null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 00:09:03 on 15 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2i51-1.7-parrot-noncs/2i51-1.7-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2i51-1.7-parrot-noncs/2i51-1.7-parrot-noncs.ins Phases from ./2i51-1.7-parrot-noncs/2i51-1.7-parrot-noncs.phi Native data from ./2i51-1.7-parrot-noncs/2i51-1.7-parrot-noncs.hkl Listing output to ./2i51-1.7-parrot-noncs/2i51-1.7-parrot-noncs.lst Phases output to ./2i51-1.7-parrot-noncs/2i51-1.7-parrot-noncs.phs Poly-Ala trace output to ./2i51-1.7-parrot-noncs/2i51-1.7-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 49464 Reflections read from file ./2i51-1.7-parrot-noncs/2i51-1.7-parrot-noncs.phi 49464 Reflections read from file ./2i51-1.7-parrot-noncs/2i51-1.7-parrot-noncs.hkl 49464 Unique data, highest resolution = 1.700 Angstroms Anisotropic scaling: intensities multiplied by -0.000082h^2 +0.000162k^2 -0.000017l^2 +0.000000kl +0.000000hl +0.000000hk 3925 Reflections with d > 1.900 and 0 in range 1.900 > d > 1.700 added Density sharpening factor set to 1.20 Fourier grid = 128 x 128 x 51 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.744 = 0.300, Contrast = 0.494, Connect. = 0.730 for dens.mod. cycle 1 = 0.300, Contrast = 0.579, Connect. = 0.746 for dens.mod. cycle 2 = 0.300, Contrast = 0.659, Connect. = 0.765 for dens.mod. cycle 3 = 0.300, Contrast = 0.675, Connect. = 0.769 for dens.mod. cycle 4 = 0.300, Contrast = 0.683, Connect. = 0.772 for dens.mod. cycle 5 = 0.300, Contrast = 0.688, Connect. = 0.774 for dens.mod. cycle 6 = 0.300, Contrast = 0.690, 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. = 0.776 for dens.mod. cycle 9 = 0.300, Contrast = 0.692, Connect. = 0.776 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2678 peaks > 0.5 sigma used to seed fragment search Space for about 535 unique residues taking solvent into account 607 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 19 44.211 2.087 1.258 0.845 1.000 0.778 CB 1.645 B: 19 39.845 2.121 1.056 0.801 1.000 0.556 CA 1.656 19 residues pruned to eliminate duplicates C: 15 34.417 2.311 1.037 0.801 0.929 0.643 CB 1.617 D: 17 52.598 2.329 1.323 0.845 1.000 0.812 CA 1.807 19 residues pruned to eliminate duplicates E: 15 30.625 2.188 0.777 0.885 1.000 0.786 CB 1.520 F: 18 37.767 2.185 0.867 0.847 0.941 0.824 CA 1.771 18 residues pruned to eliminate duplicates G: 19 23.827 2.240 0.872 0.473 0.944 0.667 CB 1.457 H: 17 36.626 2.281 1.242 0.766 0.812 0.625 CB 1.741 17 residues pruned to eliminate duplicates I: 15 35.387 2.222 0.956 0.881 1.000 0.714 CB 1.575 15 residues pruned to eliminate duplicates J: 88 65.806 2.215 1.007 0.554 0.943 0.667 CB 1.598 17 residues pruned to eliminate duplicates K: 56 36.973 2.133 0.684 0.558 0.891 0.564 CB 1.472 L: 80 69.294 2.206 1.209 0.582 0.924 0.747 CB 1.600 76 residues pruned to eliminate duplicates M: 16 37.310 2.174 1.220 0.816 0.933 0.533 CA 1.625 16 residues pruned to eliminate duplicates N: 26 20.928 2.033 0.527 0.498 0.920 0.720 CB 1.468 O: 18 43.259 2.248 1.137 0.809 1.000 0.588 CB 1.668 17 residues pruned to eliminate duplicates P: 16 11.898 2.018 0.756 0.348 0.867 0.733 CB 1.180 16 residues pruned to eliminate duplicates Q: 16 30.080 2.081 0.878 0.887 1.000 0.800 CB 1.432 16 residues pruned to eliminate duplicates R: 93 72.251 2.244 1.102 0.596 0.924 0.707 CB 1.576 33 residues pruned to eliminate duplicates S: 14 24.812 2.275 1.187 0.525 0.846 0.692 CB 1.594 14 residues pruned to eliminate duplicates T: 97 63.961 2.190 0.945 0.565 0.938 0.708 CB 1.535 102 residues pruned to eliminate duplicates U: 15 30.245 2.295 0.760 0.848 0.929 0.714 CB 1.599 15 residues pruned to eliminate duplicates V: 19 19.248 2.005 0.838 0.487 0.778 0.667 CA 1.603 19 residues pruned to eliminate duplicates W: 19 33.956 2.122 0.914 0.813 0.944 0.722 CA 1.589 19 residues pruned to eliminate duplicates X: 20 15.701 1.861 0.582 0.438 0.895 0.421 CB 1.458 20 residues pruned to eliminate duplicates Y: 19 29.231 2.050 0.647 0.811 1.000 0.667 CA 1.557 19 residues pruned to eliminate duplicates Z: 45 44.078 2.204 1.002 0.594 0.909 0.636 CB 1.515 45 residues