384 1.915 0.828 0.633 1.000 0.727 N 1.625 12 residues pruned to eliminate duplicates Z: 8 17.109 2.049 0.871 0.670 0.857 0.714 CA 1.683 8 residues pruned to eliminate duplicates Z: 13 20.475 1.936 0.804 0.664 0.917 0.750 N 1.586 13 residues pruned to eliminate duplicates Z: 26 22.788 1.899 0.783 0.570 0.880 0.600 N 1.430 26 residues pruned to eliminate duplicates Z: 23 24.608 1.945 0.649 0.672 0.909 0.682 CB 1.535 23 residues pruned to eliminate duplicates Z: 29 17.440 1.811 0.489 0.529 0.893 0.571 N 1.330 29 residues pruned to eliminate duplicates Z: 21 28.952 2.006 0.814 0.714 0.950 0.800 CB 1.543 21 residues pruned to eliminate duplicates Z: 24 22.384 1.916 0.528 0.585 1.000 0.652 CB 1.469 24 residues pruned to eliminate duplicates Z: 26 26.976 1.930 0.700 0.579 0.960 0.680 CB 1.588 26 residues pruned to eliminate duplicates Z: 30 16.619 1.786 0.554 0.497 0.828 0.483 N 1.348 30 residues pruned to eliminate duplicates Z: 37 22.391 1.854 0.518 0.539 0.917 0.639 CB 1.392 37 residues pruned to eliminate duplicates Z: 46 32.015 1.890 0.584 0.688 0.933 0.644 CB 1.438 46 residues pruned to eliminate duplicates Z: 21 20.418 1.904 0.681 0.663 0.850 0.750 CB 1.443 21 residues pruned to eliminate duplicates Z: 23 26.878 1.986 0.623 0.704 0.955 0.773 N 1.547 23 residues pruned to eliminate duplicates Z: 24 23.731 1.916 0.660 0.644 0.913 0.739 N 1.490 24 residues pruned to eliminate duplicates Z: 26 21.559 1.873 0.605 0.577 0.960 0.600 CB 1.387 26 residues pruned to eliminate duplicates Z: 23 24.930 1.958 0.710 0.654 0.955 0.682 CB 1.442 23 residues pruned to eliminate duplicates Z: 10 9.870 1.858 0.382 0.516 1.000 0.667 CB 1.261 10 residues pruned to eliminate duplicates Z: 11 16.329 2.123 0.490 0.541 1.000 0.800 CA 1.568 11 residues pruned to eliminate duplicates Z: 13 14.319 1.933 0.473 0.510 1.000 0.667 CA 1.438 13 residues pruned to eliminate duplicates Z: 41 29.489 1.985 0.591 0.571 0.975 0.800 CB 1.414 41 residues pruned to eliminate duplicates Z: 13 13.363 2.054 0.580 0.420 0.833 0.667 CA 1.550 13 residues pruned to eliminate duplicates Z: 8 5.809 1.897 0.321 0.313 1.000 0.571 CA 1.077 8 residues pruned to eliminate duplicates Z: 46 31.101 1.971 0.578 0.531 0.956 0.756 CB 1.513 46 residues pruned to eliminate duplicates Z: 48 28.165 1.929 0.586 0.545 0.915 0.766 CB 1.404 48 residues pruned to eliminate duplicates Z: 11 14.264 2.088 0.536 0.520 1.000 0.800 CA 1.379 11 residues pruned to eliminate duplicates Z: 13 12.961 1.995 0.556 0.475 0.917 0.750 CA 1.348 13 residues pruned to eliminate duplicates Z: 45 30.404 1.970 0.531 0.589 0.977 0.841 CB 1.428 45 residues pruned to eliminate duplicates Z: 57 28.341 1.904 0.648 0.436 0.911 0.643 CA 1.416 57 residues pruned to eliminate duplicates Z: 19 13.876 1.836 0.317 0.589 1.000 0.611 CB 1.241 19 residues pruned to eliminate duplicates Z: 32 22.880 1.961 0.550 0.601 0.968 0.710 CB 1.269 32 residues pruned to eliminate duplicates Z: 27 18.030 1.951 0.388 0.538 0.923 0.654 CB 1.362 27 residues pruned to eliminate duplicates Z: 35 23.808 1.954 0.465 0.584 1.000 0.676 CB 1.315 35 residues pruned to eliminate duplicates Z: 10 7.548 1.704 0.496 0.463 0.889 0.556 CB 1.153 10 residues pruned to eliminate duplicates Z: 36 28.668 1.956 0.600 0.647 0.971 0.657 CB 1.389 36 residues pruned to eliminate duplicates Z: 46 26.187 1.971 0.577 0.549 0.911 0.778 CB 1.314 46 residues pruned to eliminate duplicates Z: 41 29.602 1.971 0.635 0.593 0.950 0.775 CB 1.399 41 residues pruned to eliminate duplicates Z: 36 20.147 1.908 0.584 0.672 0.914 0.657 CB 1.051 36 residues pruned to eliminate duplicates Z: 39 25.621 1.918 0.554 0.631 0.974 0.658 CB 1.267 39 residues pruned to eliminate duplicates Z: 42 32.132 2.017 0.684 0.569 0.976 0.756 CB 1.417 42 residues pruned to eliminate duplicates Z: 62 35.452 1.948 0.792 0.542 0.902 0.607 CB 1.384 42 residues pruned to eliminate duplicates Z: 18 26.353 2.041 0.595 0.869 1.000 0.765 CA 1.435 18 residues pruned to eliminate duplicates Z: 34 25.662 1.919 0.680 0.662 0.939 0.758 CB 1.269 34 residues pruned to eliminate duplicates Z: 36 25.093 1.930 0.717 0.562 1.000 0.657 CB 1.206 36 residues pruned to eliminate duplicates Z: 30 29.823 2.019 0.782 0.685 0.966 0.793 CB 1.346 30 residues pruned to eliminate duplicates Z: 34 28.443 1.934 0.763 0.629 0.970 0.697 CB 1.326 34 residues pruned to eliminate duplicates Z: 35 29.991 1.973 0.695 0.657 1.000 0.853 CB 1.329 35 residues pruned to eliminate duplicates Z: 26 29.232 1.972 0.755 0.773 0.960 0.840 CB 1.383 26 residues pruned to eliminate duplicates Z: 46 32.080 2.003 0.667 0.572 0.978 0.733 CB 1.367 46 residues pruned to eliminate duplicates Z: 44 26.437 1.943 0.672 0.547 0.907 0.674 CB 1.307 44 residues pruned to eliminate duplicates Z: 51 30.755 1.940 0.659 0.534 0.960 0.680 CB 1.361 51 residues pruned to eliminate duplicates Z: 34 28.463 1.966 0.664 0.660 1.000 0.636 CB 1.305 34 residues pruned to eliminate duplicates Z: 48 29.247 1.976 0.646 0.548 0.915 0.638 CB 1.368 48 residues pruned to eliminate duplicates Z: 35 26.624 1.954 0.756 0.621 1.000 0.588 CB 1.188 35 residues pruned to eliminate duplicates Z: 48 31.442 1.982 0.648 0.567 0.957 0.596 CB 1.375 48 residues pruned to eliminate duplicates Z: 29 30.813 2.005 0.778 0.705 1.000 0.643 CB 1.355 29 residues pruned to eliminate duplicates Z: 40 32.511 2.019 0.729 0.613 0.949 0.769 CB 1.413 40 residues pruned to eliminate duplicates Z: 40 29.889 1.943 0.722 0.621 0.974 0.667 CB 1.310 40 residues pruned to eliminate duplicates Z: 41 28.670 1.930 0.678 0.649 0.950 0.600 CB 1.282 41 residues pruned to eliminate duplicates Z: 50 35.972 1.996 0.695 0.584 0.959 0.673 CB 1.461 50 residues pruned to eliminate duplicates Z: 52 32.928 1.939 0.696 0.592 0.961 0.608 CB 1.336 52 residues pruned to eliminate duplicates Z: 28 18.610 1.953 0.557 0.446 0.852 0.519 CB 1.461 28 residues pruned to eliminate duplicates Z: 57 30.070 1.970 0.672 0.551 0.839 0.571 CB 1.383 57 residues pruned to eliminate duplicates Z: 95 44.850 1.962 0.702 0.591 0.947 0.628 CB 1.342 95 residues pruned to eliminate duplicates Z: 61 34.175 1.955 0.747 0.560 0.883 0.567 CB 1.379 61 residues pruned to eliminate duplicates Z: 25 28.911 2.014 0.851 0.609 0.917 0.667 CB 1.557 25 residues pruned to eliminate duplicates Z: 31 24.445 1.949 0.647 0.575 0.867 0.533 CB 1.493 31 residues pruned to eliminate duplicates Z: 27 22.550 1.951 0.776 0.530 0.885 0.500 CB 1.401 26 residues pruned to eliminate duplicates Z: 6 4.387 1.496 0.462 0.471 1.000 0.200 CA 0.924 Z: 6 8.591 1.781 0.996 0.426 0.800 0.600 N 1.459 6 residues pruned to eliminate duplicates Z: 11 22.403 2.105 0.965 0.673 0.900 0.600 CA 1.622 17 residues pruned to eliminate duplicates Z: 57 43.059 1.999 0.802 0.625 0.982 0.571 CB 1.446 57 residues pruned to eliminate duplicates Z: 58 39.611 1.961 0.760 0.601 0.947 0.596 CB 1.458 58 residues pruned to eliminate duplicates Z: 25 22.465 1.948 0.610 0.560 0.875 0.500 CB 1.576 25 residues pruned to eliminate duplicates Z: 69 40.658 1.979 0.736 0.589 0.941 0.721 CB 1.399 69 residues pruned to eliminate duplicates Z: 70 42.154 1.982 0.710 0.584 0.913 0.623 CB 1.512 70 residues pruned to eliminate duplicates Z: 57 36.388 1.980 0.663 0.618 0.929 0.661 CB 1.423 57 residues pruned to eliminate duplicates Z: 59 36.847 1.946 0.687 0.629 0.966 0.638 CB 1.352 59 residues pruned to eliminate duplicates Z: 12 11.705 1.913 0.477 0.444 0.909 0.545 N 1.455 12 residues pruned to eliminate duplicates Z: 9 9.011 2.044 0.336 0.526 0.750 0.625 CA 1.516 9 residues pruned to eliminate duplicates Z: 28 27.576 1.947 0.825 0.600 0.926 0.519 CB 1.467 28 residues pruned to eliminate duplicates Z: 28 24.773 1.985 0.737 0.521 0.889 0.593 CB 1.524 28 residues pruned to eliminate duplicates Z: 42 23.986 1.895 0.605 0.617 0.878 0.537 CB 1.256 42 residues pruned to eliminate duplicates Z: 23 22.180 1.899 0.914 0.589 0.909 0.636 CB 1.315 23 residues pruned to eliminate duplicates Z: 31 21.339 1.921 0.651 0.707 0.967 0.633 CB 1.053 31 residues pruned to eliminate duplicates Z: 31 22.374 1.938 0.644 0.679 0.933 0.667 CB 1.165 31 residues pruned to eliminate duplicates Z: 31 23.682 1.944 0.679 0.707 0.967 0.700 CB 1.135 31 residues pruned to eliminate duplicates Z: 18 12.103 1.867 0.603 0.433 0.941 0.471 CB 1.117 18 residues pruned to eliminate duplicates Z: 22 20.524 1.935 0.755 0.649 1.000 0.667 CB 1.148 22 residues pruned to eliminate duplicates Z: 21 19.312 1.934 0.746 0.660 1.000 0.850 CB 1.102 21 residues pruned to eliminate duplicates Z: 13 5.397 1.780 0.500 0.508 0.833 0.667 CB 0.695 13 residues pruned to eliminate duplicates Z: 36 22.391 1.832 0.754 0.677 0.971 0.686 CB 1.030 36 residues pruned to eliminate duplicates Z: 30 22.739 1.935 0.715 0.723 0.966 0.759 CB 1.077 30 residues pruned to eliminate duplicates Z: 21 16.844 1.912 0.664 0.657 1.000 0.850 CB 1.023 21 residues pruned to eliminate duplicates Z: 20 15.779 1.910 0.671 0.780 0.895 0.737 CB 0.991 20 residues pruned to eliminate duplicates Z: 18 15.099 1.946 0.642 0.819 0.941 0.706 CB 0.923 18 residues pruned to eliminate duplicates Z: 14 9.335 1.737 0.691 0.551 0.846 0.615 CB 0.991 14 residues pruned to eliminate duplicates Z: 10 15.163 1.989 0.705 0.772 0.889 0.667 CB 1.318 10 residues pruned to eliminate duplicates Z: 17 16.008 1.980 0.584 0.861 0.938 0.750 CB 1.000 17 residues pruned to eliminate duplicates Z: 32 20.664 1.910 0.603 0.688 0.968 0.774 CB 1.055 32 residues pruned to eliminate duplicates Z: 31 21.674 1.929 0.608 0.718 0.967 0.900 CB 1.083 31 residues pruned to eliminate duplicates Z: 33 20.203 1.921 0.611 0.697 0.938 0.750 CB 1.029 33 residues pruned to eliminate duplicates Z: 36 19.575 1.837 0.643 0.662 0.914 0.657 CB 1.032 36 residues pruned to eliminate duplicates Z: 20 15.627 1.903 0.664 0.737 0.895 0.789 CB 1.023 20 residues pruned to eliminate duplicates Z: 31 23.957 1.942 0.705 0.711 0.967 0.700 CB 1.128 31 residues pruned to eliminate duplicates Z: 32 25.673 1.929 0.810 0.730 1.000 0.710 CB 1.073 32 residues pruned to eliminate duplicates Z: 7 4.772 1.501 0.691 0.391 1.000 0.500 CB 0.861 7 residues pruned to eliminate duplicates Z: 11 7.213 1.764 0.330 0.509 0.900 0.800 CB 1.070 21 residues pruned to eliminate duplicates Z: 6 5.691 1.538 0.352 0.618 1.000 0.600 CB 1.095 Z: 6 5.743 1.475 0.564 0.605 1.000 0.600 CB 1.007 6 residues pruned to eliminate duplicates Z: 15 5.784 1.604 0.415 0.340 0.857 0.357 CB 0.946 15 residues pruned to eliminate duplicates Z: 17 8.277 1.732 0.286 0.478 0.875 0.625 CB 1.085 17 residues pruned to eliminate duplicates Z: 22 10.349 1.752 0.526 0.413 0.810 0.571 CB 1.143 22 residues pruned to eliminate duplicates Z: 14 6.496 1.698 0.383 0.379 0.769 0.615 CB 1.134 14 residues pruned to eliminate duplicates Z: 14 5.675 1.692 0.457 0.239 0.692 0.385 CB 1.247 14 residues pruned to eliminate duplicates Z: 17 6.319 1.734 0.365 0.375 0.812 0.500 CB 0.939 17 residues pruned to eliminate duplicates Z: 23 7.386 1.680 0.371 0.373 0.818 0.545 CB 0.958 23 residues pruned to eliminate duplicates Z: 22 9.928 1.727 0.428 0.380 0.905 0.571 CB 1.104 22 residues pruned to eliminate duplicates Z: 21 9.170 1.725 0.397 0.365 0.850 0.550 CB 1.158 21 residues pruned to eliminate duplicates Z: 6 2.070 1.576 0.167 0.194 1.000 0.600 CB 0.725 Z: 21 19.747 1.877 0.498 0.736 0.950 0.650 CA 1.337 21 residues pruned to eliminate duplicates Z: 79 30.957 2.023 0.587 0.405 0.859 0.551 CB 1.406 85 residues pruned to eliminate duplicates Z: 37 18.547 1.829 0.385 0.517 0.917 0.528 CB 1.309 39 residues pruned to eliminate duplicates Z: 12 17.961 1.904 0.520 0.840 1.000 0.636 CB 1.396 12 residues pruned to eliminate duplicates Z: 18 18.696 1.984 0.482 0.664 0.882 0.529 CA 1.502 21 residues pruned to eliminate duplicates Z: 17 23.800 2.011 0.635 0.842 0.938 0.688 CA 1.439 17 residues pruned to eliminate duplicates Z: 13 13.531 2.024 0.345 0.678 0.833 0.417 CA 1.462 13 residues pruned to eliminate duplicates Z: 22 18.067 1.970 0.360 0.690 0.857 0.619 CA 1.443 22 residues pruned to eliminate duplicates Z: 22 17.524 1.940 0.464 0.611 0.857 0.429 CB 1.414 22 residues pruned to eliminate duplicates Z: 24 28.353 1.970 0.695 0.738 0.957 0.652 CA 1.495 24 residues pruned to eliminate duplicates Z: 21 23.725 1.946 0.709 0.759 0.950 0.650 CB 1.334 21 residues pruned to eliminate duplicates Z: 60 25.529 1.994 0.524 0.442 0.847 0.525 CB 1.370 60 residues pruned to eliminate duplicates Z: 32 22.680 1.960 0.540 0.576 0.903 0.452 CB 1.389 32 residues pruned to eliminate duplicates Z: 22 24.953 2.054 0.556 0.738 0.952 0.619 CA 1.446 22 residues pruned to eliminate duplicates Z: 40 18.135 1.843 0.342 0.542 0.897 0.564 CB 1.255 40 residues pruned to eliminate duplicates Z: 22 23.383 1.989 0.556 0.702 0.905 0.714 CB 1.516 22 residues pruned to eliminate duplicates Z: 74 29.753 2.022 0.487 0.425 0.877 0.562 CB 1.428 74 residues pruned to eliminate duplicates Z: 74 31.295 2.044 0.493 0.424 0.890 0.630 CB 1.460 74 residues pruned to eliminate duplicates Z: 34 23.890 1.910 0.565 0.584 0.909 0.515 CB 1.411 34 residues pruned to eliminate duplicates Z: 74 33.405 2.049 0.588 0.437 0.890 0.562 CB 1.440 74 residues pruned to eliminate duplicates Z: 36 21.547 1.928 0.555 0.567 0.857 0.571 CB 1.328 36 residues pruned to eliminate duplicates Z: 50 29.205 1.967 0.632 0.514 0.939 0.531 CB 1.366 50 residues pruned to eliminate duplicates Z: 73 35.599 2.050 0.614 0.448 0.944 0.528 CB 1.416 73 residues pruned to eliminate duplicates Z: 34 23.773 1.925 0.595 0.590 0.879 0.455 CB 1.407 34 residues pruned to eliminate duplicates Z: 76 29.177 1.942 0.491 0.451 0.907 0.520 CB 1.350 76 residues pruned to eliminate duplicates Z: 81 31.103 2.016 0.576 0.411 0.850 0.475 CB 1.413 81 residues pruned to eliminate duplicates Z: 73 34.240 2.001 0.623 0.451 0.931 0.556 CB 1.404 73 residues pruned to eliminate duplicates Z: 73 30.577 1.973 0.582 0.400 0.944 0.500 CB 1.359 73 residues pruned to eliminate duplicates Z: 89 36.633 2.018 0.566 0.434 0.943 0.545 CB 1.402 89 residues pruned to eliminate duplicates Z: 75 35.854 2.039 0.605 0.433 0.919 0.514 CB 1.485 75 residues pruned to eliminate