pruned to eliminate duplicates Z: 16 31.869 2.128 0.933 0.819 1.000 0.667 CB 1.516 16 residues pruned to eliminate duplicates Z: 12 21.294 1.979 0.646 0.859 1.000 0.455 CA 1.451 14 residues pruned to eliminate duplicates Z: 13 14.051 1.947 0.413 0.674 0.833 0.667 CA 1.507 13 residues pruned to eliminate duplicates Z: 17 44.719 2.345 1.017 0.816 1.000 0.688 CA 1.796 17 residues pruned to eliminate duplicates Z: 15 28.811 2.168 0.521 0.857 1.000 0.714 CA 1.722 15 residues pruned to eliminate duplicates Z: 11 20.876 2.073 0.560 0.899 1.000 0.900 CB 1.459 11 residues pruned to eliminate duplicates Z: 12 31.445 2.244 0.801 0.881 1.000 0.727 CB 1.699 12 residues pruned to eliminate duplicates Z: 15 31.212 2.235 0.724 0.891 0.929 0.857 CB 1.675 15 residues pruned to eliminate duplicates Z: 25 28.517 2.225 0.769 0.483 0.958 0.708 CB 1.570 19 residues pruned to eliminate duplicates Z: 25 23.305 2.044 0.576 0.548 0.917 0.500 CB 1.536 26 residues pruned to eliminate duplicates Z: 17 40.151 2.349 1.002 0.807 0.938 0.875 CA 1.742 17 residues pruned to eliminate duplicates Z: 15 26.239 2.175 0.638 0.805 0.929 0.786 CA 1.624 15 residues pruned to eliminate duplicates Z: 91 51.782 2.089 0.826 0.555 0.911 0.611 CB 1.488 63 residues pruned to eliminate duplicates Z: 32 46.346 2.195 1.086 0.678 0.935 0.742 CB 1.650 32 residues pruned to eliminate duplicates Z: 29 33.515 2.179 0.747 0.514 0.964 0.679 CB 1.702 25 residues pruned to eliminate duplicates Z: 17 23.930 2.173 0.325 0.808 1.000 0.750 CA 1.589 17 residues pruned to eliminate duplicates Z: 15 33.539 2.324 0.882 0.845 0.929 0.857 CB 1.640 15 residues pruned to eliminate duplicates Z: 20 15.796 1.915 0.619 0.419 0.842 0.474 CA 1.510 17 residues pruned to eliminate duplicates Z: 16 36.785 2.149 1.041 0.851 0.933 0.733 CA 1.718 16 residues pruned to eliminate duplicates Z: 34 26.650 2.129 0.572 0.484 0.970 0.515 CB 1.453 25 residues pruned to eliminate duplicates Z: 18 28.568 2.162 0.812 0.754 0.882 0.765 CB 1.599 18 residues pruned to eliminate duplicates Z: 13 33.117 2.317 0.702 0.874 1.000 0.917 CB 1.764 13 residues pruned to eliminate duplicates Z: 14 39.164 2.273 1.109 0.884 1.000 0.846 CB 1.637 14 residues pruned to eliminate duplicates Z: 52 40.511 2.097 0.870 0.503 0.922 0.667 CB 1.565 52 residues pruned to eliminate duplicates Z: 25 29.691 2.182 1.115 0.502 0.833 0.583 CB 1.573 25 residues pruned to eliminate duplicates Z: 16 32.282 2.285 1.136 0.789 0.800 0.600 CB 1.657 16 residues pruned to eliminate duplicates Z: 12 17.673 1.990 0.483 0.861 1.000 0.818 CB 1.327 12 residues pruned to eliminate duplicates Z: 16 35.076 2.229 0.902 0.818 1.000 0.533 CB 1.621 16 residues pruned to eliminate duplicates Z: 16 37.049 2.296 1.142 0.802 0.933 0.667 CB 1.600 16 residues pruned to eliminate duplicates Z: 12 19.796 2.023 0.551 0.881 1.000 0.818 CB 1.377 12 residues pruned to eliminate duplicates Z: 42 32.746 2.141 0.755 0.487 0.878 0.634 CB 1.570 42 residues pruned to eliminate duplicates Z: 17 27.520 2.220 0.602 0.796 0.875 0.625 CA 1.707 17 residues pruned to eliminate duplicates Z: 27 20.987 1.984 0.684 0.516 0.962 0.538 CB 1.262 27 residues pruned to eliminate duplicates Z: 30 25.948 2.123 0.618 0.539 0.931 0.517 CB 1.449 31 residues pruned to eliminate duplicates Z: 53 45.546 2.120 0.863 0.607 0.904 0.538 CB 1.598 62 residues pruned to eliminate duplicates Z: 15 37.532 2.224 0.960 0.904 1.000 0.857 CA 1.639 15 residues pruned to eliminate duplicates Z: 34 30.459 2.185 0.748 0.496 0.970 0.485 CB 1.439 33 residues pruned to eliminate duplicates Z: 38 38.023 2.142 1.000 0.504 0.919 0.676 CB 1.581 38 residues pruned to eliminate duplicates Z: 19 34.145 2.149 0.984 0.762 0.889 0.611 CA 1.683 19 residues pruned to eliminate duplicates Z: 95 67.926 2.228 1.009 0.588 0.926 0.649 CB 1.555 95 residues pruned to eliminate duplicates Z: 41 41.955 2.119 0.988 0.552 0.950 0.700 CB 1.576 41 residues pruned to eliminate duplicates Z: 33 43.448 2.185 1.283 0.559 0.906 0.719 CB 1.604 33 residues pruned to eliminate duplicates Z: 17 42.486 2.351 1.116 0.791 0.938 0.562 CA 1.765 17 residues pruned to eliminate duplicates Z: 55 45.615 2.173 0.804 0.615 0.944 0.667 CB 1.503 55 residues pruned to eliminate duplicates Z: 130 82.907 2.231 1.017 0.599 0.930 0.698 CB 1.587 131 residues pruned to eliminate duplicates Z: 16 24.652 2.162 0.539 0.730 0.933 0.533 CB 1.667 16 residues pruned to eliminate duplicates Z: 48 50.171 2.219 1.141 0.579 0.915 0.723 CB 1.560 48 residues pruned to eliminate duplicates Z: 35 22.213 2.071 0.682 0.438 0.882 0.588 CB 1.322 34 residues pruned to eliminate duplicates Z: 33 51.422 2.278 1.075 0.682 0.969 0.688 CB 1.679 33 residues pruned to eliminate duplicates Z: 20 17.338 2.072 0.706 0.389 0.842 0.421 CB 1.504 20 residues pruned to eliminate duplicates Z: 13 20.907 2.136 0.452 0.873 1.000 0.833 CB 1.417 13 residues pruned to eliminate duplicates Z: 26 18.563 2.176 0.499 0.452 0.880 0.680 CB 1.359 26 residues pruned to eliminate duplicates Z: 11 21.987 2.007 1.099 0.744 0.900 0.700 CA 1.474 Z: 45 52.364 2.210 1.004 0.647 0.977 0.750 CB 1.590 45 residues pruned to eliminate duplicates Z: 12 17.685 1.990 0.428 0.869 1.000 0.818 CB 1.370 12 residues pruned to eliminate duplicates Z: 32 40.596 2.187 1.015 0.674 0.903 0.645 CB 1.560 32 residues pruned to eliminate duplicates Z: 81 59.319 2.191 0.858 0.596 0.963 0.637 CB 1.544 81 residues pruned to eliminate duplicates Z: 44 42.402 2.120 1.042 0.562 0.930 0.721 CB 1.512 44 residues pruned to eliminate duplicates Z: 15 30.785 2.174 0.910 0.873 0.929 0.643 CB 1.555 15 residues pruned to eliminate duplicates Z: 18 33.638 2.190 0.804 0.745 1.000 0.706 CA 1.658 18 residues pruned to eliminate duplicates Z: 12 19.555 2.126 1.130 0.464 0.909 0.727 CB 1.485 12 residues pruned to eliminate duplicates Z: 11 16.992 2.028 0.446 0.886 1.000 0.600 CA 1.322 11 residues pruned to eliminate duplicates Z: 6 5.461 1.490 1.103 0.683 0.800 0.600 CA 0.824 6 residues pruned to eliminate duplicates Z: 71 51.571 2.211 0.923 0.537 0.914 0.657 CB 1.529 71 residues pruned to eliminate duplicates Z: 24 23.976 1.874 0.834 0.591 0.957 0.565 CB 1.395 11 residues pruned to eliminate duplicates Z: 42 39.715 2.115 1.096 0.507 0.927 0.683 CB 1.499 42 residues pruned to eliminate duplicates Z: 7 13.589 2.004 0.942 0.513 0.833 0.833 CB 1.689 7 residues pruned to eliminate duplicates Z: 20 16.160 1.841 0.694 0.563 0.842 0.684 CB 1.328 20 residues pruned to eliminate duplicates Z: 16 40.956 2.318 1.044 0.842 0.933 0.800 CA 1.782 16 residues pruned to eliminate duplicates Z: 25 25.051 2.142 0.788 0.442 0.917 0.667 CB 1.545 25 residues pruned to eliminate duplicates Z: 52 42.091 2.154 0.901 0.554 0.882 0.725 CB 1.548 52 residues pruned to eliminate duplicates Z: 14 31.881 2.238 0.800 0.886 1.000 0.846 CB 1.583 14 residues pruned to eliminate duplicates Z: 125 70.567 2.193 0.919 0.613 0.895 0.702 CB 1.511 125 residues pruned to eliminate duplicates Z: 33 52.101 2.263 1.088 0.635 1.000 0.656 CB 1.717 33 residues pruned to eliminate duplicates Z: 12 14.322 1.864 0.379 0.817 1.000 0.727 CA 1.276 12 residues pruned to eliminate duplicates Z: 14 27.581 2.201 0.630 0.873 1.000 0.923 CB 1.553 14 residues pruned to eliminate duplicates Z: 6 4.146 1.466 0.579 0.505 1.000 0.600 N 0.797 6 residues pruned to eliminate duplicates Z: 40 39.303 2.123 1.073 0.495 0.949 0.667 CB 1.515 40 residues pruned to eliminate duplicates Z: 96 70.738 2.266 0.999 0.586 0.947 0.737 CB 1.557 96 residues pruned to eliminate duplicates Z: 11 13.571 2.085 0.448 0.816 0.800 0.600 CA 1.350 11 residues pruned to eliminate duplicates Z: 16 32.401 2.213 1.023 0.810 0.933 0.733 CA 1.528 16 residues pruned to eliminate duplicates Z: 27 30.467 2.130 0.956 0.500 0.885 0.654 CB 1.621 27 residues pruned to eliminate duplicates Z: 9 18.591 2.151 0.589 0.886 1.000 1.000 CB 1.387 9 residues pruned to eliminate duplicates Z: 11 17.875 2.186 0.747 0.593 0.900 0.800 CB 1.505 13 residues pruned to eliminate duplicates Z: 11 28.966 1.999 1.238 0.787 1.000 0.900 CA 1.591 12 residues pruned to eliminate duplicates Z: 82 51.420 2.174 0.846 0.562 0.914 0.642 CB 1.467 82 residues pruned to eliminate duplicates Z: 12 14.920 1.867 0.689 0.544 1.000 0.636 CB 1.366 12 residues pruned to eliminate duplicates Z: 41 39.898 