duplicates Z: 34 25.072 1.919 0.688 0.589 0.879 0.545 CA 1.408 34 residues pruned to eliminate duplicates Z: 54 31.014 1.980 0.544 0.509 0.962 0.642 CB 1.435 54 residues pruned to eliminate duplicates Z: 7 5.885 1.641 0.400 0.363 1.000 0.500 N 1.212 7 residues pruned to eliminate duplicates Z: 63 31.912 2.022 0.595 0.441 0.935 0.484 CB 1.427 63 residues pruned to eliminate duplicates Z: 74 34.785 2.034 0.545 0.432 0.945 0.534 CB 1.470 74 residues pruned to eliminate duplicates Z: 71 31.366 2.030 0.545 0.401 0.914 0.557 CB 1.451 71 residues pruned to eliminate duplicates Z: 84 33.971 2.024 0.635 0.408 0.892 0.494 CB 1.392 84 residues pruned to eliminate duplicates Z: 33 19.795 2.092 0.522 0.316 0.875 0.531 CB 1.539 33 residues pruned to eliminate duplicates Z: 75 33.201 2.042 0.561 0.440 0.905 0.568 CB 1.423 75 residues pruned to eliminate duplicates Z: 48 25.392 2.102 0.538 0.332 0.936 0.468 CB 1.471 48 residues pruned to eliminate duplicates Z: 79 34.468 2.027 0.558 0.436 0.910 0.538 CB 1.451 79 residues pruned to eliminate duplicates Z: 75 34.138 2.037 0.574 0.454 0.905 0.568 CB 1.433 75 residues pruned to eliminate duplicates Z: 38 22.594 2.122 0.490 0.367 0.919 0.595 CB 1.474 38 residues pruned to eliminate duplicates Z: 61 24.024 1.967 0.624 0.351 0.817 0.517 CB 1.396 61 residues pruned to eliminate duplicates Z: 78 35.108 2.026 0.586 0.440 0.922 0.571 CB 1.437 78 residues pruned to eliminate duplicates Z: 37 25.724 2.137 0.675 0.359 0.917 0.611 CB 1.521 37 residues pruned to eliminate duplicates Z: 30 21.191 2.074 0.611 0.308 1.000 0.586 CB 1.458 30 residues pruned to eliminate duplicates Z: 76 32.575 2.002 0.525 0.437 0.947 0.507 CB 1.388 76 residues pruned to eliminate duplicates Z: 80 32.887 1.993 0.543 0.422 0.924 0.532 CB 1.413 80 residues pruned to eliminate duplicates Z: 76 35.425 2.023 0.615 0.443 0.920 0.600 CB 1.443 76 residues pruned to eliminate duplicates Z: 75 34.504 2.022 0.630 0.411 0.919 0.568 CB 1.454 75 residues pruned to eliminate duplicates Z: 41 24.302 2.105 0.596 0.328 0.950 0.600 CB 1.455 41 residues pruned to eliminate duplicates Z: 53 22.900 2.045 0.529 0.344 0.923 0.500 CB 1.304 53 residues pruned to eliminate duplicates Z: 37 20.941 2.061 0.463 0.360 0.917 0.667 CB 1.468 37 residues pruned to eliminate duplicates Z: 52 24.495 2.065 0.657 0.337 0.882 0.490 CB 1.358 52 residues pruned to eliminate duplicates Z: 73 32.914 2.045 0.564 0.438 0.889 0.611 CB 1.454 73 residues pruned to eliminate duplicates Z: 72 35.112 2.031 0.633 0.464 0.930 0.563 CB 1.402 72 residues pruned to eliminate duplicates Z: 37 23.453 2.123 0.674 0.353 0.861 0.583 CB 1.497 37 residues pruned to eliminate duplicates Z: 42 24.572 2.126 0.678 0.309 0.878 0.512 CB 1.515 42 residues pruned to eliminate duplicates Z: 74 36.424 2.050 0.606 0.432 0.932 0.438 CB 1.491 74 residues pruned to eliminate duplicates Z: 47 26.601 2.074 0.765 0.331 0.913 0.500 CB 1.411 47 residues pruned to eliminate duplicates Z: 74 35.789 2.041 0.648 0.433 0.932 0.534 CB 1.434 74 residues pruned to eliminate duplicates Z: 38 23.265 2.107 0.454 0.404 0.946 0.676 CB 1.460 38 residues pruned to eliminate duplicates Z: 35 23.136 2.093 0.685 0.305 0.912 0.529 CA 1.534 35 residues pruned to eliminate duplicates Z: 55 21.611 2.015 0.496 0.300 0.852 0.500 CB 1.432 55 residues pruned to eliminate duplicates Z: 38 21.846 2.116 0.460 0.319 0.919 0.622 CB 1.545 38 residues pruned to eliminate duplicates Z: 35 20.059 1.928 0.644 0.405 0.912 0.500 CB 1.315 35 residues pruned to eliminate duplicates Z: 76 32.201 2.007 0.579 0.429 0.840 0.547 CB 1.503 76 residues pruned to eliminate duplicates Z: 83 31.965 1.991 0.561 0.415 0.866 0.537 CB 1.432 83 residues pruned to eliminate duplicates Z: 61 26.554 2.025 0.528 0.343 0.917 0.517 CB 1.434 61 residues pruned to eliminate duplicates Z: 21 10.676 1.998 0.421 0.328 0.800 0.500 CB 1.270 21 residues pruned to eliminate duplicates Z: 100 34.371 1.986 0.581 0.411 0.909 0.576 CB 1.329 100 residues pruned to eliminate duplicates Z: 17 15.857 2.077 0.590 0.410 0.875 0.812 CA 1.507 17 residues pruned to eliminate duplicates Z: 50 21.779 2.007 0.544 0.320 0.898 0.592 CB 1.364 50 residues pruned to eliminate duplicates Z: 13 8.557 1.797 0.854 0.289 0.833 0.250 CB 1.127 13 residues pruned to eliminate duplicates Z: 25 17.187 1.900 0.605 0.483 0.875 0.458 CB 1.337 25 residues pruned to eliminate duplicates Z: 9 9.132 1.920 0.667 0.384 0.875 0.375 CB 1.305 9 residues pruned to eliminate duplicates Z: 57 27.895 2.008 0.603 0.438 0.875 0.589 CB 1.411 57 residues pruned to eliminate duplicates Z: 26 15.850 1.934 0.668 0.436 0.840 0.520 CB 1.250 26 residues pruned to eliminate duplicates Z: 14 8.964 1.862 0.573 0.333 0.769 0.308 CB 1.326 14 residues pruned to eliminate duplicates Z: 22 11.974 1.870 0.686 0.435 0.810 0.571 CB 1.095 22 residues pruned to eliminate duplicates Z: 28 15.091 1.886 0.643 0.414 0.889 0.481 CB 1.154 28 residues pruned to eliminate duplicates Z: 19 14.728 1.948 0.684 0.515 0.944 0.500 CB 1.105 19 residues pruned to eliminate duplicates Z: 18 15.660 1.899 0.734 0.509 0.824 0.471 CB 1.389 18 residues pruned to eliminate duplicates Z: 28 13.289 1.773 0.603 0.459 0.778 0.370 CB 1.206 28 residues pruned to eliminate duplicates Z: 25 18.295 1.863 0.619 0.453 0.917 0.292 CB 1.417 25 residues pruned to eliminate duplicates Z: 27 13.731 1.869 0.678 0.434 0.769 0.346 CB 1.195 27 residues pruned to eliminate duplicates Z: 25 17.648 1.859 0.706 0.461 0.917 0.333 CB 1.289 25 residues pruned to eliminate duplicates Z: 23 14.436 1.851 0.682 0.489 0.818 0.500 CB 1.221 23 residues pruned to eliminate duplicates Z: 11 5.332 1.888 0.214 0.328 0.900 0.300 CB 0.988 11 residues pruned to eliminate duplicates Z: 20 14.458 1.928 0.614 0.503 0.895 0.421 CB 1.188 20 residues pruned to eliminate duplicates Z: 26 15.050 1.936 0.494 0.429 0.880 0.560 CB 1.273 26 residues pruned to eliminate duplicates Z: 28 14.984 1.886 0.584 0.429 0.889 0.407 CB 1.169 28 residues pruned to eliminate duplicates Z: 13 4.519 1.780 0.465 0.316 0.833 0.167 CB 0.736 13 residues pruned to eliminate duplicates Z: 26 14.063 1.921 0.575 0.406 0.840 0.640 CB 1.221 26 residues pruned to eliminate duplicates Z: 34 15.271 1.870 0.645 0.364 0.879 0.515 CB 1.138 34 residues pruned to eliminate duplicates Z: 28 14.375 1.912 0.625 0.380 0.815 0.333 CB 1.242 28 residues pruned to eliminate duplicates Z: 16 11.206 1.966 0.424 0.354 0.933 0.467 CB 1.295 16 residues pruned to eliminate duplicates Z: 22 12.573 1.788 0.512 0.434 0.905 0.524 CB 1.201 30 residues pruned to eliminate duplicates Z: 6 2.503 1.909 0.126 0.203 0.800 0.400 CB 0.927 6 residues pruned to eliminate duplicates Z: 8 3.566 1.658 -0.025 0.153 1.000 0.571 CA 1.277 8 residues pruned to eliminate duplicates Z: 43 20.765 1.937 0.531 0.374 0.929 0.524 CB 1.331 43 residues pruned to eliminate duplicates Z: 17 12.620 1.964 0.435 0.295 0.938 0.375 CB 1.501 17 residues pruned to eliminate duplicates Z: 17 8.463 1.924 0.238 0.261 0.812 0.500 CB 1.437 17 residues pruned to eliminate duplicates Z: 18 10.586 1.908 0.410 0.286 0.882 0.412 CB 1.376 18 residues pruned to eliminate duplicates Z: 18 10.158 1.814 0.436 0.316 0.824 0.471 CB 1.407 18 residues pruned to eliminate duplicates Z: 16 9.746 1.881 0.332 0.353 0.933 0.667 CB 1.261 16 residues pruned to eliminate duplicates Z: 17 12.627 1.952 0.454 0.346 0.875 0.562 CB 1.503 17 residues pruned to eliminate duplicates Z: 10 12.619 2.032 0.690 0.468 0.889 0.778 CB 1.423 10 residues pruned to eliminate duplicates Z: 29 11.766 1.887 0.374 0.292 0.857 0.393 CB 1.263 29 residues pruned to eliminate duplicates Z: 18 9.477 1.831 0.619 0.274 0.765 0.294 CB 1.310 18 residues pruned to eliminate duplicates Z: 19 11.941 1.950 0.489 0.323 0.944 0.444 CB 1.248 19 residues pruned to eliminate duplicates Z: 23 12.258 1.760 0.513 0.309 0.818 0.364 CA 1.483 23 residues pruned to eliminate duplicates Z: 23 12.381 1.744 0.495 0.326 0.864 0.500 CB 1.418 23 residues pruned to eliminate duplicates Z: 34 17.154 1.916 0.444 0.373 0.879 0.485 CB 1.407 34 residues pruned to eliminate duplicates Z: 7 3.806 1.334 0.275 0.367 1.000 0.333 CA 1.053 7 residues pruned to eliminate duplicates Z: 10 4.878 1.911 0.210 0.238 0.667 0.111 CA 1.430 10 residues pruned to eliminate duplicates Z: 33 17.344 1.926 0.372 0.407 0.906 0.531 CB 1.412 33 residues pruned to eliminate duplicates Z: 12 9.598 1.980 0.624 0.236 0.818 0.364 N 1.493 12 residues pruned to eliminate duplicates Z: 20 16.044 1.845 0.439 0.525 0.947 0.737 CA 1.428 19 residues pruned to eliminate duplicates Z: 8 6.834 1.559 0.422 0.759 1.000 0.857 CB 0.925 7 residues pruned to eliminate duplicates Z: 12 9.102 1.655 0.427 0.889 1.000 0.909 CB 0.836 12 residues pruned to eliminate duplicates Z: 8 8.270 1.518 0.886 0.702 0.857 0.571 CB 1.060 7 residues pruned to eliminate duplicates Z: 14 12.172 1.669 0.593 0.899 1.000 1.000 CB 0.907 14 residues pruned to eliminate duplicates Z: 29 17.561 1.643 0.672 0.575 0.929 0.714 CB 1.210 38 residues pruned to eliminate duplicates Z: 15 13.304 1.661 0.700 0.917 1.000 0.929 CB 0.889 15 residues pruned to eliminate duplicates Z: 24 15.550 1.725 0.584 0.693 0.957 0.783 CB 1.040 24 residues pruned to eliminate duplicates Z: 25 17.703 1.743 0.737 0.618 0.958 0.708 CB 1.114 25 residues pruned to eliminate duplicates Z: 36 16.944 1.721 0.600 0.596 0.943 0.514 CB 1.007 35 residues pruned to eliminate duplicates Z: 14 11.089 1.672 0.676 0.876 1.000 0.692 CB 0.798 14 residues pruned to eliminate duplicates Z: 29 17.998 1.746 0.602 0.602 0.964 0.429 CB 1.145 28 residues pruned to eliminate duplicates Z: 14 10.870 1.630 0.843 0.869 1.000 0.615 CB 0.733 14 residues pruned to eliminate duplicates Z: 31 15.120 1.717 0.518 0.550 0.933 0.533 CB 1.081 31 residues pruned to eliminate duplicates Z: 14 14.068 1.704 0.909 0.876 1.000 0.538 CB 0.872 15 residues pruned to eliminate duplicates Z: 14 12.698 1.688 0.761 0.865 1.000 0.615 CB 0.868 14 residues pruned to eliminate duplicates Z: 16 11.788 1.839 0.394 0.444 0.933 0.533 CB 1.348 16 residues pruned to eliminate duplicates Z: 7 4.178 1.414 0.723 0.345 0.833 0.500 N 0.995 7 residues pruned to eliminate duplicates Z: 40 12.209 1.714 0.398 0.351 0.769 0.410 CB 1.245 69 residues pruned to eliminate duplicates Z: 16 9.819 1.798 0.300 0.434 0.933 0.533 N 1.243 Z: 7 4.731 1.443 0.319 0.369 1.000 0.667 CB 1.168 7 residues pruned to eliminate duplicates Z: 21 13.776 1.711 0.555 0.560 0.900 0.700 N 1.214 30 residues pruned to eliminate duplicates Z: 6 2.681 1.178 0.691 0.479 0.800 0.600 N 0.768 6 residues pruned to eliminate duplicates Z: 32 12.903 1.577 0.617 0.476 0.806 0.387 CB 1.154 32 residues pruned to eliminate duplicates Z: 12 9.035 1.633 0.622 0.508 0.909 0.636 N 1.122 12 residues pruned to eliminate duplicates Z: 18 20.410 1.868 0.671 0.807 1.000 0.824 CB 1.214 Z: 16 22.159 1.907 0.540 0.881 1.000 0.800 CA 1.411 16 residues pruned to eliminate duplicates Z: 17 22.796 1.929 0.560 0.897 1.000 0.812 CA 1.356 17 residues pruned to eliminate duplicates Z: 16 22.641 1.981 0.497 0.854 1.000 0.800 CA 1.455 16 residues pruned to eliminate duplicates Z: 20 20.145 1.942 0.458 0.744 0.947 0.684 CA 1.385 22 residues pruned to eliminate duplicates Z: 16 23.128 2.011 0.517 0.883 1.000 0.733 CA 1.415 16 residues pruned to eliminate duplicates Z: 18 18.193 1.974 0.434 0.654 0.882 0.824 CA 1.530 18 residues pruned to eliminate duplicates Z: 20 22.081 2.002 0.420 0.798 0.947 0.842 CB 1.449 20 residues pruned to eliminate duplicates Z: 18 19.082 1.977 0.418 0.752 0.941 0.882 CA 1.401 18 residues pruned to eliminate duplicates Z: 25 22.752 1.840 0.542 0.721 1.000 0.792 CA 1.340 25 residues pruned to eliminate duplicates Z: 18 21.767 1.982 0.486 0.811 1.000 0.882 CA 1.367 18 residues pruned to eliminate duplicates Z: 20 23.912 1.995 0.561 0.804 0.947 0.789 CB 1.425 20 residues pruned to eliminate duplicates Z: 19 20.315 1.959 0.552 0.766 0.889 0.667 CB 1.400 19 residues pruned to eliminate duplicates Z: 27 19.995 1.821 0.461 0.699 0.962 0.769 CA 1.279 27 residues pruned to eliminate duplicates Z: 19 20.312 1.999 0.371 0.813 0.944 0.944 CA 1.408 19 residues pruned to eliminate duplicates Z: 21 21.243 1.960 0.371 0.801 1.000 0.800 CA 1.359 21 residues pruned to eliminate duplicates Z: 7 7.969 1.879 0.235 0.721 1.000 0.833 CB 1.149 7 residues pruned to eliminate duplicates Z: 28 18.741 1.828 0.418 0.660 0.926 0.667 CB 1.295 28 residues pruned to eliminate duplicates Z: 24 20.178 1.864 0.462 0.727 0.957 0.739 CA 1.315 24 residues pruned to eliminate duplicates Z: 22 22.445 1.918 0.556 0.763 1.000 0.810 CB 1.299 22 residues pruned to eliminate duplicates Z: 25 20.982 1.813 0.396 0.763 0.958 0.708 CA 1.398 25 residues pruned to eliminate duplicates Z: 24 22.181 1.892 0.468 0.799 0.957 0.783 CA 1.341 24 residues pruned to eliminate duplicates Z: 24 25.130 1.877 0.488 0.827 1.000 0.826 CB 1.414 22 residues pruned to eliminate duplicates Z: 10 9.021 1.562 0.601 0.731 0.889 0.444 CB 1.099 10 residues pruned to eliminate duplicates Z: 14 5.940 1.622 0.278 0.325 0.769 0.538 CB 1.253 14 residues pruned to eliminate duplicates Z: 17 6.592 1.610 0.321 0.314 0.812 0.562 CB 1.172 16 residues pruned to eliminate duplicates Z: 6 3.927 1.597 0.291 0.358 1.000 0.800 CA 0.993 6 residues pruned to eliminate duplicates Z: 14 7.464 1.691 0.412 0.347 0.846 0.538 CB 1.209 12 residues pruned to eliminate duplicates Z: 6 3.719 1.576 0.063 0.620 1.000 0.400 CB 0.887 6 residues pruned to eliminate duplicates Z: 14 6.254 1.670 0.421 0.396 0.846 0.462 CB 0.964 14 residues pruned to eliminate duplicates Z: 7 4.858 1.464 0.208 0.503 1.000 0.500 CB 1.118 7 residues pruned to eliminate duplicates Z: 9 5.114 1.528 0.447 0.399 0.875 0.375 CB 1.040 8 residues pruned to eliminate duplicates 604 residues left after pruning, divided into chains as follows: A: 10 B: 11 C: 10 D: 11 E: 15 F: 15 G: 61 H: 22 I: 33 J: 14 K: 94 L: 92 M: 21 N: 139 O: 19 P: 9 Q: 28 CC for partial structure against native data = 34.85 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.527, Connect. = 0.717 for dens.mod. cycle 1 = 0.300, Contrast = 0.597, Connect. = 0.739 for dens.mod. cycle 2 = 0.300, Contrast = 0.687, Connect. = 0.767 for dens.mod. cycle 3 = 0.300, Contrast = 0.691, Connect. = 0.769 for dens.mod. cycle 4 = 0.300, Contrast = 0.697, Connect. = 0.771 for dens.mod. cycle 5 = 0.300, Contrast = 0.697, Connect. = 0.773 for dens.mod. cycle 6 = 0.300, Contrast = 0.699, Connect. = 0.775 for dens.mod. cycle 7 = 0.300, Contrast = 0.697, Connect. = 0.776 for dens.mod. cycle 8 = 0.300, Contrast = 0.697, Connect. = 0.777 for dens.mod. cycle 9 = 0.300, Contrast = 0.695, Connect. = 0.777 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3343 peaks > 0.5 sigma used to seed fragment search Space for about 1132 unique residues taking solvent into account 763 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 38 33.062 1.942 0.750 0.689 0.973 0.703 CB 1.383 B: 37 31.515 1.929 0.833 0.727 0.944 0.639 CB 1.281 37 residues pruned to eliminate duplicates C: 47 30.781 1.972 0.542 0.555 0.935 0.674 CB 1.514 D: 17 27.181 1.884 0.773 0.903 1.000 0.875 CB 1.450 18 residues pruned to eliminate duplicates E: 15 25.204 1.964 0.771 0.920 1.000 0.857 CB 1.364 F: 6 8.261 1.743 0.380 0.672 1.000 0.400 CA 1.310 G: 19 16.349 1.772 0.281 0.885 1.000 0.833 CB 1.226 H: 18 27.691 1.965 0.772 0.861 0.941 0.765 CA 1.506 I: 16 19.779 2.018 0.434 0.806 0.933 0.600 CA 1.448 16 residues pruned to eliminate duplicates J: 17 26.952 1.852 0.860 0.888 1.000 0.500 CB 1.410 17 residues pruned to eliminate duplicates K: 16 31.411 2.081 0.767 0.849 1.000 0.800 CA 1.635 16 residues pruned to eliminate duplicates L: 17 29.948 2.081 0.845 0.853 0.875 0.688 CA 1.647 17 residues pruned to eliminate duplicates M: 17 17.387 1.971 0.762 0.884 1.000 0.750 CB 0.904 N: 34 15.047 2.047 0.444 0.278 0.848 0.515 CB 1.343 6 residues pruned to eliminate duplicates O: 8 5.897 1.476 0.731 0.609 0.714 0.571 N 1.101 P: 11 4.523 1.733 0.203 0.384 0.700 0.700 CB 1.108 11 residues pruned to eliminate duplicates Q: 29 26.497 1.968 0.649 0.534 0.929 0.393 CB 1.607 29 residues pruned to eliminate duplicates R: 31 12.519 1.885 0.271 0.353 0.900 0.433 CB 1.242 S: 23 11.105 1.902 0.403 0.328 0.773 0.409 CB 1.386 23 residues pruned to eliminate duplicates T: 15 23.653 2.038 0.558 0.873 1.000 0.500 CB 1.450 U: 20 26.357 1.948 0.641 0.862 1.000 0.632 CB 1.389 13 residues pruned to eliminate duplicates V: 21 23.387 1.912 0.652 0.799 0.900 0.650 CB 1.416 21 residues pruned to eliminate duplicates W: 62 35.562 1.928 0.639 0.629 0.967 0.639 CB 1.320 37 residues pruned to eliminate duplicates X: 15 25.687 1.984 0.747 0.933 1.000 0.857 CB 1.382 15 residues pruned to eliminate duplicates Y: 17 16.365 1.937 1.055 0.853 0.938 0.688 CB 0.810 17 residues pruned to eliminate duplicates Z: 29 24.699 1.960 0.630 0.584 0.893 0.679 CB 1.509 29 residues pruned to eliminate duplicates Z: 76 33.808 2.028 0.487 0.461 0.947 0.507 CB 1.422 26 residues pruned to eliminate duplicates Z: 17 28.653 1.878 0.875 0.896 1.000 0.625 CB 1.457 17 residues pruned to eliminate duplicates Z: 19 13.457 1.810 0.438 0.511 0.889 0.722 CB 1.356 Z: 11 3.704 1.772 -0.125 0.286 0.800 0.500 CB 1.201 11 residues pruned to eliminate duplicates Z: 6 4.601 1.627 0.165 0.535 1.000 0.600 CB 1.049 Z: 10 11.040 1.841 0.697 0.457 0.889 0.333 CB 1.384 Z: 17 23.196 1.900 0.768 0.732 1.000 0.812 CB 1.401 17 residues pruned to eliminate duplicates Z: 13 6.779 1.649 0.342 0.351 0.917 0.750 CA 1.133 6 residues pruned to eliminate duplicates Z: 16 19.724 1.809 0.711 0.884 0.867 0.533 CB 1.371 16 residues pruned to eliminate duplicates Z: 15 22.857 1.952 0.571 0.929 1.000 0.786 CB 1.394 15 residues pruned to eliminate duplicates Z: 34 19.429 2.093 0.546 0.345 0.939 0.576 CB 1.318 34 residues pruned to eliminate duplicates Z: 38 33.523 1.920 0.801 0.699 0.973 0.595 CB 1.366 38 residues pruned to eliminate duplicates Z: 35 20.723 1.840 0.562 0.506 0.941 0.559 CB 1.306 35 residues pruned to eliminate duplicates Z: 10 22.092 1.985 0.908 0.720 1.000 0.778 N 1.594 Z: 9 8.738 1.720 0.286 0.805 0.875 0.625 CA 1.223 Z: 19 26.643 1.913 0.937 0.844 0.944 0.444 CB 1.335 18 residues pruned to eliminate duplicates Z: 18 17.758 1.902 0.306 0.872 1.000 0.588 CA 1.263 16 residues pruned to eliminate duplicates Z: 16 7.577 1.893 0.197 0.293 0.867 0.600 CB 1.255 17 residues pruned to eliminate duplicates Z: 39 24.971 1.897 0.567 0.634 0.868 0.447 CB 1.384 39 residues pruned to eliminate duplicates Z: 17 19.250 1.950 0.468 0.888 0.938 0.812 CA 1.292 17 residues pruned to eliminate duplicates Z: 12 20.252 2.071 0.693 0.834 0.818 0.545 CA 1.595 12 residues pruned to eliminate duplicates Z: 28 25.240 1.977 0.662 0.607 0.852 0.556 CB 1.568 28 residues pruned to eliminate duplicates Z: 27 16.763 2.040 0.464 0.339 0.962 0.538 CB 1.365 27 residues pruned to eliminate duplicates 6 1.896 1.222 0.588 0.767 0.600 0.400 CA 0.574 ? Z: 18 14.736 1.846 0.634 0.542 0.941 0.647 CB 1.209 6 residues pruned to eliminate duplicates Z: 17 26.477 1.915 0.630 0.935 1.000 1.000 CB 1.478 19 residues pruned to eliminate duplicates Z: 9 6.919 1.571 0.202 0.755 1.000 0.625 N 1.032 7 residues pruned to eliminate duplicates Z: 9 13.202 1.906 0.602 0.630 1.000 0.625 CA 1.354 Z: 34 18.395 2.059 0.482 0.328 0.848 0.515 CB 1.494 34 residues pruned to eliminate duplicates Z: 42 24.599 2.085 0.571 0.381 0.854 0.585 CB 1.559 43 residues pruned to eliminate duplicates Z: 20 29.583 1.915 0.809 0.884 1.000 0.842 CB 1.416 20 residues pruned to eliminate duplicates Z: 10 8.365 1.726 0.620 0.387 0.889 0.444 CA 1.264 Z: 10 21.032 1.980 0.690 0.872 1.000 1.000 CA 1.527 Z: 6 4.721 1.944 -0.023 0.798 1.000 1.000 CB 0.856 Z: 8 11.104 2.113 0.167 0.700 1.000 0.714 CB 1.418 Z: 33 13.884 2.049 0.417 0.257 0.875 0.531 CB 1.276 33 residues pruned to eliminate duplicates Z: 29 22.931 1.952 0.747 0.505 0.893 0.536 CB 1.417 29 residues pruned to eliminate duplicates Z: 7 5.406 1.820 0.210 0.490 0.833 0.333 CB 1.215 Z: 19 27.552 2.004 0.896 0.806 0.944 0.500 CB 1.386 19 residues pruned to eliminate duplicates Z: 10 12.778 1.827 0.463 0.856 0.889 0.778 CB 1.322 Z: 24 23.034 1.905 0.795 0.704 0.957 0.739 CB 1.220 23 residues pruned to eliminate duplicates Z: 9 5.640 1.697 0.863 0.348 0.750 0.375 CB 0.992 Z: 10 7.860 1.776 0.287 0.641 0.889 0.667 CB 1.130 Z: 9 12.994 1.724 0.413 0.876 1.000 0.750 CA 1.370 Z: 13 22.720 2.017 0.867 0.928 0.833 0.750 CB 1.464 13 residues pruned to eliminate duplicates Z: 13 13.573 1.833 0.820 0.687 0.833 0.750 CB 1.187 Z: 9 11.163 1.871 0.422 0.693 0.875 0.625 CB 1.422 8 residues pruned to eliminate duplicates Z: 18 23.308 2.019 0.657 0.897 0.941 0.824 CB 1.285 18 residues pruned to eliminate duplicates Z: 18 11.255 1.748 0.417 0.432 0.824 0.471 CB 1.436 8 residues pruned to eliminate duplicates Z: 8 17.460 2.073 0.734 0.818 0.857 0.714 CA 1.625 8 residues pruned to eliminate duplicates Z: 7 6.147 1.956 0.476 0.435 0.667 0.500 CB 1.394 Z: 12 19.224 1.898 0.614 0.873 1.000 0.818 CA 1.378 12 residues pruned to eliminate duplicates Z: 11 6.803 1.486 0.654 0.299 0.900 0.600 N 1.218 Z: 17 30.681 2.050 0.623 0.901 1.000 0.875 N 1.645 17 residues pruned to eliminate duplicates Z: 18 24.852 1.972 0.638 0.866 0.882 0.647 N 1.548 18 residues pruned to eliminate duplicates Z: 30 19.221 2.018 0.656 0.365 0.897 0.517 CB 1.377 29 residues pruned to eliminate duplicates Z: 19 30.631 1.994 0.747 0.913 0.944 0.778 CB 1.552 21 residues pruned to eliminate duplicates Z: 8 11.070 1.910 0.419 0.864 1.000 0.857 CB 1.132 9 residues pruned to eliminate duplicates Z: 86 36.627 2.018 0.673 0.428 0.894 0.553 CB 1.418 85 residues pruned to eliminate duplicates Z: 24 15.685 2.124 0.498 0.315 0.913 0.565 CB 1.380 24 residues pruned to eliminate duplicates Z: 20 17.616 1.767 0.485 0.842 0.947 0.789 CA 1.212 Z: 18 12.959 2.001 0.592 0.312 0.941 0.471 CB 1.292 18 residues pruned to eliminate duplicates Z: 19 11.950 2.148 0.429 0.309 0.833 0.556 CB 1.361 19 residues pruned to eliminate duplicates Z: 18 16.192 1.946 0.307 0.876 1.000 0.824 CA 1.122 18 residues pruned to eliminate duplicates Z: 20 32.800 1.997 0.798 0.894 1.000 0.842 CA 1.502 20 residues pruned to eliminate duplicates Z: 12 5.014 1.709 0.514 0.390 0.818 0.273 CB 0.803 6 residues pruned to eliminate duplicates Z: 30 19.304 1.879 0.480 0.497 0.897 0.759 CA 1.443 30 residues pruned to eliminate duplicates Z: 8 8.408 1.536 0.660 0.820 0.857 0.714 CA 1.102 Z: 21 19.381 1.752 0.480 0.866 1.000 0.800 CA 1.223 20 residues pruned to eliminate duplicates Z: 12 9.001 1.985 0.301 0.424 0.818 0.636 CB 1.390 12 residues pruned to eliminate duplicates Z: 16 25.059 1.946 0.704 0.910 1.000 0.867 CB 1.384 16 residues pruned to eliminate duplicates Z: 16 23.573 1.915 0.569 0.933 1.000 0.867 CA 1.413 16 residues pruned to eliminate duplicates Z: 15 18.001 1.868 0.485 0.815 0.929 0.714 CA 1.421 15 residues pruned to eliminate duplicates Z: 7 9.270 1.908 0.583 0.688 0.833 0.833 CB 1.266 Z: 13 15.065 1.896 0.649 0.669 0.917 0.583 CB 1.297 12 residues pruned to eliminate duplicates Z: 8 5.596 1.986 -0.292 0.814 1.000 0.714 CB 1.145 8 residues pruned to eliminate duplicates Z: 21 27.383 1.939 0.703 0.875 0.950 0.750 CB 1.420 21 residues pruned to eliminate duplicates Z: 36 32.156 1.924 0.823 0.703 0.971 0.543 CB 1.327 36 residues pruned to eliminate duplicates Z: 16 20.315 1.863 0.594 0.915 1.000 0.867 CB 1.248 16 residues pruned to eliminate duplicates Z: 37 32.181 1.933 0.825 0.713 0.944 0.667 CB 1.327 37 residues pruned to eliminate duplicates Z: 15 14.280 1.875 0.585 0.630 0.857 0.643 CB 1.326 16 residues pruned to eliminate duplicates Z: 17 16.394 1.903 0.359 0.790 0.938 0.625 CA 1.310 17 residues pruned to eliminate duplicates Z: 58 39.798 1.987 0.756 0.613 0.947 0.649 CB 1.433 35 residues pruned to eliminate duplicates Z: 26 15.888 1.921 0.379 0.559 0.960 0.720 CA 1.180 20 residues pruned to eliminate duplicates Z: 6 5.035 1.668 0.654 0.299 0.800 0.400 CB 1.276 Z: 7 4.245 1.602 0.731 0.339 0.833 0.500 CB 0.894 7 residues pruned to eliminate duplicates Z: 9 3.247 1.620 0.528 0.250 0.750 0.375 CB 0.824 Z: 36 21.227 2.066 0.549 0.353 0.886 0.486 CA 1.484 36 residues pruned to eliminate duplicates Z: 16 19.237 1.905 0.540 0.889 0.933 0.733 CA 1.306 16 residues pruned to eliminate duplicates 6 1.791 1.589 0.113 0.300 0.600 0.400 CB 0.944 ? Z: 14 6.531 1.848 0.222 0.429 0.769 0.308 CB 1.123 14 residues pruned to eliminate duplicates Z: 27 23.936 1.981 0.690 0.582 0.885 0.615 CB 1.465 27 residues pruned to eliminate duplicates Z: 15 28.852 1.935 0.895 0.892 1.000 0.786 CB 1.511 8 residues pruned to eliminate duplicates Z: 25 18.416 1.858 0.506 0.503 0.958 0.667 CB 1.398 25 residues pruned to eliminate duplicates Z: 15 24.335 1.948 0.665 0.928 1.000 0.857 CB 1.404 15 residues pruned to eliminate duplicates Z: 16 22.938 1.891 0.528 0.933 1.000 0.933 CB 1.431 16 residues pruned to eliminate duplicates Z: 14 11.206 1.780 0.335 0.692 0.923 0.923 CB 1.189 14 residues pruned to eliminate duplicates Z: 22 16.898 1.913 0.346 0.497 0.952 0.571 CA 1.508 15 residues pruned to eliminate duplicates Z: 41 21.969 2.101 0.478 0.328 0.900 0.550 CB 1.501 41 residues pruned to eliminate duplicates Z: 26 29.952 2.062 0.863 0.603 0.920 0.560 CB 1.536 26 residues pruned to eliminate duplicates Z: 12 6.233 1.731 0.704 0.246 0.818 0.455 CB 1.043 Z: 8 8.392 2.064 -0.022 0.660 1.000 0.714 CB 1.355 8 residues pruned to eliminate duplicates Z: 16 21.123 1.960 0.342 0.938 1.000 0.933 CB 1.441 16 residues pruned to eliminate duplicates Z: 9 12.966 1.927 0.666 0.751 0.875 0.500 CB 1.304 9 residues pruned to eliminate duplicates Z: 13 16.304 1.819 0.422 0.861 1.000 0.750 CA 1.337 13 residues pruned to eliminate duplicates Z: 13 17.534 1.894 0.678 0.620 1.000 0.667 CB 1.422 Z: 9 7.108 1.717 0.738 0.425 0.875 0.500 N 1.041 7 residues pruned to eliminate duplicates Z: 16 24.125 1.854 0.740 0.875 1.000 0.933 CA 1.404 16 residues pruned to eliminate duplicates Z: 14 20.371 1.951 0.855 0.886 0.846 0.692 CB 1.331 14 residues pruned to eliminate duplicates Z: 38 29.862 1.880 0.702 0.688 0.946 0.676 CB 1.364 38 residues pruned to eliminate duplicates Z: 18 14.999 1.856 0.484 0.534 1.000 0.706 CA 1.277 17 residues pruned to eliminate duplicates Z: 36 21.406 2.066 0.526 0.382 0.943 0.657 CB 1.380 36 residues pruned to eliminate duplicates Z: 8 5.266 1.713 0.453 0.469 0.857 0.857 CB 0.963 Z: 15 24.241 1.935 0.737 0.904 0.929 0.857 CA 1.478 15 residues pruned to eliminate duplicates Z: 30 16.689 1.799 0.431 0.566 0.862 0.655 CB 1.310 30 residues pruned to eliminate duplicates Z: 10 10.481 1.566 0.427 0.891 1.000 1.000 CB 1.124 12 residues pruned to eliminate duplicates Z: 22 13.901 1.986 0.642 0.344 0.952 0.571 CB 1.158 22 residues pruned to eliminate duplicates Z: 17 14.825 1.750 0.748 0.712 0.938 0.750 CB 1.067 10 residues pruned to eliminate duplicates Z: 15 12.211 1.734 0.417 0.546 1.000 0.643 CB 1.270 15 residues pruned to eliminate duplicates Z: 6 6.360 1.660 0.494 0.577 0.800 0.600 CA 1.330 Z: 13 9.581 1.601 0.360 0.898 0.917 0.833 CA 0.992 13 residues pruned to eliminate duplicates Z: 19 20.479 1.965 0.681 0.687 0.889 0.778 CB 1.385 18 residues pruned to eliminate duplicates Z: 21 15.271 2.178 0.400 0.345 0.900 0.650 CB 1.472 21 residues pruned to eliminate duplicates Z: 69 39.823 2.004 0.689 0.561 0.912 0.588 CB 1.476 69 residues pruned to eliminate duplicates Z: 11 12.721 1.869 0.374 0.642 1.000 0.800 CB 1.373 11 residues pruned to eliminate duplicates Z: 14 6.796 1.866 0.206 0.300 0.769 0.462 CB 1.360 14 residues pruned to eliminate duplicates Z: 13 14.497 1.787 0.606 0.713 0.917 0.667 CA 1.311 13 residues pruned to eliminate duplicates Z: 12 15.369 1.891 0.645 0.565 0.909 0.455 CB 1.538 12 residues pruned to eliminate duplicates Z: 9 9.670 1.759 0.531 0.688 0.875 0.625 N 1.222 Z: 8 12.083 1.624 0.674 0.835 1.000 1.000 CB 1.258 8 residues pruned to eliminate duplicates Z: 12 11.012 1.768 0.584 0.519 0.818 0.636 CB 1.423 12 residues pruned to eliminate duplicates Z: 12 7.471 1.645 0.552 0.429 0.727 0.545 N 1.305 9 residues pruned to eliminate duplicates Z: 45 32.988 1.906 0.673 0.684 0.909 0.568 CB 1.449 38 residues pruned to