2.119 0.917 0.526 0.950 0.575 CB 1.594 41 residues pruned to eliminate duplicates Z: 23 20.017 1.865 0.892 0.571 0.864 0.636 CA 1.308 23 residues pruned to eliminate duplicates Z: 11 26.726 2.032 1.327 0.769 0.900 0.800 C 1.565 12 residues pruned to eliminate duplicates Z: 22 23.770 1.924 0.888 0.677 0.857 0.667 CA 1.415 22 residues pruned to eliminate duplicates Z: 17 20.816 2.167 0.781 0.460 0.938 0.562 CB 1.498 17 residues pruned to eliminate duplicates Z: 48 33.738 2.134 0.743 0.598 0.872 0.511 CB 1.382 48 residues pruned to eliminate duplicates Z: 128 78.819 2.214 1.009 0.598 0.929 0.685 CB 1.541 128 residues pruned to eliminate duplicates Z: 46 36.281 2.106 1.066 0.509 0.867 0.644 CB 1.421 46 residues pruned to eliminate duplicates Z: 85 52.775 2.119 0.972 0.561 0.893 0.607 CB 1.454 85 residues pruned to eliminate duplicates Z: 45 57.188 2.254 1.129 0.646 0.955 0.727 CB 1.642 45 residues pruned to eliminate duplicates Z: 30 34.047 2.082 1.121 0.553 0.897 0.724 CB 1.517 30 residues pruned to eliminate duplicates Z: 15 19.571 2.046 0.560 0.788 0.857 0.643 CB 1.485 15 residues pruned to eliminate duplicates Z: 21 23.884 1.929 1.003 0.625 0.900 0.800 CA 1.366 21 residues pruned to eliminate duplicates Z: 18 34.739 2.145 0.965 0.834 0.941 0.471 CB 1.592 18 residues pruned to eliminate duplicates Z: 82 60.424 2.167 0.938 0.588 0.951 0.654 CB 1.546 82 residues pruned to eliminate duplicates Z: 15 23.705 2.132 0.982 0.493 0.929 0.643 C 1.626 15 residues pruned to eliminate duplicates Z: 33 25.564 2.075 0.609 0.484 0.906 0.625 CB 1.518 33 residues pruned to eliminate duplicates Z: 17 15.376 1.928 0.806 0.451 0.812 0.625 C 1.429 17 residues pruned to eliminate duplicates Z: 19 19.613 1.758 0.981 0.654 0.889 0.833 CA 1.294 19 residues pruned to eliminate duplicates Z: 8 7.525 1.773 0.433 0.655 0.714 0.571 CA 1.357 8 residues pruned to eliminate duplicates Z: 52 43.850 2.201 0.782 0.620 0.941 0.667 CB 1.485 52 residues pruned to eliminate duplicates Z: 53 42.731 2.238 0.774 0.597 0.904 0.635 CB 1.505 52 residues pruned to eliminate duplicates Z: 80 56.348 2.144 0.963 0.582 0.924 0.633 CB 1.506 80 residues pruned to eliminate duplicates Z: 7 15.662 1.957 0.627 0.819 1.000 0.833 CA 1.523 7 residues pruned to eliminate duplicates Z: 16 24.523 2.164 0.732 0.773 0.933 0.533 CB 1.422 16 residues pruned to eliminate duplicates Z: 7 8.587 1.823 0.413 0.620 0.833 0.667 C 1.459 7 residues pruned to eliminate duplicates Z: 87 61.385 2.175 0.896 0.600 0.930 0.674 CB 1.568 87 residues pruned to eliminate duplicates Z: 45 54.533 2.290 1.072 0.649 0.932 0.727 CB 1.618 45 residues pruned to eliminate duplicates Z: 14 15.447 2.004 1.008 0.322 0.846 0.538 CB 1.531 14 residues pruned to eliminate duplicates Z: 14 32.097 2.205 0.884 0.834 1.000 0.769 CB 1.607 14 residues pruned to eliminate duplicates Z: 6 3.021 1.415 0.354 0.782 0.600 0.400 N 0.917 6 residues pruned to eliminate duplicates Z: 11 14.317 1.919 0.466 0.840 1.000 0.900 CB 1.200 11 residues pruned to eliminate duplicates Z: 16 24.591 2.168 1.095 0.510 0.867 0.800 CB 1.597 16 residues pruned to eliminate duplicates Z: 11 17.903 2.007 0.475 0.882 1.000 0.700 CA 1.384 11 residues pruned to eliminate duplicates Z: 131 79.263 2.224 1.007 0.597 0.931 0.662 CB 1.525 131 residues pruned to eliminate duplicates Z: 86 62.817 2.199 0.916 0.594 0.941 0.671 CB 1.571 86 residues pruned to eliminate duplicates Z: 18 26.385 2.262 0.892 0.484 0.941 0.529 CB 1.614 18 residues pruned to eliminate duplicates Z: 36 42.703 2.110 0.998 0.650 0.971 0.657 CB 1.533 36 residues pruned to eliminate duplicates Z: 13 22.239 2.248 0.917 0.659 0.833 0.667 CB 1.543 13 residues pruned to eliminate duplicates Z: 49 43.921 2.178 1.002 0.574 0.875 0.646 CB 1.547 49 residues pruned to eliminate duplicates Z: 7 9.471 2.075 0.370 0.582 0.833 0.667 CA 1.508 7 residues pruned to eliminate duplicates Z: 21 10.612 1.768 0.403 0.475 0.900 0.450 CB 1.090 21 residues pruned to eliminate duplicates Z: 14 32.372 2.251 0.870 0.854 1.000 0.769 CB 1.576 14 residues pruned to eliminate duplicates Z: 12 13.234 1.890 0.430 0.849 0.909 0.545 CA 1.203 12 residues pruned to