eliminate duplicates Z: 15 22.520 1.933 0.681 0.906 1.000 1.000 CB 1.317 15 residues pruned to eliminate duplicates Z: 7 9.815 1.754 0.254 0.811 1.000 0.667 CB 1.389 9 residues pruned to eliminate duplicates Z: 16 22.909 1.915 0.604 0.917 1.000 0.867 CB 1.359 16 residues pruned to eliminate duplicates Z: 16 23.299 1.958 0.784 0.920 0.933 0.800 CB 1.300 16 residues pruned to eliminate duplicates Z: 15 27.340 1.959 0.923 0.938 1.000 0.714 CB 1.349 15 residues pruned to eliminate duplicates Z: 8 6.604 1.721 0.208 0.866 1.000 1.000 CB 0.879 8 residues pruned to eliminate duplicates Z: 20 20.834 1.895 0.788 0.841 0.842 0.421 CB 1.249 20 residues pruned to eliminate duplicates Z: 16 26.306 1.947 0.835 0.931 1.000 0.667 CB 1.329 16 residues pruned to eliminate duplicates Z: 11 13.921 1.580 0.755 0.809 1.000 0.600 CA 1.213 9 residues pruned to eliminate duplicates Z: 16 8.156 1.793 0.410 0.286 0.800 0.400 N 1.325 16 residues pruned to eliminate duplicates Z: 18 19.470 1.793 0.818 0.602 1.000 0.706 CB 1.314 18 residues pruned to eliminate duplicates Z: 22 20.726 1.846 0.509 0.732 0.905 0.714 CA 1.457 22 residues pruned to eliminate duplicates Z: 6 2.963 1.738 0.471 0.385 0.600 0.600 CB 0.976 Z: 63 37.093 1.914 0.673 0.661 0.968 0.694 CB 1.310 64 residues pruned to eliminate duplicates Z: 12 11.144 2.029 0.362 0.435 1.000 0.545 CB 1.301 12 residues pruned to eliminate duplicates Z: 16 25.156 1.856 0.770 0.912 1.000 0.600 CB 1.400 16 residues pruned to eliminate duplicates Z: 46 23.763 1.839 0.595 0.508 0.911 0.556 CB 1.315 46 residues pruned to eliminate duplicates Z: 18 29.309 1.997 1.015 0.905 0.882 0.588 CB 1.425 18 residues pruned to eliminate duplicates Z: 8 6.709 1.520 0.645 0.691 0.714 0.429 CA 1.192 8 residues pruned to eliminate duplicates Z: 48 25.213 1.809 0.643 0.628 0.809 0.596 CB 1.357 45 residues pruned to eliminate duplicates Z: 31 15.388 1.860 0.453 0.425 0.800 0.400 CB 1.406 31 residues pruned to eliminate duplicates Z: 10 6.687 1.746 0.546 0.362 0.778 0.667 CB 1.232 Z: 14 15.369 1.823 0.838 0.743 0.846 0.692 CB 1.209 14 residues pruned to eliminate duplicates Z: 6 3.574 1.625 0.225 0.450 1.000 0.600 CB 0.845 5 residues pruned to eliminate duplicates Z: 16 22.842 1.946 0.565 0.941 1.000 0.933 CB 1.344 16 residues pruned to eliminate duplicates 7 1.677 1.781 0.315 0.355 0.333 0.333 N 1.025 ? Z: 17 13.449 1.764 0.617 0.647 0.938 0.625 CB 1.096 17 residues pruned to eliminate duplicates Z: 8 6.426 1.847 0.662 0.587 0.714 0.714 CB 1.019 Z: 18 7.593 1.604 0.612 0.445 0.765 0.471 CB 0.986 Z: 78 33.847 2.022 0.506 0.443 0.961 0.494 CB 1.398 78 residues pruned to eliminate duplicates Z: 22 18.238 2.198 0.647 0.326 0.857 0.714 CB 1.553 22 residues pruned to eliminate duplicates Z: 11 10.968 1.642 0.440 0.747 0.900 0.700 CB 1.308 11 residues pruned to eliminate duplicates Z: 16 18.217 1.909 0.600 0.846 0.867 0.667 CB 1.319 16 residues pruned to eliminate duplicates 6 1.949 1.594 0.438 0.529 1.000 0.800 CB 0.370 ? Z: 45 20.037 2.041 0.370 0.315 0.909 0.409 CB 1.459 45 residues pruned to eliminate duplicates Z: 15 12.669 1.776 0.736 0.665 0.929 0.714 CB 1.015 6 residues pruned to eliminate duplicates Z: 15 11.891 1.868 0.523 0.477 0.786 0.571 CB 1.456 11 residues pruned to eliminate duplicates Z: 17 20.627 1.917 0.659 0.814 0.938 0.688 CA 1.317 17 residues pruned to eliminate duplicates Z: 14 15.260 1.786 0.391 0.873 1.000 0.846 CA 1.241 14 residues pruned to eliminate duplicates Z: 20 32.497 2.012 0.826 0.885 1.000 0.737 CB 1.465 20 residues pruned to eliminate duplicates Z: 13 18.609 1.684 0.966 0.754 0.917 0.750 O 1.412 18 residues pruned to eliminate duplicates Z: 17 23.742 1.896 0.610 0.921 1.000 0.875 CB 1.368 17 residues pruned to eliminate duplicates Z: 12 4.355 1.577 0.324 0.253 0.727 0.455 CB 1.149 12 residues pruned to eliminate duplicates Z: 13 5.126 1.698 0.434 0.196 0.833 0.500 CB 1.047 Z: 13 16.809 1.917 0.608 0.609 1.000 0.833 N 1.419 15 residues pruned to eliminate duplicates Z: 19 26.511 2.027 0.564 0.850 1.000 0.889 CB 1.460 19 residues pruned to eliminate duplicates Z: 53 19.765 1.826 0.285 0.477 0.962 0.654 CB 1.244 62 residues pruned to eliminate duplicates Z: 83 41.665 1.967 0.721 0.632 0.902 0.683 CB 1.331 94 residues pruned to eliminate duplicates Z: 19 25.784 1.964 0.588 0.860 1.000 0.944 CB 1.434 19 residues pruned to eliminate duplicates Z: 11 13.378 1.603 0.715 0.850 1.000 0.700 CB 1.140 10 residues pruned to eliminate duplicates Z: 13 8.598 1.933 0.382 0.342 0.833 0.583 CA 1.324 13 residues pruned to eliminate duplicates Z: 15 23.317 2.005 0.629 0.863 0.929 0.786 CB 1.507 15 residues pruned to eliminate duplicates Z: 24 23.368 1.886 0.543 0.768 0.913 0.783 CA 1.447 24 residues pruned to eliminate duplicates Z: 19 27.484 2.006 0.598 0.903 1.000 0.611 CB 1.441 19 residues pruned to eliminate duplicates Z: 19 9.233 1.833 0.156 0.548 0.778 0.611 CB 1.260 19 residues pruned to eliminate duplicates Z: 13 11.034 1.815 0.275 0.525 0.917 0.750 CB 1.465 13 residues pruned to eliminate duplicates Z: 25 14.660 1.741 0.524 0.604 0.875 0.542 CB 1.168 25 residues pruned to eliminate duplicates Z: 11 15.214 1.989 0.539 0.777 0.800 0.400 CB 1.539 11 residues pruned to eliminate duplicates Z: 17 15.191 1.930 0.486 0.887 1.000 0.875 CB 0.954 17 residues pruned to eliminate duplicates Z: 17 19.364 1.825 0.342 0.899 1.000 0.812 CB 1.412 17 residues pruned to eliminate duplicates Z: 19 21.807 1.918 0.516 0.827 1.000 0.611 CA 1.332 19 residues pruned to eliminate duplicates Z: 12 14.702 1.853 0.653 0.753 0.818 0.727 CB 1.411 12 residues pruned to eliminate duplicates Z: 16 12.096 1.725 0.429 0.591 0.933 0.667 CB 1.245 16 residues pruned to eliminate duplicates Z: 14 14.759 1.687 0.473 0.852 1.000 0.769 CA 1.219 14 residues pruned to eliminate duplicates Z: 7 5.298 1.497 0.051 0.861 1.000 1.000 N 1.010 7 residues pruned to eliminate duplicates Z: 18 14.900 1.992 0.666 0.407 0.824 0.588 CA 1.458 20 residues pruned to eliminate duplicates Z: 6 8.527 1.787 0.329 0.765 1.000 0.800 CB 1.269 Z: 11 5.831 1.816 -0.169 0.728 0.900 0.600 CB 1.105 Z: 14 14.053 1.688 0.449 0.841 1.000 0.692 CA 1.188 14 residues pruned to eliminate duplicates Z: 6 3.136 1.287 0.623 0.376 0.800 0.400 CB 0.958 Z: 13 12.661 1.817 0.468 0.716 0.833 0.750 N 1.353 13 residues pruned to eliminate duplicates Z: 17 19.532 1.929 0.751 0.475 0.938 0.438 CB 1.582 Z: 6 3.868 1.776 0.299 0.322 0.800 0.200 CB 1.140 6 residues pruned to eliminate duplicates Z: 18 22.104 1.974 0.545 0.859 1.000 0.765 CA 1.294 18 residues pruned to eliminate duplicates Z: 12 11.522 1.888 0.422 0.660 1.000 1.000 CB 1.115 Z: 9 16.739 1.805 0.760 0.853 1.000 1.000 CB 1.377 9 residues pruned to eliminate duplicates Z: 6 2.289 1.430 0.397 0.271 0.600 0.400 O 1.108 6 residues pruned to eliminate duplicates Z: 8 11.865 1.789 0.419 0.876 1.000 1.000 CA 1.283 8 residues pruned to eliminate duplicates Z: 6 6.525 1.670 0.231 0.815 1.000 0.600 CA 1.080 6 residues pruned to eliminate duplicates Z: 14 12.251 1.797 0.545 0.427 0.923 0.692 CA 1.429 13 residues pruned to eliminate duplicates Z: 16 24.320 2.077 0.575 0.824 0.933 0.667 CB 1.553 16 residues pruned to eliminate duplicates Z: 6 3.835 1.399 0.744 0.823 1.000 0.400 CA 0.531 6 residues pruned to eliminate duplicates Z: 7 5.981 1.742 0.255 0.432 1.000 0.667 CB 1.198 Z: 41 25.440 1.915 0.612 0.522 0.900 0.500 CB 1.416 41 residues pruned to eliminate duplicates Z: 27 13.679 1.840 0.278 0.554 0.923 0.577 CB 1.173 27 residues pruned to eliminate duplicates Z: 11 11.798 2.040 0.793 0.492 0.800 0.800 CB 1.285 21 residues pruned to eliminate duplicates Z: 6 2.667 1.521 -0.300 0.558 1.000 0.600 CB 1.059 6 residues pruned to eliminate duplicates Z: 12 5.488 1.646 0.203 0.529 0.909 0.727 CB 0.893 Z: 13 13.640 1.521 0.934 0.682 1.000 0.750 CB 1.133 Z: 17 18.906 1.768 0.571 0.902 0.938 0.812 CA 1.295 16 residues pruned to eliminate duplicates Z: 17 25.358 1.792 0.841 0.938 1.000 0.812 CA 1.337 17 residues pruned to eliminate duplicates Z: 8 9.686 1.805 0.581 0.717 1.000 0.857 CA 1.054 8 residues pruned to eliminate duplicates Z: 8 11.235 1.805 0.625 0.861 1.000 0.857 CA 1.064 8 residues pruned to eliminate duplicates Z: 23 15.997 1.880 0.536 0.544 0.909 0.591 CB 1.245 23 residues pruned to eliminate duplicates Z: 26 17.156 1.952 0.556 0.357 0.920 0.440 CB 1.433 26 residues pruned to eliminate duplicates Z: 7 5.884 1.632 0.358 0.730 0.833 0.833 CB 1.057 7 residues pruned to eliminate duplicates Z: 19 23.312 1.850 0.762 0.804 1.000 0.833 CB 1.293 10 residues pruned to eliminate duplicates Z: 14 13.082 1.777 0.170 0.916 1.000 0.923 CA 1.232 14 residues pruned to eliminate duplicates Z: 16 8.256 1.647 0.422 0.437 0.800 0.400 CB 1.213 12 residues pruned to eliminate duplicates Z: 25 11.573 1.687 0.676 0.374 0.792 0.500 CB 1.208 25 residues pruned to eliminate duplicates Z: 9 16.395 1.790 0.862 0.849 1.000 1.000 CA 1.289 9 residues pruned to eliminate duplicates Z: 6 2.497 1.573 0.500 0.519 0.600 0.600 CB 0.774 6 residues pruned to eliminate duplicates Z: 10 4.805 1.751 0.214 0.437 0.778 0.444 CB 1.035 10 residues pruned to eliminate duplicates Z: 17 14.152 1.941 0.526 0.889 0.938 0.812 CB 0.917 17 residues pruned to eliminate duplicates Z: 34 24.488 1.901 0.503 0.622 0.939 0.515 CA 1.416 34 residues pruned to eliminate duplicates Z: 10 13.761 1.802 0.654 0.848 1.000 0.778 CB 1.142 9 residues pruned to eliminate duplicates Z: 19 18.585 1.772 0.832 0.585 0.889 0.722 CB 1.399 19 residues pruned to eliminate duplicates Z: 10 5.598 1.687 0.124 0.238 1.000 0.444 CB 1.334 10 residues pruned to eliminate duplicates Z: 7 4.423 1.631 0.424 0.454 0.667 0.500 CA 1.223 7 residues pruned to eliminate duplicates Z: 8 5.386 1.513 0.185 0.823 1.000 0.571 N 0.858 8 residues pruned to eliminate duplicates Z: 16 19.269 1.862 0.368 0.915 1.000 1.000 CA 1.380 16 residues pruned to eliminate duplicates Z: 21 12.696 1.936 0.394 0.378 0.800 0.500 CB 1.498 21 residues pruned to eliminate duplicates Z: 7 7.567 1.919 0.102 0.783 1.000 1.000 CB 1.139 Z: 25 16.150 1.847 0.594 0.508 0.875 0.625 CB 1.269 25 residues pruned to eliminate duplicates Z: 16 17.216 1.958 0.363 0.901 0.933 0.800 CA 1.273 15 residues pruned to eliminate duplicates Z: 9 9.642 1.628 0.583 0.812 1.000 0.875 CB 1.008 8 residues pruned to eliminate duplicates Z: 22 10.845 1.781 0.459 0.473 0.810 0.571 CB 1.156 17 residues pruned to eliminate duplicates Z: 6 8.813 1.854 0.845 0.799 1.000 1.000 CB 0.886 Z: 15 8.809 1.734 0.259 0.506 0.857 0.643 CA 1.250 15 residues pruned to eliminate duplicates Z: 18 13.543 1.822 0.377 0.554 0.882 0.647 N 1.408 18 residues pruned to eliminate duplicates Z: 12 14.668 1.879 0.401 0.670 1.000 0.727 CA 1.436 12 residues pruned to eliminate duplicates Z: 14 11.589 1.766 0.304 0.617 0.923 0.846 CB 1.354 10 residues pruned to eliminate duplicates Z: 11 6.195 1.562 0.022 0.796 0.900 0.700 CB 1.052 11 residues pruned to eliminate duplicates Z: 15 9.380 1.978 0.604 0.342 0.786 0.571 CB 1.194 15 residues pruned to eliminate duplicates Z: 20 16.483 1.858 0.803 0.512 0.842 0.579 CB 1.324 21 residues pruned to eliminate duplicates Z: 15 14.757 1.718 0.814 0.662 0.857 0.786 N 1.271 15 residues pruned to eliminate duplicates Z: 11 10.518 1.608 0.921 0.807 1.000 0.700 CB 0.823 11 residues pruned to eliminate duplicates Z: 40 19.971 2.024 0.615 0.322 0.872 0.410 CB 1.365 40 residues pruned to eliminate duplicates Z: 15 27.527 1.942 0.939 0.884 0.929 0.571 CB 1.520 15 residues pruned to eliminate duplicates Z: 6 2.577 1.023 1.220 0.828 0.800 0.600 CA 0.478 Z: 10 6.038 1.422 0.324 0.553 1.000 0.444 CB 1.015 4 residues pruned to eliminate duplicates Z: 19 24.270 1.925 0.591 0.827 0.944 0.778 CA 1.491 19 residues pruned to eliminate duplicates Z: 6 10.211 1.860 0.569 0.842 1.000 0.600 CB 1.166 6 residues pruned to eliminate duplicates Z: 7 6.100 1.874 -0.134 0.832 1.000 0.833 CB 1.152 Z: 8 6.218 1.789 0.053 0.877 1.000 0.857 CB 0.906 Z: 10 4.050 1.514 0.583 0.373 0.667 0.333 CB 0.968 Z: 6 3.590 1.724 -0.255 0.711 1.000 0.800 CB 1.032 Z: 15 24.380 1.977 0.685 0.932 1.000 0.786 CB 1.366 15 residues pruned to eliminate duplicates Z: 31 15.363 1.789 0.473 0.581 0.900 0.733 CB 1.094 31 residues pruned to eliminate duplicates Z: 20 22.033 1.960 0.546 0.736 0.947 0.632 CA 1.424 20 residues pruned to eliminate duplicates Z: 8 7.694 1.765 0.418 0.520 0.857 0.429 CB 1.329 11 residues pruned to eliminate duplicates Z: 18 24.179 1.974 0.585 0.884 0.882 0.706 CB 1.535 18 residues pruned to eliminate duplicates Z: 10 6.628 1.494 0.859 0.453 0.778 0.556 N 1.074 Z: 15 22.223 1.939 0.603 0.940 1.000 0.929 CA 1.327 15 residues pruned to eliminate duplicates Z: 16 24.435 1.818 0.747 0.899 1.000 0.600 N 1.420 17 residues pruned to eliminate duplicates Z: 17 23.092 1.787 0.774 0.878 0.938 0.688 CA 1.411 17 residues pruned to eliminate duplicates Z: 16 13.471 1.943 0.348 0.888 1.000 0.867 CB 0.956 45 residues pruned to eliminate duplicates Z: 6 2.832 1.669 0.056 0.458 0.800 0.400 CB 0.937 Z: 18 20.733 1.862 0.434 0.904 1.000 0.824 CB 1.342 17 residues pruned to eliminate duplicates Z: 22 16.398 2.009 0.550 0.375 0.905 0.619 CB 1.452 22 residues pruned to eliminate duplicates Z: 17 19.049 1.960 0.673 0.769 0.812 0.375 CB 1.408 17 residues pruned to eliminate duplicates Z: 9 7.496 1.778 0.403 0.702 1.000 0.500 CB 0.884 9 residues pruned to eliminate duplicates Z: 19 9.403 1.716 0.500 0.420 0.778 0.389 CB 1.204 19 residues pruned to eliminate duplicates Z: 10 11.050 1.665 0.371 0.907 1.000 1.000 CA 1.146 10 residues pruned to eliminate duplicates Z: 15 16.440 1.879 0.167 0.937 1.000 1.000 CB 1.395 15 residues pruned to eliminate duplicates Z: 17 16.084 1.774 0.601 0.877 0.938 0.750 CB 1.097 17 residues pruned to eliminate duplicates Z: 13 13.810 1.806 0.457 0.835 0.917 0.667 CB 1.238 13 residues pruned to eliminate duplicates Z: 15 6.608 1.632 0.311 0.355 0.857 0.571 CB 1.126 9 residues pruned to eliminate duplicates Z: 57 39.683 2.022 0.635 0.617 0.964 0.750 CB 1.489 57 residues pruned to eliminate duplicates Z: 17 14.929 1.792 0.696 0.661 0.875 0.688 CB 1.208 17 residues pruned to eliminate