eliminate duplicates Z: 9 14.936 2.118 0.284 0.884 1.000 0.625 CB 1.403 9 residues pruned to eliminate duplicates Z: 11 16.427 1.890 0.553 0.786 0.900 0.800 CB 1.530 11 residues pruned to eliminate duplicates Z: 12 14.879 1.891 0.667 0.862 0.818 0.727 CA 1.277 12 residues pruned to eliminate duplicates Z: 17 22.622 2.046 0.550 0.793 0.938 0.562 CA 1.471 17 residues pruned to eliminate duplicates Z: 37 46.361 2.154 1.033 0.626 0.944 0.667 CB 1.659 37 residues pruned to eliminate duplicates Z: 44 55.955 2.320 1.114 0.638 0.907 0.698 CB 1.685 44 residues pruned to eliminate duplicates Z: 82 56.474 2.154 0.928 0.594 0.926 0.679 CB 1.492 90 residues pruned to eliminate duplicates Z: 12 12.646 2.062 0.542 0.533 0.818 0.818 CB 1.419 12 residues pruned to eliminate duplicates Z: 12 22.521 1.953 0.748 0.883 1.000 0.818 CA 1.438 12 residues pruned to eliminate duplicates Z: 39 37.198 2.121 0.975 0.490 0.947 0.684 CB 1.536 39 residues pruned to eliminate duplicates Z: 11 17.460 1.934 0.627 0.861 1.000 1.000 CB 1.289 11 residues pruned to eliminate duplicates Z: 52 41.127 2.197 0.803 0.597 0.902 0.667 CB 1.469 52 residues pruned to eliminate duplicates Z: 37 37.184 2.068 1.016 0.564 0.917 0.639 CB 1.523 37 residues pruned to eliminate duplicates Z: 126 83.180 2.240 1.024 0.598 0.944 0.688 CB 1.584 126 residues pruned to eliminate duplicates Z: 34 25.063 1.991 0.749 0.504 0.848 0.576 CB 1.471 33 residues pruned to eliminate duplicates Z: 9 19.795 2.168 0.588 0.900 1.000 1.000 CB 1.452 9 residues pruned to eliminate duplicates Z: 11 11.979 1.917 0.331 0.868 0.900 0.800 CB 1.206 11 residues pruned to eliminate duplicates Z: 33 41.151 2.142 0.925 0.646 0.938 0.656 CB 1.641 33 residues pruned to eliminate duplicates Z: 9 14.526 2.081 0.475 0.882 0.875 0.625 CB 1.384 9 residues pruned to eliminate duplicates Z: 8 11.170 1.873 0.597 0.708 0.857 0.571 CA 1.363 8 residues pruned to eliminate duplicates Z: 24 22.301 1.866 0.943 0.540 0.957 0.739 CB 1.290 Z: 83 61.597 2.204 0.864 0.600 0.963 0.610 CB 1.562 83 residues pruned to eliminate duplicates Z: 53 43.097 2.194 0.706 0.598 0.962 0.596 CB 1.513 53 residues pruned to eliminate duplicates Z: 9 17.482 2.014 0.739 0.884 1.000 0.875 CB 1.275 9 residues pruned to eliminate duplicates Z: 27 17.633 2.047 0.475 0.536 0.808 0.615 CB 1.370 27 residues pruned to eliminate duplicates Z: 11 25.771 2.008 1.314 0.779 0.900 0.800 CA 1.524 11 residues pruned to eliminate duplicates Z: 14 14.607 2.122 0.934 0.398 0.769 0.538 CA 1.428 14 residues pruned to eliminate duplicates Z: 33 29.581 2.080 0.639 0.501 0.969 0.656 CB 1.582 34 residues pruned to eliminate duplicates Z: 15 28.758 2.120 0.889 0.847 0.929 0.643 CB 1.534 15 residues pruned to eliminate duplicates Z: 14 18.396 2.129 0.742 0.621 0.923 0.846 CA 1.329 14 residues pruned to eliminate duplicates Z: 23 18.344 1.846 0.670 0.586 0.909 0.682 CA 1.285 23 residues pruned to eliminate duplicates Z: 28 29.784 2.124 0.778 0.613 0.926 0.667 CB 1.474 28 residues pruned to eliminate duplicates Z: 33 29.771 2.061 0.794 0.557 0.906 0.750 CB 1.486 33 residues pruned to eliminate duplicates Z: 62 59.922 2.245 1.068 0.577 0.951 0.623 CB 1.614 61 residues pruned to eliminate duplicates Z: 50 49.946 2.209 1.053 0.571 0.939 0.673 CB 1.565 50 residues pruned to eliminate duplicates Z: 37 40.866 2.181 1.075 0.515 0.972 0.667 CB 1.526 37 residues pruned to eliminate duplicates Z: 6 8.366 1.647 0.461 0.773 1.000 0.400 N 1.221 6 residues pruned to eliminate duplicates Z: 11 32.059 2.283 1.358 0.649 0.900 0.700 CB 1.821 11 residues pruned to eliminate duplicates Z: 13 13.674 1.802 0.619 0.825 0.917 0.750 CB 1.114 13 residues pruned to eliminate duplicates Z: 23 23.273 1.922 0.839 0.572 0.955 0.682 CA 1.372 23 residues pruned to eliminate duplicates Z: 43 50.648 2.191 1.037 0.651 0.952 0.738 CB 1.598 43 residues pruned to eliminate duplicates Z: 17 18.735 2.070 0.692 0.530 0.938 0.562 CB 1.385 17 residues pruned to eliminate duplicates Z: 86 55.838 2.168 0.892 0.571 0.918 0.671 CB 1.503 86 residues pruned to eliminate duplicates Z: 6 16.998 2.094 0.748 0.875 1.000 0.600 CA 1.510 6 residues pruned to eliminate