duplicates Z: 24 12.953 2.065 0.343 0.333 0.826 0.609 CB 1.416 24 residues pruned to eliminate duplicates Z: 18 15.697 1.866 0.335 0.641 0.941 0.647 CB 1.423 18 residues pruned to eliminate duplicates Z: 7 5.548 1.492 0.707 0.861 1.000 0.833 CB 0.653 6 residues pruned to eliminate duplicates Z: 7 5.127 1.244 0.568 0.525 1.000 0.833 CB 1.047 Z: 14 8.121 1.674 0.477 0.351 0.846 0.538 CB 1.265 14 residues pruned to eliminate duplicates 6 0.808 1.646 -0.078 0.283 0.600 0.400 CB 0.507 ? Z: 7 3.582 1.274 0.520 0.653 0.667 0.667 CA 0.982 Z: 11 14.163 1.680 0.554 0.887 1.000 0.700 CB 1.237 11 residues pruned to eliminate duplicates Z: 16 23.594 2.023 0.475 0.871 1.000 0.867 CB 1.489 16 residues pruned to eliminate duplicates Z: 18 23.102 1.977 0.541 0.832 0.882 0.765 CA 1.564 18 residues pruned to eliminate duplicates Z: 43 27.609 1.947 0.553 0.537 0.952 0.667 CB 1.428 43 residues pruned to eliminate duplicates Z: 12 16.468 1.761 0.779 0.799 1.000 0.727 CB 1.220 12 residues pruned to eliminate duplicates Z: 12 5.412 1.644 0.236 0.454 0.909 0.364 CB 0.926 Z: 20 24.568 1.969 0.526 0.883 0.947 0.842 CB 1.432 20 residues pruned to eliminate duplicates Z: 8 15.068 1.880 0.603 0.886 1.000 0.714 N 1.364 8 residues pruned to eliminate duplicates Z: 11 11.209 1.759 0.879 0.714 0.900 0.600 CB 0.981 11 residues pruned to eliminate duplicates Z: 7 7.192 1.674 0.304 0.538 1.000 0.500 CA 1.296 Z: 10 5.737 1.825 0.259 0.346 0.778 0.444 CA 1.266 Z: 6 4.858 1.905 0.422 0.817 1.000 0.800 CB 0.609 6 residues pruned to eliminate duplicates Z: 7 3.502 1.420 0.164 0.660 0.833 0.667 CB 0.894 Z: 13 17.520 1.608 1.042 0.736 1.000 0.833 CB 1.247 13 residues pruned to eliminate duplicates Z: 28 16.299 2.049 0.383 0.356 0.926 0.593 CB 1.395 28 residues pruned to eliminate duplicates Z: 7 6.273 1.743 0.414 0.455 1.000 0.667 CB 1.088 Z: 18 16.044 1.764 0.716 0.580 0.941 0.647 CB 1.264 22 residues pruned to eliminate duplicates Z: 10 6.689 1.619 0.094 0.559 0.889 0.778 O 1.337 10 residues pruned to eliminate duplicates Z: 6 6.827 1.999 0.623 0.639 0.800 0.800 CB 1.032 Z: 8 7.713 1.526 0.428 0.891 1.000 0.857 CB 0.961 8 residues pruned to eliminate duplicates Z: 21 24.770 1.907 0.609 0.806 1.000 0.700 CB 1.383 21 residues pruned to eliminate duplicates Z: 7 5.524 1.885 -0.125 0.780 1.000 0.833 CB 1.068 7 residues pruned to eliminate duplicates Z: 37 33.288 2.016 0.693 0.677 0.944 0.806 CB 1.462 37 residues pruned to eliminate duplicates Z: 6 5.205 1.720 0.065 0.851 1.000 1.000 CB 0.941 6 residues pruned to eliminate duplicates Z: 21 13.159 1.842 0.489 0.414 0.950 0.450 CB 1.236 21 residues pruned to eliminate duplicates Z: 11 11.724 1.663 0.939 0.676 0.900 0.700 CB 1.087 13 residues pruned to eliminate duplicates Z: 10 5.933 1.595 0.598 0.715 0.889 0.778 CB 0.719 Z: 8 4.816 1.791 -0.093 0.526 1.000 0.286 N 1.093 8 residues pruned to eliminate duplicates Z: 9 11.928 1.730 0.466 0.884 1.000 0.875 CB 1.202 9 residues pruned to eliminate duplicates Z: 6 3.669 1.854 -0.109 0.782 0.800 0.600 CB 0.969 6 residues pruned to eliminate duplicates Z: 16 26.925 1.937 0.868 0.930 1.000 0.533 CB 1.344 17 residues pruned to eliminate duplicates Z: 20 18.402 1.813 0.410 0.861 1.000 0.947 CA 1.213 20 residues pruned to eliminate duplicates Z: 11 7.304 1.651 0.774 0.427 0.900 0.600 CB 0.945 9 residues pruned to eliminate duplicates Z: 12 11.510 1.818 0.555 0.561 0.818 0.727 N 1.414 Z: 21 12.453 1.822 0.350 0.408 0.850 0.300 CA 1.467 21 residues pruned to eliminate duplicates Z: 7 8.414 1.938 0.446 0.768 1.000 0.833 CB 0.967 7 residues pruned to eliminate duplicates Z: 31 17.041 2.029 0.409 0.342 0.967 0.667 CB 1.337 31 residues pruned to eliminate duplicates Z: 8 5.919 1.668 0.561 0.399 0.857 0.714 CB 1.115 Z: 9 12.682 1.738 0.513 0.845 1.000 0.625 CB 1.268 9 residues pruned to eliminate duplicates Z: 6 2.084 1.379 0.057 0.532 0.600 0.600 CB 1.032 6 residues pruned to eliminate duplicates Z: 6 6.330 1.532 1.071 0.424 0.800 0.800 CB 1.207 6 residues pruned to eliminate duplicates Z: 8 7.410 1.706 0.407 0.619 0.857 0.714 CB 1.216 8 residues pruned to eliminate duplicates Z: 17 22.395 1.880 0.857 0.909 1.000 0.688 CB 1.138 17 residues pruned to eliminate duplicates Z: 10 4.300 1.763 -0.113 0.818 1.000 1.000 CB 0.696 Z: 82 35.073 1.981 0.553 0.460 0.914 0.568 CB 1.444 82 residues pruned to eliminate duplicates Z: 9 3.252 1.625 0.165 0.228 0.625 0.375 CB 1.334 Z: 24 12.105 1.778 0.625 0.373 0.826 0.522 CB 1.211 24 residues pruned to eliminate duplicates Z: 13 8.829 1.951 0.036 0.764 0.833 0.667 CB 1.197 13 residues pruned to eliminate duplicates Z: 15 7.040 1.778 -0.233 0.743 1.000 0.571 CB 1.110 15 residues pruned to eliminate duplicates Z: 7 6.378 1.617 0.186 0.850 1.000 1.000 CB 1.006 Z: 11 5.674 1.651 -0.003 0.630 1.000 0.600 CB 0.965 6 residues pruned to eliminate duplicates Z: 10 5.324 1.746 0.173 0.623 0.889 0.778 CB 0.868 Z: 14 12.698 1.815 0.425 0.627 0.846 0.769 N 1.428 24 residues pruned to eliminate duplicates Z: 25 14.868 1.951 0.495 0.291 1.000 0.500 CB 1.315 25 residues pruned to eliminate duplicates Z: 7 2.892 1.247 0.142 0.494 0.833 0.833 N 1.001 Z: 17 6.395 1.615 0.663 0.291 0.750 0.625 CB 1.003 15 residues pruned to eliminate duplicates Z: 13 7.146 1.438 0.563 0.445 0.833 0.583 N 1.166 Z: 9 3.379 1.813 0.094 0.288 0.625 0.375 CB 1.222 Z: 12 9.499 1.588 0.805 0.444 0.909 0.636 CB 1.165 12 residues pruned to eliminate duplicates Z: 6 4.566 1.564 0.395 0.438 1.000 0.800 N 0.999 6 residues pruned to eliminate duplicates Z: 31 14.870 1.846 0.404 0.452 0.867 0.633 CB 1.269 31 residues pruned to eliminate duplicates Z: 10 5.756 1.522 0.368 0.488 0.889 0.556 CB 1.049 Z: 11 7.620 1.577 0.317 0.618 1.000 0.800 CB 1.037 8 residues pruned to eliminate duplicates Z: 18 15.324 1.657 0.484 0.873 0.941 0.647 CA 1.169 18 residues pruned to eliminate duplicates Z: 10 13.129 1.627 0.769 0.899 1.000 0.667 CB 1.087 11 residues pruned to eliminate duplicates Z: 19 13.606 1.786 0.324 0.547 1.000 0.556 CB 1.296 19 residues pruned to eliminate duplicates Z: 35 10.884 1.730 0.433 0.372 0.824 0.471 CB 1.048 35 residues pruned to eliminate duplicates Z: 16 20.145 1.875 0.553 0.924 0.933 0.933 CB 1.344 16 residues pruned to eliminate duplicates Z: 8 6.941 1.777 0.488 0.505 0.857 0.571 CB 1.153 8 residues pruned to eliminate duplicates Z: 9 8.767 1.747 0.561 0.642 0.875 0.625 N 1.138 6 residues pruned to eliminate duplicates Z: 10 13.411 1.903 0.623 0.848 0.889 0.778 CA 1.208 10 residues pruned to eliminate duplicates Z: 12 4.469 1.425 0.619 0.271 0.727 0.545 CB 1.042 6 0.652 1.362 0.252 0.843 1.000 1.000 CB 0.127 ? Z: 17 11.719 1.960 0.258 0.417 0.875 0.250 CA 1.480 17 residues pruned to eliminate duplicates Z: 6 2.092 1.436 0.539 0.391 0.600 0.400 N 0.792 6 residues pruned to eliminate duplicates Z: 19 25.491 2.030 0.883 0.634 0.889 0.611 CB 1.559 19 residues pruned to eliminate duplicates Z: 18 17.141 1.912 0.463 0.835 0.882 0.647 CA 1.261 18 residues pruned to eliminate duplicates Z: 11 4.404 1.537 0.396 0.315 0.800 0.700 CB 0.996 Z: 7 9.821 1.662 0.765 0.644 1.000 0.833 CB 1.195 7 residues pruned to eliminate duplicates Z: 7 5.432 1.449 0.152 0.849 1.000 1.000 N 0.985 7 residues pruned to eliminate duplicates Z: 20 8.848 1.643 0.280 0.531 0.895 0.737 N 1.047 13 residues pruned to eliminate duplicates Z: 7 4.449 1.550 0.108 0.642 1.000 0.667 CB 0.926 6 residues pruned to eliminate duplicates Z: 10 3.985 1.359 0.555 0.270 0.778 0.333 CB 1.049 Z: 15 18.450 1.914 0.546 0.852 0.929 0.714 CA 1.327 15 residues pruned to eliminate duplicates Z: 7 5.397 1.911 -0.125 0.810 1.000 0.833 CB 1.006 Z: 51 30.592 1.961 0.586 0.598 0.960 0.680 CB 1.319 51 residues pruned to eliminate duplicates Z: 6 4.597 1.802 0.531 0.626 0.600 0.200 CB 1.103 6 residues pruned to eliminate duplicates Z: 6 5.783 1.517 0.711 0.510 1.000 0.600 CA 0.986 6 residues pruned to eliminate duplicates Z: 6 5.529 1.321 0.792 0.698 1.000 0.600 CB 0.872 Z: 9 6.623 1.820 -0.111 0.672 1.000 0.625 CB 1.235 Z: 8 3.105 1.155 0.816 0.386 0.714 0.571 CA 0.884 Z: 10 4.463 1.734 0.234 0.522 0.667 0.444 N 1.021 Z: 7 2.042 1.338 0.561 0.453 0.667 0.500 CB 0.628 Z: 19 16.277 1.959 0.412 0.449 0.944 0.444 CA 1.548 19 residues pruned to eliminate duplicates Z: 21 9.735 1.535 0.702 0.510 0.900 0.500 CB 0.917 21 residues pruned to eliminate duplicates Z: 10 10.825 1.666 0.499 0.795 1.000 0.889 CA 1.116 10 residues pruned to eliminate duplicates Z: 19 15.517 1.933 0.575 0.433 0.889 0.556 CA 1.449 19 residues pruned to eliminate duplicates Z: 27 20.245 1.819 0.617 0.693 0.885 0.692 CB 1.278 27 residues pruned to eliminate duplicates Z: 6 5.012 1.536 0.304 0.660 1.000 1.000 CB 0.965 6 0.981 1.135 0.834 0.243 0.400 0.200 N 0.709 ? Z: 19 17.928 1.790 0.637 0.808 0.944 0.556 CA 1.167 19 residues pruned to eliminate duplicates Z: 11 5.666 1.739 0.421 0.335 0.800 0.500 CA 1.085 11 residues pruned to eliminate duplicates Z: 8 8.783 1.503 0.820 0.877 1.000 0.857 CB 0.882 8 residues pruned to eliminate duplicates Z: 20 19.998 1.774 0.931 0.844 0.842 0.526 CB 1.183 20 residues pruned to eliminate duplicates Z: 16 19.952 1.783 1.148 0.841 0.867 0.400 CB 1.157 16 residues pruned to eliminate duplicates Z: 35 17.574 1.905 0.423 0.390 0.794 0.529 CA 1.574 34 residues pruned to eliminate duplicates Z: 24 11.202 1.611 0.587 0.547 0.783 0.478 CB 1.115 26 residues pruned to eliminate duplicates Z: 6 4.282 1.520 0.691 0.492 0.800 0.600 CB 0.940 Z: 15 20.947 1.894 0.737 0.864 0.929 0.571 CB 1.344 15 residues pruned to eliminate duplicates Z: 9 7.521 1.854 0.112 0.560 1.000 0.375 CB 1.218 Z: 8 2.957 1.526 0.318 0.374 0.571 0.286 CB 1.112 6 residues pruned to eliminate duplicates Z: 8 13.333 1.855 0.514 0.782 1.000 0.714 CA 1.399 8 residues pruned to eliminate duplicates Z: 17 26.383 2.012 0.687 0.832 1.000 0.625 CA 1.459 17 residues pruned to eliminate duplicates Z: 10 4.211 1.473 0.445 0.272 0.778 0.444 CA 1.098 6 residues pruned to eliminate duplicates Z: 10 11.142 1.517 0.818 0.814 0.889 0.778 CB 1.153 20 residues pruned to eliminate duplicates Z: 6 3.310 1.535 0.066 0.391 1.000 0.400 N 1.015 Z: 11 3.108 1.452 0.237 0.253 0.900 0.600 CB 0.808 Using tripeptides from previous cycle as seeds Z: 8 13.604 1.961 0.524 0.771 1.000 1.000 CB 1.354 7 residues pruned to eliminate duplicates Z: 9 8.820 1.839 0.220 0.800 0.875 0.750 CB 1.221 9 residues pruned to eliminate duplicates Z: 13 8.319 1.789 0.389 0.616 0.833 0.583 CB 1.039 10 residues pruned to eliminate duplicates Z: 10 9.686 1.712 0.535 0.876 1.000 0.778 CB 0.893 10 residues pruned to eliminate duplicates Z: 12 10.618 1.723 0.521 0.629 0.818 0.364 CB 1.323 12 residues pruned to eliminate duplicates Z: 10 13.194 1.808 0.547 0.779 1.000 0.556 CB 1.229 10 residues pruned to eliminate duplicates Z: 13 11.558 1.700 0.544 0.597 0.917 0.750 CB 1.264 13 residues pruned to eliminate duplicates Z: 11 8.641 1.708 0.941 0.530 0.700 0.400 CB 1.143 11 residues pruned to eliminate duplicates Z: 18 9.498 1.731 0.748 0.428 0.824 0.412 CB 0.996 18 residues pruned to eliminate duplicates Z: 20 10.818 1.763 0.483 0.532 0.947 0.526 CB 0.971 17 residues pruned to eliminate duplicates Z: 16 23.150 1.902 0.763 0.920 0.933 0.733 CB 1.345 16 residues pruned to eliminate duplicates Z: 16 23.170 1.910 0.816 0.873 1.000 0.667 CB 1.256 16 residues pruned to eliminate duplicates Z: 16 24.182 1.883 0.733 0.925 1.000 0.733 CB 1.342 16 residues pruned to eliminate duplicates Z: 14 25.421 1.983 0.840 0.884 1.000 0.769 CA 1.396 14 residues pruned to eliminate duplicates Z: 15 26.210 1.973 0.939 0.928 0.929 0.857 CB 1.381 15 residues pruned to eliminate duplicates Z: 14 23.146 1.959 0.850 0.923 0.923 0.769 CA 1.348 14 residues pruned to eliminate duplicates Z: 15 25.597 1.975 0.802 0.904 1.000 0.643 CB 1.370 15 residues pruned to eliminate duplicates Z: 15 22.938 1.971 0.835 0.819 0.929 0.643 CB 1.384 15 residues pruned to eliminate duplicates Z: 14 22.124 1.979 0.881 0.921 0.846 0.846 CB 1.371 14 residues pruned to eliminate duplicates Z: 16 23.335 1.887 0.957 0.880 1.000 0.733 CB 1.182 16 residues pruned to eliminate duplicates Z: 16 23.902 1.892 1.033 0.867 0.933 0.800 CB 1.257 16 residues pruned to eliminate duplicates Z: 15 28.161 1.958 0.963 0.929 1.000 0.786 CB 1.370 15 residues pruned to eliminate duplicates Z: 15 29.209 1.987 0.941 0.940 1.000 0.786 CB 1.406 15 residues pruned to eliminate duplicates Z: 16 22.429 1.890 0.576 0.903 0.933 0.667 CA 1.485 16 residues pruned to eliminate duplicates Z: 16 25.156 1.899 0.735 0.853 1.000 0.800 CA 1.457 16 residues pruned to eliminate duplicates Z: 12 12.891 1.867 0.484 0.585 1.000 0.455 CB 1.293 12 residues pruned to eliminate duplicates Z: 15 25.489 1.932 0.695 0.915 1.000 0.714 CB 1.470 15 residues pruned to eliminate duplicates Z: 16 24.841 1.868 0.902 0.851 1.000 0.733 CB 1.336 16 residues pruned to eliminate duplicates Z: 15 26.876 1.946 0.777 0.910 1.000 0.714 CA 1.473 15 residues pruned to eliminate duplicates Z: 16 27.552 1.875 0.884 0.924 1.000 0.800 CB 1.414 16 residues pruned to eliminate duplicates Z: 16 26.024 1.863 0.848 0.882 1.000 0.733 CA 1.413 16 residues pruned to eliminate duplicates Z: 15 27.899 1.949 0.833 0.893 1.000 0.929 CA 1.498 15 residues pruned to eliminate duplicates Z: 16 26.082 1.902 0.850 0.846 1.000 0.733 CB 1.422 16 residues pruned to eliminate duplicates Z: 16 22.348 1.887 0.594 0.850 1.000 0.800 CA 1.421 16 residues pruned to eliminate duplicates Z: 17 24.278 1.768 0.999 0.804 1.000 0.688 CB 1.317 17 residues pruned to eliminate duplicates Z: 17 26.325 1.813 0.932 0.873 1.000 0.625 CB 1.368 16 residues pruned to eliminate duplicates Z: 17 22.907 1.870 0.674 0.812 0.938 0.875 CB 1.487 17 residues pruned to eliminate duplicates Z: 27 25.253 1.983 0.736 0.623 0.885 0.577 CB 1.447 27 residues pruned to eliminate duplicates Z: 14 22.190 2.002 0.696 0.769 1.000 0.615 CA 1.428 14 residues pruned to eliminate duplicates Z: 15 25.910 1.926 0.729 0.899 1.000 0.643 CB 1.486 15 residues pruned to eliminate duplicates Z: 15 21.132 1.900 0.743 0.720 0.929 0.643 CA 1.506 15 residues pruned to eliminate duplicates Z: 15 24.112 1.937 0.844 0.733 1.000 0.500 CB 1.464 15 residues pruned to eliminate duplicates Z: 15 22.480 1.949 0.878 0.733 0.929 0.500 CB 1.433 15 residues pruned to eliminate duplicates Z: 16 20.643 1.942 0.897 0.669 0.867 0.533 CB 1.429 16 residues pruned to eliminate duplicates Z: 16 18.893 1.946 0.812 0.666 0.867 0.533 CB 1.368 16 residues pruned to eliminate duplicates Z: 15 21.085 1.911 0.762 0.729 0.929 0.643 CA 1.466 15 residues pruned to eliminate duplicates Z: 15 19.289 1.915 0.758 0.713 0.857 0.571 CA 1.472 15 residues pruned to eliminate duplicates Z: 37 35.287 1.947 0.691 0.728 1.000 0.694 CB 1.454 37 residues pruned to eliminate duplicates Z: 37 29.929 1.941 0.633 0.674 0.944 0.611 CB 1.419 37 residues pruned to eliminate duplicates Z: 37 25.594 1.911 0.450 0.668 0.944 0.611 CB 1.396 37 residues pruned to eliminate duplicates Z: 36 31.769 1.983 0.572 0.740 0.971 0.743 CB 1.429 36 residues pruned to eliminate duplicates Z: 36 31.944 1.925 0.687 0.700 0.971 0.600 CB 1.426 36 residues pruned to eliminate duplicates Z: 39 32.171 1.882 0.660 0.687 1.000 0.632 CB 1.406 39 residues pruned to eliminate duplicates Z: 38 29.490 1.922 0.634 0.667 0.973 0.568 CB 1.360 38 residues pruned to eliminate duplicates Z: 37 33.249 1.936 0.702 0.708 1.000 0.583 CB 1.392 37 residues pruned to eliminate duplicates Z: 38 30.947 1.923 0.763 0.696 0.946 0.622 CB 1.326 38 residues pruned to eliminate duplicates Z: 39 31.785 1.914 0.727 0.697 0.947 0.684 CB 1.375 39 residues pruned to eliminate duplicates Z: 29 30.459 2.004 0.710 0.761 0.964 0.571 CB 1.382 29 residues pruned to eliminate duplicates Z: 37 32.466 1.946 0.739 0.733 0.944 0.556 CB 1.373 37 residues pruned to eliminate duplicates Z: 39 27.880 1.887 0.774 0.654 0.947 0.553 CB 1.236 39 residues pruned to eliminate duplicates Z: 37 31.790 1.929 0.842 0.705 0.917 0.694 CB 1.350 37 residues pruned to eliminate duplicates Z: 40 30.851 1.903 0.843 0.656 0.949 0.590 CB 1.285 40 residues pruned to eliminate duplicates Z: 22 19.940 1.917 0.627 0.644 0.905 0.667 CB 1.349 22 residues pruned to eliminate duplicates Z: 37 33.579 1.941 0.726 0.731 1.000 0.722 CB 1.358 37 residues pruned to eliminate duplicates Z: 21 21.158 1.942 0.613 0.653 0.950 0.750 CB 1.379 21 residues pruned to eliminate duplicates Z: 38 32.898 1.941 0.777 0.707 0.946 0.622 CB 1.374 38 residues pruned to eliminate duplicates Z: 38 25.341 1.909 0.691 0.653 0.865 0.541 CB 1.295 38 residues pruned to eliminate duplicates Z: 39 28.734 1.885 0.674 0.720 0.921 0.658 CB 1.314 39 residues pruned to eliminate duplicates Z: 62 35.053 1.912 0.644 0.630 0.967 0.557 CB 1.306 62 residues pruned to eliminate duplicates Z: 48 28.450 1.887 0.637 0.651 0.936 0.574 CB 1.247 48 residues pruned to eliminate duplicates Z: 61 34.784 1.945 0.589 0.684 0.950 0.617 CB 1.292 61 residues pruned to eliminate duplicates Z: 47 28.417 1.905 0.740 0.666 0.891 0.587 CB 1.216 47 residues pruned to eliminate duplicates 7 1.092 1.501 0.105 0.151 0.500 0.167 CB 0.826 ? Z: 26 22.496 1.886 0.633 0.636 1.000 0.680 CB 1.286 26 residues pruned to eliminate duplicates Z: 62 35.616 1.912 0.725 0.664 0.934 0.689 CB 1.270 62 residues pruned to eliminate duplicates Z: 25 22.875 1.897 0.710 0.623 0.958 0.667 CB 1.338 25 residues pruned to eliminate duplicates Z: 25 24.069 1.921 0.687 0.653 1.000 0.667 CB 1.315 25 residues pruned to eliminate duplicates Z: 26 21.934 1.895 0.626 0.600 1.000 0.520 CB 1.294 26 residues pruned to eliminate duplicates Z: 24 19.067 1.904 0.732 0.628 0.826 0.565 CB 1.294 24 residues pruned to eliminate duplicates Z: 11 3.244 1.768 0.117 0.325 0.700 0.300 CB 0.900 11 residues pruned to eliminate duplicates Z: 26 22.875 1.897 0.658 0.660 1.000 0.760 CB 1.254 26 residues pruned to eliminate duplicates Z: 20 17.332 1.816 0.783 0.588 0.947 0.579 CB 1.191 20 residues pruned to eliminate duplicates Z: 61 38.544 1.962 0.712 0.696 0.950 0.700 CB 1.304 61 residues pruned to eliminate duplicates Z: 25 15.766 1.887 0.538 0.575 0.833 0.583 CB 1.237 25 residues pruned to eliminate duplicates Z: 62 36.138 1.913 0.736 0.643 0.918 0.574 CB 1.328 62 residues pruned to eliminate duplicates Z: 23 20.341 1.933 0.659 0.629 0.955 0.591 CB 1.255 23 residues pruned to eliminate duplicates Z: 23 23.847 1.951 0.828 0.644 0.955 0.682 CB 1.306 23 residues pruned to eliminate duplicates Z: 23 23.305 1.963 0.664 0.667 1.000 0.682 CB 1.303 23 residues pruned to eliminate duplicates Z: 23 22.603 1.942 0.831 0.663 0.955 0.682 CB 1.220 23 residues pruned to eliminate duplicates Z: 25 20.939 1.904 0.771 0.621 0.917 0.667 CB 1.233 25 residues pruned to eliminate duplicates Z: 26 19.982 1.862 0.642 0.616 0.960 0.640 CB 1.220 26 residues pruned to eliminate duplicates Z: 26 17.611 1.897 0.720 0.541 0.920 0.560 CB 1.127 26 residues pruned to eliminate duplicates Z: 15 21.881 1.992 0.801 0.586 0.929 0.571 CB 1.616 15 residues pruned to eliminate duplicates Z: 14 25.327 2.051 0.770 0.642 1.000 0.692 CB 1.695 14 residues pruned to eliminate duplicates Z: 21 17.000 1.888 0.686 0.529 0.900 0.550 CB 1.290 21 residues pruned to eliminate duplicates Z: 20 13.421 1.881 0.337 0.524 0.895 0.474 CB 1.336 20 residues pruned to eliminate duplicates Z: 20 10.875 1.828 0.306 0.508 0.842 0.579 CB 1.231 20 residues pruned to eliminate duplicates Z: 20 16.709 1.876 0.493 0.537 0.895 0.632 CB 1.475 20 residues pruned to eliminate duplicates Z: 20 15.914 1.761 0.408 0.574 0.947 0.579 CA 1.448 20 residues pruned to eliminate duplicates Z: 22 15.800 1.810 0.377 0.526 0.952 0.571 CB 1.416 22 residues pruned to eliminate duplicates Z: 19 11.242 1.818 0.334 0.544 0.833 0.778 CB 1.256 19 residues pruned to eliminate duplicates Z: 36 17.132 1.861 0.527 0.450 0.800 0.486 CB 1.341 61 residues pruned to eliminate duplicates Z: 20 13.034 1.784 0.374 0.562 0.842 0.526 CB 1.364 Z: 6 5.247 1.364 0.681 0.436 1.000 0.400 CA 1.094 6 residues pruned to eliminate duplicates Z: 21 14.294 1.792 0.494 0.490 0.950 0.550 CB 1.269 20 residues pruned to eliminate duplicates Z: 12 12.588 1.772 0.341 0.674 1.000 0.636 CB 1.361 13 residues pruned to eliminate duplicates Z: 11 12.656 1.704 0.489 0.723 1.000 0.500 CA 1.290 11 residues pruned to eliminate duplicates Z: 10 14.956 1.772 0.562 0.826 1.000 0.778 CA 1.358 10 residues pruned to eliminate duplicates Z: 10 14.048 1.734 0.496 0.832 1.000 1.000 CA 1.355 10 residues pruned to eliminate duplicates Z: 14 11.050 1.754 0.734 0.556 0.846 0.538 CB 1.127 13 residues pruned to eliminate duplicates Z: 10 13.099 1.703 0.578 0.811 1.000 0.889 CA 1.239 11 residues pruned to eliminate duplicates Z: 11 14.215 1.661 0.519 0.817 1.000 0.800 CA 1.353 10 residues pruned to eliminate duplicates Z: 9 12.450 1.744 0.836 0.818 0.875 0.625 CB 1.192 9 residues pruned to eliminate duplicates Z: 18 19.272 1.908 0.535 0.625 1.000 0.588 CB 1.418 21 residues pruned to eliminate duplicates Z: 10 19.633 1.765 0.913 0.762 1.000 0.333 N 1.536 9 residues pruned to eliminate duplicates Z: 8 5.678 1.375 0.626 0.529 1.000 0.571 CA 0.933 8 residues pruned to eliminate duplicates Z: 38 22.019 2.068 0.654 0.343 0.865 0.649 CB 1.452 38 residues pruned to eliminate duplicates Z: 8 6.296 1.696 0.587 0.326 0.857 0.286 CB 1.249 8 residues pruned to eliminate duplicates Z: 15 9.833 1.862 0.339 0.350 0.929 0.571 CB 1.336 15 residues pruned to eliminate duplicates Z: 7 8.129 1.538 0.917 0.522 0.833 0.333 C 1.322 7 residues pruned to eliminate duplicates Z: 34 17.450 2.111 0.630 0.285 0.818 0.606 CB 1.374 34 residues pruned to eliminate duplicates Z: 8 11.696 2.044 0.845 0.369 1.000 0.571 CB 1.349 10 residues pruned to eliminate duplicates Z: 6 2.613 1.433 0.386 0.244 0.800 0.200 CA 0.988 Z: 6 6.109 1.723 0.622 0.344 1.000 0.600 CA 1.158 2 residues pruned to eliminate duplicates Z: 34 19.147 2.058 0.642 0.342 0.848 0.636 CB 1.381 44 residues pruned to eliminate duplicates Z: 22 14.479 2.186 0.502 0.347 0.810 0.524 CB 1.403 22 residues pruned to eliminate duplicates Z: 33 18.976 2.128 0.481 0.315 0.844 0.562 CA 1.549 33 residues pruned to eliminate duplicates Z: 7 5.449 1.803 0.855 0.426 0.833 0.667 CA 0.862 7 residues pruned to eliminate duplicates Z: 36 22.294 2.074 0.481 0.352 0.971 0.571 CB 1.482 36 residues pruned to eliminate duplicates Z: 33 20.840 2.166 0.477 0.337 0.875 0.656 CA 1.572 33 residues pruned to eliminate duplicates Z: 7 5.658 2.326 0.148 0.311 0.667 0.500 CB 1.599 7 residues pruned to eliminate duplicates Z: 34 20.875 2.104 0.593 0.338 0.879 0.697 CB 1.472 34 residues pruned to eliminate duplicates Z: 37 16.897 2.035 0.425 0.308 0.944 0.528 CB 1.273 29 residues pruned to eliminate duplicates Z: 9 14.183 2.017 0.816 0.494 1.000 0.750 CB 1.377 9 residues pruned to eliminate duplicates Z: 36 17.286 2.051 0.318 0.290 0.914 0.571 CB 1.496 29 residues pruned to eliminate duplicates Z: 6 5.072 1.757 0.607 0.407 1.000 0.200 N 0.886 6 residues pruned to eliminate duplicates Z: 36 19.794 2.057 0.553 0.330 0.857 0.514 CA 1.472 36 residues pruned to eliminate duplicates Z: 25 13.630 2.128 0.483 0.254 0.792 0.542 CA 1.478 25 residues pruned to eliminate duplicates Z: 23 17.036 2.178 0.623 0.317 0.864 0.545 CA 1.456 23 residues pruned to eliminate duplicates Z: 23 15.629 2.110 0.560 0.300 0.864 0.636 CA 1.466 23 residues pruned to eliminate duplicates Z: 6 2.097 1.620 0.429 0.246 0.600 0.200 CB 0.904 Z: 6 4.971 1.560 0.491 0.424 1.000 0.400 CB 1.034 6 residues pruned to eliminate duplicates Z: 16 10.611 1.708 0.644 0.541 0.867 0.600 CB 1.082 16 residues pruned to eliminate duplicates Z: 6 3.406 1.450 0.939 0.295 0.800 0.800 N 0.852 6 residues pruned to eliminate duplicates Z: 8 9.530 1.915 0.664 0.387 1.000 0.429 CB 1.275 8 residues pruned to eliminate duplicates Z: 24 8.859 1.579 0.604 0.327 0.870 0.348 CB 1.014 23 residues pruned to eliminate duplicates Z: 7 8.419 1.521 0.798 0.812 1.000 0.667 CB 0.957 8 residues pruned to eliminate duplicates Z: 7 6.287 1.496 0.498 0.832 1.000 0.500 CB 0.860 7 residues pruned to eliminate duplicates Z: 10 5.189 1.462 0.672 0.522 0.889 0.333 CB 0.779 10 residues pruned to eliminate duplicates Z: 16 11.392 1.631 0.705 0.542 0.933 0.400 CB 1.088 16 residues pruned to eliminate duplicates Z: 7 5.047 1.429 0.490 0.796 1.000 0.333 CB 0.747 7 residues pruned to eliminate duplicates Z: 21 9.127 1.558 0.572 0.385 0.900 0.300 CB 1.046 21 residues pruned to eliminate duplicates Z: 30 16.753 1.863 0.461 0.545 0.897 0.621 CA 1.220 30 residues pruned to eliminate duplicates Z: 11 11.665 1.905 0.561 0.521 0.900 0.500 CA 1.350 11 residues pruned to eliminate duplicates Z: 19 14.322 1.777 0.739 0.452 0.833 0.500 CB 1.377 19 residues pruned to eliminate duplicates Z: 31 17.301 1.828 0.485 0.510 0.967 0.600 CB 1.192 31 residues pruned to eliminate duplicates Z: 23 11.658 1.851 0.547 0.389 0.818 0.409 CB 1.193 23 residues pruned to eliminate duplicates Z: 27 13.948 1.874 0.474 0.433 0.808 0.462 CB 1.314 41 residues pruned to eliminate duplicates Z: 11 6.249 1.451 0.592 0.608 0.900 0.600 CA 0.858 11 residues pruned to eliminate duplicates Z: 19 14.771 1.922 0.556 0.466 0.889 0.611 CB 1.356 19 residues pruned to eliminate duplicates Z: 28 17.947 1.874 0.615 0.477 0.889 0.667 CB 1.314 28 residues pruned to eliminate duplicates Z: 13 8.038 1.706 0.486 0.399 0.833 0.417 CB 1.222 13 residues pruned to eliminate duplicates Z: 23 15.061 1.865 0.711 0.395 0.864 0.591 CB 1.302 23 residues pruned to eliminate duplicates Z: 40 18.173 1.810 0.353 0.558 0.949 0.769 CB 1.184 40 residues pruned to eliminate duplicates Z: 21 15.230 1.895 0.544 0.437 0.850 0.600 CB 1.462 21 residues pruned to eliminate duplicates Z: 37 21.260 1.892 0.542 0.625 0.889 0.639 CB 1.215 37 residues pruned to eliminate duplicates Z: 22 12.593 1.826 0.531 0.588 0.810 0.571 CB 1.116 22 residues pruned to eliminate duplicates Z: 21 14.984 1.882 0.505 0.680 0.950 0.650 CB 1.055 21 residues pruned to eliminate duplicates Z: 54 20.629 1.808 0.523 0.508 0.925 0.642 CB 1.104 54 residues pruned to eliminate duplicates Z: 18 12.140 1.842 0.538 0.578 0.882 0.588 CB 1.093 18 residues pruned to eliminate duplicates Z: 52 25.531 1.872 0.505 0.519 0.941 0.686 CB 1.323 52 residues pruned to eliminate duplicates Z: 53 25.367 1.839 0.570 0.519 0.942 0.615 CB 1.269 53 residues pruned to eliminate duplicates Z: 30 18.961 1.869 0.599 0.545 0.931 0.483 CB 1.211 30 residues pruned to eliminate duplicates Z: 30 17.037 1.775 0.475 0.671 0.897 0.621 CB 1.151 30 residues pruned to eliminate duplicates Z: 30 19.381 1.815 0.531 0.662 0.931 0.724 CB 1.196 30 residues pruned to eliminate duplicates Z: 68 29.888 1.898 0.578 0.536 0.910 0.597 CB 1.292 68 residues pruned to eliminate duplicates Z: 44 25.576 1.864 0.637 0.573 0.953 0.628 CB 1.249 44 residues pruned to eliminate duplicates Z: 39 23.503 1.843 0.705 0.611 0.921 0.526 CB 1.186 39 residues pruned to eliminate duplicates Z: 41 22.602 1.798 0.668 0.633 0.825 0.600 CB 1.275 41 residues pruned to eliminate duplicates Z: 57 22.219 1.767 0.570 0.506 0.875 0.518 CB 1.216 57 residues pruned to eliminate duplicates Z: 41 24.028 1.868 0.607 0.590 0.925 0.475 CB 1.256 48 residues pruned to eliminate duplicates Z: 18 19.193 1.809 0.674 0.868 0.941 0.588 CA 1.193 18 residues pruned to eliminate duplicates Z: 36 21.876 1.810 0.700 0.566 0.914 0.486 CB 1.232 36 residues pruned to eliminate duplicates Z: 51 22.490 1.860 0.662 0.474 0.920 0.540 CB 1.148 51 residues pruned to eliminate duplicates Z: 54 27.435 1.863 0.617 0.546 0.943 0.623 CB 1.268 53 residues pruned to eliminate duplicates Z: 6 7.817 1.641 0.788 0.463 1.000 0.600 CB 1.237 6 residues pruned to eliminate duplicates Z: 51 27.921 1.867 0.667 0.533 0.980 0.500 CB 1.253 50 residues pruned to eliminate duplicates Z: 6 3.421 1.425 0.587 0.309 0.800 0.800 N 1.045 Z: 15 18.120 1.855 1.008 0.634 0.929 0.714 CB 1.235 21 residues pruned to eliminate duplicates Z: 21 19.929 1.956 0.597 0.645 0.900 0.750 CB 1.384 21 residues pruned to eliminate duplicates Z: 18 13.837 1.857 0.558 0.565 0.824 0.588 CB 1.323 18 residues pruned to eliminate duplicates Z: 10 12.424 1.922 0.255 0.701 1.000 0.667 CB 1.430 10 residues pruned to eliminate duplicates Z: 20 21.734 1.984 0.611 0.635 0.947 0.684 