duplicates Z: 24 20.207 1.814 0.908 0.560 0.870 0.652 CB 1.320 24 residues pruned to eliminate duplicates Z: 13 20.592 2.093 0.928 0.582 0.917 0.667 CB 1.486 13 residues pruned to eliminate duplicates Z: 14 32.094 2.250 0.911 0.892 1.000 0.769 CB 1.487 14 residues pruned to eliminate duplicates Z: 10 14.462 2.127 0.260 0.867 1.000 0.556 CB 1.316 10 residues pruned to eliminate duplicates Z: 10 15.059 2.032 0.396 0.839 1.000 0.667 CA 1.322 10 residues pruned to eliminate duplicates Z: 46 48.801 2.228 1.006 0.623 0.933 0.689 CB 1.553 46 residues pruned to eliminate duplicates Z: 15 29.882 2.176 0.741 0.884 1.000 0.714 CB 1.523 15 residues pruned to eliminate duplicates Z: 23 24.517 1.920 0.815 0.599 0.955 0.636 CA 1.429 24 residues pruned to eliminate duplicates Z: 19 24.851 2.062 0.596 0.781 0.889 0.667 CA 1.564 19 residues pruned to eliminate duplicates Z: 20 16.835 1.928 0.826 0.436 0.947 0.579 CB 1.237 20 residues pruned to eliminate duplicates Z: 12 17.049 1.942 0.799 0.841 0.818 0.727 CB 1.341 12 residues pruned to eliminate duplicates Z: 32 46.315 2.174 1.202 0.610 0.968 0.710 CB 1.619 32 residues pruned to eliminate duplicates Z: 14 13.401 1.742 0.379 0.818 0.923 0.692 CB 1.273 14 residues pruned to eliminate duplicates Z: 10 9.372 1.758 0.618 0.470 0.889 0.556 CB 1.273 10 residues pruned to eliminate duplicates Z: 11 20.499 2.193 1.101 0.510 0.900 0.700 CA 1.548 11 residues pruned to eliminate duplicates Z: 35 48.524 2.206 1.016 0.641 0.971 0.647 CB 1.690 35 residues pruned to eliminate duplicates Z: 47 44.067 2.175 0.954 0.572 0.935 0.717 CB 1.526 47 residues pruned to eliminate duplicates Z: 25 21.528 1.829 0.795 0.502 0.958 0.708 CB 1.393 25 residues pruned to eliminate duplicates Z: 13 18.057 1.838 0.908 0.726 1.000 0.833 CB 1.212 13 residues pruned to eliminate duplicates Z: 11 16.923 1.936 0.605 0.849 1.000 0.600 CB 1.277 11 residues pruned to eliminate duplicates Z: 96 68.327 2.225 0.995 0.600 0.916 0.695 CB 1.568 96 residues pruned to eliminate duplicates Z: 14 36.658 2.319 0.754 0.876 1.000 0.846 CA 1.817 14 residues pruned to eliminate duplicates Z: 8 7.386 1.821 0.187 0.632 0.857 0.571 CB 1.332 8 residues pruned to eliminate duplicates Z: 51 33.979 2.089 0.799 0.592 0.860 0.560 CB 1.361 44 residues pruned to eliminate duplicates Z: 23 21.171 1.835 0.785 0.644 0.955 0.727 CB 1.262 23 residues pruned to eliminate duplicates Z: 89 51.937 2.088 0.906 0.549 0.920 0.670 CB 1.441 89 residues pruned to eliminate duplicates Z: 85 50.563 2.169 0.803 0.558 0.917 0.702 CB 1.456 85 residues pruned to eliminate duplicates Z: 16 22.605 2.078 0.518 0.795 0.933 0.800 CB 1.531 16 residues pruned to eliminate duplicates Z: 52 43.663 2.195 1.037 0.515 0.922 0.725 CB 1.462 52 residues pruned to eliminate duplicates Z: 34 49.259 2.230 1.040 0.673 1.000 0.727 CB 1.606 34 residues pruned to eliminate duplicates Z: 31 33.103 2.110 0.668 0.697 0.967 0.733 CB 1.483 31 residues pruned to eliminate duplicates Z: 12 5.819 1.797 0.505 0.187 0.818 0.455 CB 1.155 12 residues pruned to eliminate duplicates Z: 13 7.891 1.675 0.532 0.411 0.833 0.500 CB 1.170 13 residues pruned to eliminate duplicates Z: 33 42.817 2.171 1.047 0.563 0.969 0.781 CB 1.654 33 residues pruned to eliminate duplicates Z: 12 19.062 2.060 0.870 0.463 1.000 0.727 CB 1.549 12 residues pruned to eliminate duplicates Z: 23 18.797 1.906 0.798 0.562 0.818 0.727 CB 1.346 23 residues pruned to eliminate duplicates Z: 47 26.146 1.936 0.585 0.580 0.913 0.630 CB 1.274 80 residues pruned to eliminate duplicates Z: 16 14.778 1.890 0.658 0.483 0.867 0.467 CA 1.430 19 residues pruned to eliminate duplicates Z: 13 15.345 1.920 0.738 0.365 1.000 0.500 CB 1.536 13 residues pruned to eliminate duplicates Z: 10 8.017 1.641 0.847 0.638 0.889 0.889 CB 0.872 10 residues pruned to eliminate duplicates Z: 26 25.357 2.164 0.636 0.514 0.920 0.760 CB 1.535 Z: 84 62.976 2.209 0.915 0.590 0.952 0.687 CB 1.576 84 residues pruned to eliminate duplicates Z: 17 22.982 2.125 1.053 0.501 0.938 0.812 CB 1.404 17 residues pruned to eliminate duplicates Z: 8 6.474 1.504 0.827 0.540 0.714 0.429 CA 1.199 8 residues pruned to eliminate duplicates