CB 1.450 20 residues pruned to eliminate duplicates Z: 14 16.574 1.834 0.962 0.692 0.846 0.692 CB 1.266 14 residues pruned to eliminate duplicates Z: 21 19.811 2.014 0.685 0.594 0.900 0.650 CB 1.325 21 residues pruned to eliminate duplicates Z: 12 23.834 1.995 1.076 0.759 1.000 0.818 CB 1.377 12 residues pruned to eliminate duplicates Z: 23 22.596 1.911 0.787 0.622 0.909 0.636 CB 1.383 23 residues pruned to eliminate duplicates Z: 28 20.080 1.774 0.720 0.534 0.889 0.593 CB 1.378 28 residues pruned to eliminate duplicates Z: 21 20.210 1.960 0.750 0.583 0.950 0.700 CB 1.280 21 residues pruned to eliminate duplicates Z: 10 11.154 1.921 0.558 0.454 0.889 0.444 CB 1.466 10 residues pruned to eliminate duplicates Z: 22 17.018 1.919 0.767 0.569 0.905 0.714 CB 1.131 22 residues pruned to eliminate duplicates Z: 11 11.686 1.880 0.769 0.498 0.900 0.600 CB 1.236 11 residues pruned to eliminate duplicates Z: 57 27.280 1.994 0.645 0.421 0.929 0.643 CB 1.299 120 residues pruned to eliminate duplicates Z: 31 24.587 1.832 0.765 0.655 0.900 0.567 CB 1.335 31 residues pruned to eliminate duplicates Z: 21 21.649 1.905 0.793 0.643 0.900 0.700 CB 1.378 21 residues pruned to eliminate duplicates Z: 10 15.431 1.935 0.766 0.658 0.889 0.667 CB 1.462 10 residues pruned to eliminate duplicates Z: 44 31.812 1.931 0.701 0.674 0.884 0.674 CB 1.424 44 residues pruned to eliminate duplicates Z: 44 31.845 1.908 0.718 0.646 0.907 0.651 CB 1.426 55 residues pruned to eliminate duplicates Z: 24 28.012 1.912 0.704 0.769 0.913 0.783 CB 1.547 24 residues pruned to eliminate duplicates Z: 24 28.862 1.911 0.771 0.751 0.957 0.870 CB 1.486 24 residues pruned to eliminate duplicates Z: 25 25.182 1.827 0.723 0.669 0.917 0.750 N 1.524 25 residues pruned to eliminate duplicates Z: 25 24.972 1.859 0.582 0.720 0.958 0.750 CB 1.483 25 residues pruned to eliminate duplicates Z: 25 26.657 1.848 0.777 0.736 0.917 0.792 CA 1.462 25 residues pruned to eliminate duplicates Z: 24 29.206 1.914 0.750 0.762 0.957 0.739 CA 1.507 24 residues pruned to eliminate duplicates Z: 20 21.907 1.937 0.810 0.729 0.895 0.842 CB 1.303 20 residues pruned to eliminate duplicates Z: 25 25.542 1.885 0.648 0.727 0.958 0.750 CB 1.427 25 residues pruned to eliminate duplicates Z: 25 24.084 1.835 0.660 0.729 0.958 0.750 CB 1.370 25 residues pruned to eliminate duplicates Z: 24 23.437 1.825 0.648 0.670 1.000 0.826 CB 1.389 24 residues pruned to eliminate duplicates Z: 24 26.447 1.899 0.825 0.751 0.870 0.739 CB 1.463 24 residues pruned to eliminate duplicates Z: 21 28.897 1.924 0.823 0.777 0.950 0.750 CB 1.518 21 residues pruned to eliminate duplicates Z: 22 22.416 1.907 0.696 0.754 0.905 0.667 CB 1.333 22 residues pruned to eliminate duplicates Z: 24 25.885 1.867 0.621 0.745 0.913 0.696 CB 1.569 24 residues pruned to eliminate duplicates Z: 24 27.279 1.876 0.698 0.754 1.000 0.783 CB 1.423 24 residues pruned to eliminate duplicates Z: 40 30.677 1.936 0.725 0.594 0.923 0.667 CB 1.457 40 residues pruned to eliminate duplicates Z: 21 24.335 1.886 0.763 0.801 0.900 0.850 CB 1.398 21 residues pruned to eliminate duplicates Z: 21 23.630 1.872 0.709 0.800 0.900 0.700 CB 1.412 21 residues pruned to eliminate duplicates Z: 26 26.748 1.868 0.782 0.700 0.920 0.800 CB 1.455 26 residues pruned to eliminate duplicates Z: 32 26.213 1.843 0.782 0.607 0.903 0.710 CB 1.433 32 residues pruned to eliminate duplicates Z: 22 20.807 1.816 0.835 0.699 0.857 0.667 CB 1.326 22 residues pruned to eliminate duplicates Z: 12 11.194 1.940 0.360 0.501 0.909 0.455 CA 1.406 12 residues pruned to eliminate duplicates Z: 42 26.642 1.945 0.695 0.480 0.927 0.585 CB 1.389 42 residues pruned to eliminate duplicates Z: 11 12.672 2.052 0.411 0.490 0.900 0.500 CA 1.552 11 residues pruned to eliminate duplicates Z: 46 29.576 1.991 0.538 0.566 0.978 0.822 CB 1.381 46 residues pruned to eliminate duplicates Z: 28 15.140 1.843 0.591 0.425 0.889 0.741 CB 1.208 28 residues pruned to eliminate duplicates Z: 10 19.135 2.142 0.574 0.654 1.000 0.667 N 1.639 10 residues pruned to eliminate duplicates Z: 12 13.257 2.040 0.599 0.472 0.818 0.636 N 1.541 12 residues pruned to eliminate duplicates Z: 49 26.803 1.981 0.334 0.622 0.958 0.729 CB 1.362 49 residues pruned to eliminate duplicates Z: 49 30.476 1.978 0.455 0.616 1.000 0.729 CB 1.370 49 residues pruned to eliminate duplicates Z: 29 20.105 1.934 0.524 0.534 0.929 0.714 CB 1.342 29 residues pruned to eliminate duplicates Z: 15 11.061 1.790 0.401 0.655 0.929 0.714 CB 1.099 15 residues pruned to eliminate duplicates Z: 40 26.046 1.955 0.492 0.643 0.974 0.769 CB 1.283 40 residues pruned to eliminate duplicates Z: 13 6.891 1.792 0.295 0.506 0.917 0.583 CB 0.929 13 residues pruned to eliminate duplicates Z: 19 17.629 1.923 0.587 0.670 0.889 0.722 CB 1.310 19 residues pruned to eliminate duplicates Z: 48 31.312 2.010 0.432 0.602 0.979 0.702 CB 1.471 48 residues pruned to eliminate duplicates Z: 18 20.333 1.933 0.579 0.716 1.000 0.706 CB 1.329 18 residues pruned to eliminate duplicates Z: 30 22.410 1.949 0.680 0.562 0.862 0.690 CB 1.389 30 residues pruned to eliminate duplicates Z: 43 29.234 2.006 0.558 0.573 0.976 0.667 CB 1.379 43 residues pruned to eliminate duplicates Z: 39 24.985 1.953 0.446 0.619 0.974 0.684 CB 1.317 39 residues pruned to eliminate duplicates Z: 45 30.947 1.956 0.643 0.534 0.977 0.705 CB 1.436 45 residues pruned to eliminate duplicates Z: 60 29.725 1.953 0.511 0.539 0.898 0.678 CB 1.404 60 residues pruned to eliminate duplicates Z: 37 31.339 2.015 0.576 0.684 1.000 0.833 CB 1.388 37 residues pruned to eliminate duplicates Z: 37 28.322 1.970 0.573 0.672 0.972 0.722 CB 1.336 37 residues pruned to eliminate duplicates Z: 39 29.413 1.982 0.594 0.645 0.974 0.789 CB 1.354 39 residues pruned to eliminate duplicates Z: 36 30.144 1.988 0.610 0.643 1.000 0.629 CB 1.393 36 residues pruned to eliminate duplicates Z: 59 37.347 1.991 0.739 0.577 0.948 0.586 CB 1.387 59 residues pruned to eliminate duplicates Z: 38 28.591 1.953 0.694 0.615 0.973 0.595 CB 1.309 38 residues pruned to eliminate duplicates Z: 37 28.454 1.981 0.671 0.632 0.972 0.667 CB 1.302 37 residues pruned to eliminate duplicates Z: 48 30.774 1.965 0.617 0.600 0.957 0.638 CB 1.342 48 residues pruned to eliminate duplicates Z: 46 33.901 1.998 0.708 0.600 0.978 0.733 CB 1.377 46 residues pruned to eliminate duplicates Z: 36 29.842 1.988 0.658 0.656 1.000 0.714 CB 1.324 36 residues pruned to eliminate duplicates Z: 40 27.730 1.943 0.590 0.628 0.949 0.718 CB 1.344 40 residues pruned to eliminate duplicates Z: 40 29.664 1.987 0.613 0.665 0.974 0.692 CB 1.305 40 residues pruned to eliminate duplicates Z: 35 28.871 1.983 0.703 0.644 0.971 0.647 CB 1.320 35 residues pruned to eliminate duplicates Z: 37 27.289 1.987 0.575 0.620 0.917 0.667 CB 1.415 37 residues pruned to eliminate duplicates Z: 47 34.901 2.015 0.672 0.576 0.978 0.717 CB 1.451 47 residues pruned to eliminate duplicates Z: 61 36.003 1.985 0.705 0.581 0.933 0.633 CB 1.361 61 residues pruned to eliminate duplicates Z: 69 39.029 2.020 0.650 0.578 0.912 0.662 CB 1.444 69 residues pruned to eliminate duplicates Z: 44 33.004 1.992 0.690 0.579 0.977 0.767 CB 1.419 44 residues pruned to eliminate duplicates Z: 32 29.403 1.973 0.710 0.647 0.968 0.645 CB 1.410 32 residues pruned to eliminate duplicates Z: 51 36.547 1.982 0.745 0.603 0.940 0.560 CB 1.442 51 residues pruned to eliminate duplicates Z: 71 40.232 1.976 0.671 0.583 0.900 0.657 CB 1.494 71 residues pruned to eliminate duplicates Z: 58 38.138 1.991 0.670 0.626 0.965 0.614 CB 1.399 58 residues pruned to eliminate duplicates Z: 58 36.571 1.999 0.643 0.604 0.912 0.719 CB 1.465 58 residues pruned to eliminate duplicates Z: 71 38.037 1.959 0.680 0.547 0.943 0.657 CB 1.399 71 residues pruned to eliminate duplicates Z: 28 23.563 1.977 0.562 0.536 0.889 0.630 N 1.595 28 residues pruned to eliminate duplicates Z: 29 23.811 1.995 0.647 0.529 0.893 0.571 CB 1.491 29 residues pruned to eliminate duplicates Z: 73 42.689 2.015 0.685 0.550 0.931 0.653 CB 1.516 73 residues pruned to eliminate duplicates Z: 25 27.479 2.095 0.650 0.600 0.917 0.583 CB 1.608 35 residues pruned to eliminate duplicates Z: 7 8.439 1.591 0.979 0.551 1.000 0.667 N 1.042 7 residues pruned to eliminate duplicates Z: 71 42.026 1.986 0.691 0.571 0.943 0.657 CB 1.480 71 residues pruned to eliminate duplicates Z: 21 16.865 1.912 0.718 0.475 0.800 0.600 CB 1.473 21 residues pruned to eliminate duplicates Z: 27 26.284 1.996 0.781 0.601 0.846 0.615 CB 1.556 27 residues pruned to eliminate duplicates Z: 42 26.641 1.936 0.672 0.583 0.927 0.610 CB 1.280 42 residues pruned to eliminate duplicates Z: 30 24.115 1.957 0.792 0.516 0.862 0.552 CB 1.458 30 residues pruned to eliminate duplicates Z: 57 41.923 2.016 0.801 0.627 0.946 0.536 CB 1.447 57 residues pruned to eliminate duplicates Z: 20 22.214 1.933 0.961 0.541 0.789 0.632 N 1.635 20 residues pruned to eliminate duplicates Z: 19 20.103 1.997 0.934 0.489 0.833 0.556 CB 1.489 19 residues pruned to eliminate duplicates Z: 28 27.645 2.001 0.656 0.567 0.926 0.704 CB 1.624 28 residues pruned to eliminate duplicates Z: 28 28.531 1.965 0.759 0.631 0.889 0.667 CB 1.580 28 residues pruned to eliminate duplicates Z: 12 11.854 1.903 0.685 0.476 0.818 0.545 N 1.395 12 residues pruned to eliminate duplicates Z: 68 34.017 1.930 0.634 0.561 0.866 0.522 CB 1.435 68 residues pruned to eliminate duplicates Z: 25 16.830 1.849 0.700 0.532 0.833 0.667 CB 1.270 25 residues pruned to eliminate duplicates Z: 80 46.172 2.015 0.728 0.581 0.937 0.646 CB 1.472 80 residues pruned to eliminate duplicates Z: 24 17.883 1.907 0.511 0.745 0.913 0.739 CB 1.138 24 residues pruned to eliminate duplicates Z: 29 18.700 1.925 0.516 0.594 0.964 0.714 CB 1.148 29 residues pruned to eliminate duplicates Z: 23 17.303 1.931 0.696 0.740 0.909 0.591 CB 0.999 23 residues pruned to eliminate duplicates Z: 23 17.361 1.907 0.561 0.668 1.000 0.727 CB 1.064 23 residues pruned to eliminate duplicates Z: 22 18.358 1.939 0.643 0.689 1.000 0.857 CB 1.058 22 residues pruned to eliminate duplicates Z: 20 14.733 1.910 0.408 0.583 1.000 0.684 CB 1.161 20 residues pruned to eliminate duplicates Z: 21 15.721 1.933 0.545 0.627 1.000 0.800 CB 1.045 21 residues pruned to eliminate duplicates Z: 21 13.432 1.896 0.392 0.570 0.950 0.800 CB 1.119 21 residues pruned to eliminate duplicates Z: 20 17.370 1.920 0.681 0.618 1.000 0.737 CB 1.104 20 residues pruned to eliminate duplicates Z: 12 10.491 1.881 0.441 0.578 0.909 0.727 CA 1.191 12 residues pruned to eliminate duplicates Z: 12 9.435 1.960 0.644 0.623 0.909 0.727 CB 0.865 12 residues pruned to eliminate duplicates Z: 11 17.855 1.976 0.985 0.795 1.000 0.700 CB 1.112 11 residues pruned to eliminate duplicates Z: 10 13.726 1.936 0.504 0.858 1.000 0.889 CB 1.157 10 residues pruned to eliminate duplicates Z: 10 14.696 2.008 0.706 0.761 0.889 0.667 CB 1.276 10 residues pruned to eliminate duplicates Z: 12 10.758 1.949 0.750 0.716 0.727 0.545 CB 1.075 12 residues pruned to eliminate duplicates Z: 10 16.937 2.013 0.984 0.811 0.889 0.778 CB 1.213 10 residues pruned to eliminate duplicates Z: 32 24.577 1.944 0.854 0.716 0.935 0.677 CB 1.077 32 residues pruned to eliminate duplicates Z: 10 17.128 1.987 1.070 0.909 1.000 0.778 CB 0.985 10 residues pruned to eliminate duplicates Z: 10 15.660 1.980 0.981 0.790 1.000 0.667 CB 1.032 10 residues pruned to eliminate duplicates Z: 12 15.757 1.965 1.094 0.802 1.000 0.545 CB 0.887 12 residues pruned to eliminate duplicates Z: 12 6.440 1.601 0.421 0.432 0.909 0.455 CB 1.007 11 residues pruned to eliminate duplicates Z: 6 4.750 1.337 0.511 0.418 1.000 0.400 N 1.145 6 residues pruned to eliminate duplicates Z: 10 6.463 1.686 0.489 0.411 0.778 0.333 CB 1.211 10 residues pruned to eliminate duplicates Z: 13 6.352 1.681 0.204 0.388 0.917 0.583 CB 1.113 11 residues pruned to eliminate duplicates Z: 6 4.792 1.434 0.512 0.543 1.000 0.400 CA 0.947 13 residues pruned to eliminate duplicates Z: 6 6.317 1.544 0.406 0.530 1.000 0.600 CA 1.263 6 residues pruned to eliminate duplicates Z: 16 9.611 1.832 0.424 0.362 0.867 0.533 CB 1.273 16 residues pruned to eliminate duplicates Z: 10 3.290 1.700 0.440 0.164 0.667 0.444 CB 1.013 10 residues pruned to eliminate duplicates Z: 18 8.759 1.694 0.540 0.350 0.824 0.588 CB 1.163 18 residues pruned to eliminate duplicates Z: 11 5.577 1.766 0.561 0.232 0.700 0.600 CB 1.249 11 residues pruned to eliminate duplicates Z: 7 5.904 1.814 0.568 0.480 0.667 0.500 CA 1.297 7 residues pruned to eliminate duplicates Z: 20 10.323 1.763 0.552 0.352 0.789 0.421 CB 1.287 20 residues pruned to eliminate duplicates Z: 19 10.991 1.727 0.495 0.397 0.833 0.389 CB 1.342 19 residues pruned to eliminate duplicates Z: 25 23.449 1.984 0.676 0.627 0.875 0.542 CA 1.460 25 residues pruned to eliminate duplicates Z: 25 25.159 1.949 0.683 0.665 0.958 0.583 CA 1.402 25 residues pruned to eliminate duplicates Z: 28 25.230 1.845 0.769 0.666 0.889 0.704 CB 1.436 28 residues pruned to eliminate duplicates Z: 27 27.292 1.908 0.724 0.634 1.000 0.615 CB 1.435 27 residues pruned to eliminate duplicates Z: 20 28.863 1.974 0.777 0.717 1.000 0.632 CA 1.551 20 residues pruned to eliminate duplicates Z: 16 16.851 1.965 0.782 0.598 0.800 0.467 CA 1.414 16 residues pruned to eliminate duplicates Z: 24 26.215 1.989 0.726 0.684 0.913 0.609 CA 1.474 24 residues pruned to eliminate duplicates Z: 16 18.112 1.911 0.795 0.599 0.867 0.533 CA 1.431 16 residues pruned to eliminate duplicates Z: 25 18.864 1.874 0.589 0.556 0.833 0.542 CA 1.470 25 residues pruned to eliminate duplicates Z: 20 15.590 1.867 0.634 0.545 0.842 0.421 CB 1.332 20 residues pruned to eliminate duplicates Z: 23 29.881 2.055 0.740 0.694 0.955 0.636 CA 1.562 23 residues pruned to eliminate duplicates Z: 25 26.586 1.983 0.592 0.681 0.958 0.667 CB 1.519 25 residues pruned to eliminate duplicates Z: 24 24.234 2.015 0.700 0.655 0.913 0.609 CA 1.398 24 residues pruned to eliminate duplicates Z: 34 19.621 1.910 0.606 0.473 0.848 0.515 CB 1.349 34 residues pruned to eliminate duplicates Z: 25 26.653 1.980 0.661 0.681 0.958 0.625 CA 1.461 25 residues pruned