Z: 25 18.427 1.794 0.754 0.558 0.958 0.625 CB 1.179 25 residues pruned to eliminate duplicates Z: 32 25.161 2.084 0.688 0.483 0.871 0.581 CB 1.501 32 residues pruned to eliminate duplicates Z: 16 29.878 2.175 0.802 0.816 0.867 0.867 CB 1.727 16 residues pruned to eliminate duplicates Z: 7 5.264 1.981 0.488 0.420 0.667 0.333 CB 1.188 7 residues pruned to eliminate duplicates Z: 10 11.645 1.870 0.660 0.618 0.889 0.778 CA 1.259 10 residues pruned to eliminate duplicates Z: 9 3.424 1.387 0.006 0.507 1.000 0.375 CB 0.861 9 residues pruned to eliminate duplicates Z: 35 26.670 2.093 0.651 0.491 0.971 0.588 CB 1.376 26 residues pruned to eliminate duplicates Z: 37 35.556 2.089 0.953 0.539 0.944 0.750 CB 1.480 37 residues pruned to eliminate duplicates Z: 22 27.595 2.008 0.972 0.583 0.905 0.667 CB 1.552 20 residues pruned to eliminate duplicates Z: 22 24.430 2.031 0.622 0.576 1.000 0.429 CB 1.504 19 residues pruned to eliminate duplicates Z: 12 7.475 1.658 0.249 0.539 0.909 0.727 CB 1.152 12 residues pruned to eliminate duplicates Z: 18 34.452 2.241 0.816 0.786 0.941 0.824 CB 1.697 18 residues pruned to eliminate duplicates Z: 11 13.705 1.844 0.763 0.678 1.000 0.800 CB 1.132 11 residues pruned to eliminate duplicates Z: 10 10.020 1.824 0.413 0.565 0.889 0.667 CA 1.369 10 residues pruned to eliminate duplicates Z: 25 16.879 1.945 0.403 0.519 0.875 0.542 CB 1.416 25 residues pruned to eliminate duplicates Z: 25 27.518 2.178 0.726 0.535 0.958 0.625 CB 1.506 25 residues pruned to eliminate duplicates Z: 12 22.648 1.975 1.182 0.669 0.909 0.818 CA 1.491 11 residues pruned to eliminate duplicates Z: 12 20.256 2.143 1.024 0.599 0.909 0.818 CB 1.409 12 residues pruned to eliminate duplicates Z: 89 51.576 2.119 0.897 0.565 0.909 0.682 CB 1.413 89 residues pruned to eliminate duplicates Z: 6 13.113 1.977 0.588 0.876 1.000 0.800 CA 1.357 6 residues pruned to eliminate duplicates Z: 46 49.309 2.199 0.955 0.647 0.956 0.644 CB 1.559 46 residues pruned to eliminate duplicates Z: 21 22.134 1.931 0.758 0.642 1.000 0.700 CB 1.276 21 residues pruned to eliminate duplicates Z: 14 32.833 2.260 0.842 0.889 1.000 0.615 CB 1.575 14 residues pruned to eliminate duplicates Z: 13 17.068 1.820 0.566 0.865 0.917 0.750 CB 1.382 13 residues pruned to eliminate duplicates Z: 7 3.104 1.516 -0.191 0.741 0.833 0.667 CB 1.000 7 residues pruned to eliminate duplicates Z: 16 35.669 2.238 1.069 0.842 0.933 0.733 CB 1.587 16 residues pruned to eliminate duplicates Z: 9 8.185 1.519 0.420 0.802 0.875 0.625 CA 1.178 9 residues pruned to eliminate duplicates Z: 20 34.013 2.242 0.769 0.742 1.000 0.632 CB 1.584 20 residues pruned to eliminate duplicates Z: 64 59.079 2.203 1.210 0.586 0.889 0.667 CB 1.583 66 residues pruned to eliminate duplicates Z: 16 23.574 2.080 0.524 0.808 0.933 0.600 CA 1.572 16 residues pruned to eliminate duplicates Z: 22 19.758 1.842 0.699 0.637 0.905 0.667 CA 1.339 22 residues pruned to eliminate duplicates Z: 14 32.027 2.241 0.937 0.877 0.923 0.615 CB 1.610 14 residues pruned to eliminate duplicates Z: 93 53.407 2.141 0.822 0.554 0.902 0.609 CB 1.501 93 residues pruned to eliminate duplicates Z: 14 14.892 1.779 0.588 0.827 0.846 0.769 CB 1.302 14 residues pruned to eliminate duplicates Z: 81 50.043 2.120 0.836 0.592 0.900 0.650 CB 1.462 81 residues pruned to eliminate duplicates Z: 11 9.298 1.714 0.481 0.572 0.800 0.800 CB 1.351 11 residues pruned to eliminate duplicates Z: 11 31.033 2.055 1.307 0.789 1.000 1.000 CA 1.607 11 residues pruned to eliminate duplicates Z: 19 21.042 2.076 0.932 0.436 0.833 0.500 CB 1.586 19 residues pruned to eliminate duplicates Z: 19 12.323 1.677 0.653 0.472 0.889 0.556 CB 1.213 19 residues pruned to eliminate duplicates Z: 10 8.032 1.784 0.631 0.495 0.778 0.556 CB 1.188 10 residues pruned to eliminate duplicates Z: 12 13.786 1.833 0.347 0.838 0.909 0.727 CB 1.384 12 residues pruned to eliminate duplicates Z: 86 62.300 2.209 0.918 0.593 0.953 0.706 CB 1.532 86 residues pruned to eliminate duplicates Z: 20 29.750 2.217 0.975 0.582 0.895 0.737 CB 1.611 20 residues pruned to eliminate duplicates Z: 25 27.308 2.092 0.739 0.544 0.958 0.583 CB 1.532 25 