to eliminate duplicates Z: 79 32.848 2.004 0.560 0.438 0.897 0.551 CB 1.413 79 residues pruned to eliminate duplicates Z: 25 27.775 1.974 0.883 0.680 0.917 0.583 CA 1.410 25 residues pruned to eliminate duplicates Z: 82 30.852 1.971 0.595 0.433 0.852 0.469 CB 1.372 112 residues pruned to eliminate duplicates Z: 12 12.038 1.825 0.388 0.625 0.909 0.545 CA 1.401 12 residues pruned to eliminate duplicates Z: 25 26.507 1.948 0.742 0.725 0.917 0.667 CA 1.419 25 residues pruned to eliminate duplicates Z: 25 25.356 1.992 0.703 0.727 0.875 0.708 CA 1.422 25 residues pruned to eliminate duplicates Z: 34 24.658 1.915 0.532 0.600 0.909 0.424 CA 1.463 34 residues pruned to eliminate duplicates Z: 36 24.263 1.930 0.524 0.613 0.857 0.600 CA 1.462 36 residues pruned to eliminate duplicates Z: 58 26.869 1.981 0.529 0.485 0.860 0.491 CB 1.387 58 residues pruned to eliminate duplicates Z: 66 32.682 2.015 0.552 0.465 0.892 0.538 CB 1.505 73 residues pruned to eliminate duplicates Z: 41 25.813 1.916 0.666 0.507 0.875 0.375 CB 1.452 41 residues pruned to eliminate duplicates Z: 37 28.445 1.927 0.546 0.607 0.944 0.556 CB 1.522 37 residues pruned to eliminate duplicates Z: 35 18.463 1.832 0.504 0.468 0.824 0.412 CB 1.442 35 residues pruned to eliminate duplicates Z: 34 27.353 1.953 0.678 0.615 0.879 0.515 CA 1.483 34 residues pruned to eliminate duplicates Z: 37 24.471 1.884 0.552 0.579 0.917 0.583 CA 1.411 37 residues pruned to eliminate duplicates Z: 78 31.952 2.005 0.552 0.438 0.857 0.519 CB 1.455 78 residues pruned to eliminate duplicates Z: 53 23.233 2.051 0.425 0.326 0.923 0.558 CB 1.446 53 residues pruned to eliminate duplicates Z: 18 10.381 1.852 0.390 0.401 0.824 0.471 CB 1.318 18 residues pruned to eliminate duplicates Z: 42 25.103 1.939 0.594 0.528 0.878 0.585 CB 1.406 42 residues pruned to eliminate duplicates Z: 72 33.987 2.057 0.550 0.394 0.930 0.507 CB 1.523 72 residues pruned to eliminate duplicates Z: 41 23.087 2.138 0.547 0.321 0.900 0.600 CB 1.493 41 residues pruned to eliminate duplicates Z: 72 31.890 2.018 0.529 0.425 0.873 0.563 CB 1.518 72 residues pruned to eliminate duplicates Z: 56 22.421 1.980 0.534 0.328 0.873 0.473 CB 1.376 56 residues pruned to eliminate duplicates Z: 64 29.615 2.041 0.580 0.404 0.937 0.524 CB 1.366 69 residues pruned to eliminate duplicates Z: 11 6.456 1.540 0.702 0.355 0.900 0.400 CB 1.012 11 residues pruned to eliminate duplicates Z: 16 16.104 2.042 0.683 0.388 1.000 0.533 CB 1.363 16 residues pruned to eliminate duplicates Z: 74 30.577 2.014 0.397 0.407 0.945 0.493 CB 1.483 74 residues pruned to eliminate duplicates Z: 36 21.798 2.139 0.425 0.333 0.943 0.629 CB 1.539 36 residues pruned to eliminate duplicates Z: 78 32.951 2.032 0.566 0.440 0.896 0.545 CB 1.400 78 residues pruned to eliminate duplicates Z: 27 12.591 1.961 0.436 0.266 0.962 0.462 CB 1.191 27 residues pruned to eliminate duplicates Z: 80 30.996 1.985 0.616 0.448 0.861 0.544 CB 1.332 80 residues pruned to eliminate duplicates Z: 33 24.279 2.121 0.689 0.335 0.906 0.594 CB 1.583 33 residues pruned to eliminate duplicates Z: 67 22.678 2.002 0.351 0.337 0.864 0.409 CB 1.427 67 residues pruned to eliminate duplicates Z: 92 38.221 2.007 0.570 0.431 0.890 0.495 CB 1.534 97 residues pruned to eliminate duplicates Z: 7 8.093 2.205 0.899 0.269 0.833 0.667 CA 1.232 7 residues pruned to eliminate duplicates Z: 80 35.144 2.012 0.546 0.442 0.924 0.570 CB 1.460 80 residues pruned to eliminate duplicates Z: 27 19.041 2.239 0.396 0.324 0.885 0.577 CB 1.639 27 residues pruned to eliminate duplicates Z: 92 42.458 2.042 0.664 0.467 0.923 0.549 CB 1.467 92 residues pruned to eliminate duplicates Z: 35 24.734 2.195 0.542 0.346 0.941 0.647 CB 1.575 35 residues pruned to eliminate duplicates Z: 28 21.587 2.119 0.700 0.315 0.963 0.593 CB 1.468 28 residues pruned to eliminate duplicates Z: 76 33.868 2.038 0.510 0.443 0.907 0.600 CB 1.486 76 residues pruned to eliminate duplicates Z: 78 33.866 2.029 0.575 0.408 0.922 0.532 CB 1.443 78 residues pruned to eliminate duplicates Z: 37 25.515 2.133 0.582 0.363 0.944 0.611 CB 1.546 37 residues pruned to eliminate duplicates Z: 36 25.062 2.141 0.518 0.375 0.943 0.571 CB 1.580 36 residues pruned to eliminate duplicates Z: 40 22.877 2.065 0.539 0.315 0.923 0.538 CB 1.532 40 residues pruned to eliminate duplicates Z: 37 22.432 2.167 0.467 0.367 0.917 0.667 CB 1.480 37 residues pruned to eliminate duplicates Z: 43 23.566 2.126 0.516 0.354 0.929 0.667 CB 1.423 43 residues pruned to eliminate duplicates Z: 41 22.180 2.155 0.451 0.329 0.925 0.575 CB 1.462 41 residues pruned to eliminate duplicates Z: 37 21.401 2.074 0.604 0.373 0.861 0.556 CA 1.427 37 residues pruned to eliminate duplicates Z: 35 18.861 2.114 0.498 0.322 0.853 0.559 CB 1.456 35 residues pruned to eliminate duplicates Z: 78 35.712 2.053 0.605 0.443 0.909 0.468 CB 1.441 78 residues pruned to eliminate duplicates Z: 10 11.514 2.163 0.406 0.509 0.889 0.667 CA 1.406 10 residues pruned to eliminate duplicates Z: 37 17.658 2.048 0.495 0.361 0.861 0.500 CB 1.297 37 residues pruned to eliminate duplicates Z: 60 23.728 2.020 0.566 0.290 0.881 0.508 CB 1.402 60 residues pruned to eliminate duplicates Z: 38 17.813 1.872 0.598 0.367 0.919 0.514 CB 1.229 38 residues pruned to eliminate duplicates Z: 41 20.716 2.103 0.592 0.332 0.900 0.475 CB 1.306 41 residues pruned to eliminate duplicates Z: 72 22.239 1.961 0.552 0.346 0.803 0.479 CB 1.277 72 residues pruned to eliminate duplicates Z: 79 34.352 2.047 0.557 0.431 0.923 0.500 CB 1.420 79 residues pruned to eliminate duplicates Z: 56 24.895 2.051 0.604 0.349 0.873 0.527 CB 1.378 56 residues pruned to eliminate duplicates Z: 38 21.854 1.993 0.604 0.481 0.865 0.568 CB 1.326 39 residues pruned to eliminate duplicates Z: 6 4.544 1.704 0.668 0.401 1.000 0.800 CB 0.793 6 residues pruned to eliminate duplicates Z: 23 9.121 1.895 0.301 0.415 0.727 0.545 CB 1.186 29 residues pruned to eliminate duplicates Z: 15 10.358 1.869 0.436 0.469 0.857 0.714 CB 1.242 15 residues pruned to eliminate duplicates Z: 20 15.116 1.842 0.454 0.515 0.895 0.421 CB 1.427 20 residues pruned to eliminate duplicates Z: 26 13.244 1.742 0.561 0.413 0.800 0.560 CA 1.334 26 residues pruned to eliminate duplicates Z: 27 17.285 1.857 0.506 0.545 0.923 0.654 CB 1.257 27 residues pruned to eliminate duplicates Z: 29 14.967 1.878 0.498 0.397 0.929 0.643 CB 1.207 29 residues pruned to eliminate duplicates Z: 29 17.364 1.771 0.601 0.502 0.929 0.607 CB 1.244 29 residues pruned to eliminate duplicates Z: 22 19.738 1.905 0.665 0.482 1.000 0.524 CA 1.383 22 residues pruned to eliminate duplicates Z: 11 12.157 1.840 0.487 0.642 1.000 0.700 CB 1.231 11 residues pruned to eliminate duplicates Z: 27 15.421 1.914 0.576 0.398 0.885 0.538 CB 1.262 22 residues pruned to eliminate duplicates Z: 6 3.310 1.432 0.498 0.286 0.800 0.200 CA 1.097 6 residues pruned to eliminate duplicates Z: 11 6.701 1.888 0.500 0.261 0.800 0.400 CB 1.229 11 residues pruned to eliminate duplicates Z: 29 16.390 1.865 0.581 0.441 0.893 0.536 CB 1.250 29 residues pruned to eliminate duplicates Z: 23 13.785 1.860 0.582 0.430 0.864 0.591 CB 1.243 23 residues pruned to eliminate duplicates Z: 70 24.660 1.997 0.548 0.334 0.884 0.522 CB 1.303 70 residues pruned to eliminate duplicates Z: 55 17.880 1.816 0.457 0.357 0.852 0.500 CB 1.260 28 residues pruned to eliminate duplicates Z: 6 2.786 1.603 0.734 0.275 0.800 0.400 CB 0.722 6 residues pruned to eliminate duplicates Z: 17 9.001 1.861 0.211 0.331 0.938 0.625 CB 1.282 17 residues pruned to eliminate duplicates Z: 15 10.680 1.926 0.470 0.318 0.929 0.429 CB 1.328 15 residues pruned to eliminate duplicates Z: 17 8.406 1.837 0.266 0.308 0.875 0.375 CB 1.278 17 residues pruned to eliminate duplicates Z: 17 8.348 1.858 0.222 0.344 0.812 0.562 CB 1.342 17 residues pruned to eliminate duplicates Z: 17 7.711 1.842 0.260 0.319 0.875 0.375 CB 1.159 17 residues pruned to eliminate duplicates Z: 15 9.983 1.945 0.465 0.320 0.857 0.500 CB 1.332 15 residues pruned to eliminate duplicates Z: 17 9.623 1.837 0.417 0.309 0.875 0.375 CB 1.305 17 residues pruned to eliminate duplicates Z: 18 9.669 1.850 0.503 0.363 0.824 0.647 CB 1.187 18 residues pruned to eliminate duplicates Z: 19 11.338 1.778 0.524 0.330 0.889 0.444 CB 1.337 19 residues pruned to eliminate duplicates Z: 17 8.484 1.897 0.589 0.287 0.812 0.438 CB 1.100 17 residues pruned to eliminate duplicates Z: 30 14.337 1.925 0.452 0.305 0.828 0.448 CB 1.429 27 residues pruned to eliminate duplicates Z: 7 3.416 1.100 0.687 0.491 1.000 0.833 CA 0.758 7 residues pruned to eliminate duplicates Z: 36 14.273 1.859 0.479 0.320 0.771 0.371 CB 1.388 31 residues pruned to eliminate duplicates Z: 6 7.464 2.007 0.459 0.314 1.000 0.600 CA 1.399 6 residues pruned to eliminate duplicates Z: 31 12.922 1.909 0.360 0.324 0.833 0.367 CB 1.323 31 residues pruned to eliminate duplicates Z: 33 16.214 1.868 0.467 0.395 0.875 0.438 CB 1.336 20 residues pruned to eliminate duplicates Z: 7 4.505 1.422 0.407 0.439 1.000 0.833 CA 0.979 7 residues pruned to eliminate duplicates Z: 21 17.683 1.944 0.443 0.437 0.950 0.650 CA 1.583 22 residues pruned to eliminate duplicates Z: 6 4.614 1.625 0.636 0.361 0.800 0.400 N 1.126 4 residues pruned to eliminate duplicates Z: 6 2.232 1.345 0.471 0.289 0.600 0.400 N 1.066 6 residues pruned to eliminate duplicates Z: 13 15.351 1.875 0.737 0.612 0.917 0.750 CB 1.335 13 residues pruned to eliminate duplicates Z: 14 13.025 1.863 0.475 0.532 0.923 0.538 N 1.380 14 residues pruned to eliminate duplicates Z: 13 10.360 1.902 0.182 0.446 1.000 0.667 CB 1.407 13 residues pruned to eliminate duplicates Z: 12 10.622 1.902 0.201 0.589 0.909 0.636 CB 1.416 12 residues pruned to eliminate duplicates Z: 20 15.379 1.753 0.677 0.579 0.947 0.737 CB 1.175 34 residues pruned to eliminate duplicates 6 1.729 1.672 0.137 0.462 0.800 0.600 CB 0.529 ? 6 1.863 1.414 0.349 0.296 0.600 0.200 CB 0.915 ? Z: 19 21.877 1.922 0.628 0.837 0.944 0.611 CA 1.306 19 residues pruned to eliminate duplicates Z: 24 23.121 1.960 0.584 0.736 0.913 0.609 CA 1.376 24 residues pruned to eliminate duplicates Z: 23 19.451 1.938 0.376 0.684 0.909 0.773 CA 1.445 23 residues pruned to eliminate duplicates Z: 25 19.009 1.880 0.437 0.693 0.958 0.792 CA 1.256 25 residues pruned to eliminate duplicates Z: 24 20.719 1.927 0.424 0.753 0.957 0.565 CA 1.314 24 residues pruned to eliminate duplicates Z: 27 18.782 1.916 0.377 0.702 0.923 0.731 CA 1.258 27 residues pruned to eliminate duplicates Z: 27 20.469 1.837 0.540 0.676 0.885 0.615 CB 1.364 27 residues pruned to eliminate duplicates Z: 26 21.079 1.911 0.575 0.690 0.880 0.640 CB 1.337 26 residues pruned to eliminate duplicates Z: 26 22.324 1.901 0.451 0.740 0.920 0.680 CA 1.419 26 residues pruned to eliminate duplicates Z: 23 19.318 1.956 0.380 0.773 0.909 0.727 CA 1.318 23 residues pruned to eliminate duplicates Z: 28 19.557 1.873 0.471 0.691 0.852 0.556 CB 1.347 28 residues pruned to eliminate duplicates Z: 24 22.344 1.972 0.462 0.746 0.913 0.652 CB 1.420 24 residues pruned to eliminate duplicates Z: 26 20.888 1.900 0.431 0.695 0.960 0.520 CA 1.340 26 residues pruned to eliminate duplicates Z: 26 23.182 1.926 0.536 0.744 0.960 0.640 CA 1.312 26 residues pruned to eliminate duplicates Z: 21 19.871 1.958 0.553 0.687 0.850 0.750 CA 1.447 21 residues pruned to eliminate duplicates Z: 27 26.567 1.859 0.585 0.809 0.962 0.731 CA 1.405 28 residues pruned to eliminate duplicates Z: 22 29.442 1.952 0.659 0.817 1.000 0.762 CB 1.506 22 residues pruned to eliminate duplicates Z: 23 23.268 1.993 0.473 0.821 0.909 0.773 CA 1.408 23 residues pruned to eliminate duplicates Z: 10 8.882 1.477 0.497 0.876 1.000 0.778 CA 0.973 10 residues pruned to eliminate duplicates Z: 24 23.831 1.932 0.501 0.738 1.000 0.652 CA 1.385 24 residues pruned to eliminate duplicates Z: 24 25.599 1.934 0.665 0.730 1.000 0.783 CA 1.348 24 residues pruned to eliminate duplicates Z: 25 25.510 1.911 0.603 0.820 0.917 0.667 CA 1.405 25 residues pruned to eliminate duplicates Z: 22 21.778 1.923 0.519 0.752 0.905 0.810 CA 1.436 22 residues pruned to eliminate duplicates Z: 27 25.306 1.888 0.494 0.786 0.923 0.654 CB 1.481 27 residues pruned to eliminate duplicates Z: 9 2.590 1.173 0.515 0.213 0.875 0.375 CB 0.827 3 residues pruned to eliminate duplicates 597 residues left after pruning, divided into chains as follows: A: 7 B: 12 C: 9 D: 12 E: 7 F: 10 G: 8 H: 16 I: 15 J: 16 K: 28 L: 32 M: 19 N: 16 O: 93 P: 93 Q: 18 R: 134 S: 20 T: 32 CC for partial structure against native data = 32.15 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.513, Connect. = 0.713 for dens.mod. cycle 1 = 0.300, Contrast = 0.585, Connect. = 0.736 for dens.mod. cycle 2 = 0.301, Contrast = 0.677, Connect. = 0.765 for dens.mod. cycle 3 = 0.301, Contrast = 0.683, Connect. = 0.767 for dens.mod. cycle 4 = 0.301, Contrast = 0.690, Connect. = 0.769 for dens.mod. cycle 5 = 0.301, Contrast = 0.693, Connect. = 0.770 for dens.mod. cycle 6 = 0.301, Contrast = 0.695, Connect. = 0.772 for dens.mod. cycle 7 = 0.301, Contrast = 0.696, Connect. = 0.773 for dens.mod. cycle 8 = 0.301, Contrast = 0.696, Connect. = 0.774 for dens.mod. cycle 9 = 0.301, Contrast = 0.696, Connect. = 0.775 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 5.09 - 4.02 - 3.51 - 3.18 - 2.95 - 2.77 - 2.63 - 2.51 - 2.42 - 2.32 0.714 0.775 0.766 0.711 0.651 0.630 0.601 0.566 0.578 0.546 0.827 0.888 0.889 0.841 0.779 0.750 0.713 0.681 0.705 0.665 N 4490 4524 4445 4567 4474 4595 4503 4673 4142 4381 Estimated mean FOM = 0.654 Pseudo-free CC = 67.58 % Best trace (cycle 2 with CC 35.74%) was saved as ./1vl4-2.3-parrot-noncs/1vl4-2.3-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.5 - Setup, data input and phasing 5.7 - FFTs and peak-searches 20.6 - Sphere of influence 0.5 - Rest of density modification 0.0 - Alpha-helix search 919.0 - Tripeptide search 9297.1 - Chain tracing 0.0 - NCS analysis 52.9 - B-value refinement for trace 0.3 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 03:06:03 Total time: 10296.61 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 172.57 Used memory is bytes: 24020512