residues pruned to eliminate duplicates Z: 23 16.114 1.818 0.771 0.556 0.818 0.636 CB 1.235 23 residues pruned to eliminate duplicates Z: 11 15.959 1.984 0.537 0.853 1.000 0.700 CA 1.223 11 residues pruned to eliminate duplicates Z: 135 75.461 2.180 0.945 0.596 0.925 0.642 CB 1.516 135 residues pruned to eliminate duplicates Z: 31 60.044 2.331 1.211 0.729 1.000 0.733 CB 1.730 32 residues pruned to eliminate duplicates Z: 26 25.609 2.087 0.663 0.596 0.960 0.600 CB 1.402 27 residues pruned to eliminate duplicates Z: 16 20.958 2.136 1.079 0.434 0.867 0.467 CA 1.506 16 residues pruned to eliminate duplicates Z: 89 52.522 2.124 0.843 0.576 0.920 0.705 CB 1.445 89 residues pruned to eliminate duplicates Z: 25 20.526 2.001 0.481 0.521 0.958 0.583 CB 1.444 25 residues pruned to eliminate duplicates Z: 6 9.359 2.186 0.122 0.781 1.000 1.000 CA 1.332 6 residues pruned to eliminate duplicates Z: 87 70.382 2.233 1.111 0.578 0.942 0.733 CB 1.586 87 residues pruned to eliminate duplicates Z: 13 20.893 2.008 1.409 0.625 0.917 0.583 CB 1.208 13 residues pruned to eliminate duplicates Z: 31 30.235 2.114 0.877 0.538 0.900 0.600 CB 1.490 31 residues pruned to eliminate duplicates Z: 49 40.676 2.133 0.966 0.531 0.938 0.688 CB 1.448 49 residues pruned to eliminate duplicates Z: 44 51.109 2.273 0.998 0.565 0.977 0.651 CB 1.651 44 residues pruned to eliminate duplicates Z: 37 34.955 1.990 1.092 0.519 0.972 0.722 CB 1.412 37 residues pruned to eliminate duplicates Z: 87 48.157 2.110 0.869 0.538 0.884 0.605 CB 1.436 87 residues pruned to eliminate duplicates Z: 38 45.365 2.161 1.123 0.561 1.000 0.703 CB 1.533 38 residues pruned to eliminate duplicates Z: 7 13.054 1.929 0.473 0.760 1.000 0.500 CA 1.489 7 residues pruned to eliminate duplicates Z: 37 41.200 2.154 1.012 0.489 1.000 0.694 CB 1.602 37 residues pruned to eliminate duplicates Z: 87 58.300 2.173 0.947 0.575 0.919 0.640 CB 1.505 89 residues pruned to eliminate duplicates Z: 22 22.337 1.859 0.823 0.580 0.905 0.714 CA 1.471 22 residues pruned to eliminate duplicates Z: 24 23.781 2.082 0.404 0.584 1.000 0.609 CB 1.565 24 residues pruned to eliminate duplicates Z: 6 4.148 1.466 0.637 0.599 0.800 0.600 CA 0.880 Z: 46 51.541 2.262 1.063 0.613 0.933 0.711 CB 1.586 46 residues pruned to eliminate duplicates Z: 74 53.500 2.138 0.851 0.594 0.932 0.644 CB 1.553 74 residues pruned to eliminate duplicates Z: 23 17.856 1.853 0.810 0.503 0.864 0.591 CB 1.310 23 residues pruned to eliminate duplicates Z: 18 18.430 2.039 0.765 0.474 0.882 0.412 CB 1.445 18 residues pruned to eliminate duplicates Z: 36 44.468 2.169 1.016 0.529 1.000 0.714 CB 1.671 36 residues pruned to eliminate duplicates Z: 7 8.983 1.673 0.599 0.881 1.000 0.833 CA 0.993 7 residues pruned to eliminate duplicates Z: 17 27.517 2.084 0.787 0.764 0.938 0.750 CB 1.559 17 residues pruned to eliminate duplicates Z: 8 2.993 1.507 0.446 0.326 0.714 0.571 CB 0.880 Z: 12 15.886 2.079 0.411 0.839 0.909 0.909 CB 1.341 12 residues pruned to eliminate duplicates Z: 18 34.882 2.173 1.130 0.738 0.941 0.706 CB 1.569 18 residues pruned to eliminate duplicates Z: 11 8.598 1.841 0.401 0.581 1.000 0.700 CB 0.976 11 residues pruned to eliminate duplicates Z: 15 6.525 1.496 0.652 0.410 0.857 0.643 CB 0.904 15 residues pruned to eliminate duplicates Z: 30 31.850 2.028 0.981 0.540 0.897 0.759 CB 1.579 30 residues pruned to eliminate duplicates Z: 15 17.810 1.664 0.539 0.850 1.000 0.714 CB 1.377 15 residues pruned to eliminate duplicates Z: 16 19.638 2.014 0.801 0.711 0.867 0.600 CB 1.333 15 residues pruned to eliminate duplicates Z: 49 30.641 2.062 0.602 0.586 0.917 0.708 CB 1.345 49 residues pruned to eliminate duplicates Z: 24 25.966 1.892 0.856 0.651 1.000 0.783 CB 1.340 24 residues pruned to eliminate duplicates Z: 38 33.308 2.056 0.969 0.549 0.892 0.757 CB 1.446 38 residues pruned to eliminate duplicates Z: 34 26.199 2.221 0.630 0.508 0.848 0.576 CB 1.473 34 residues pruned to eliminate duplicates Z: 6 2.369 1.578 -0.082 0.470 0.800 0.600 CA 0.943 6 residues pruned to eliminate duplicates Z: 11 8.606 1.730 0.486 0.462 0.900 0.600 CB 1.222 11 residues pruned to eliminate duplicates Z: 17 17.268 1.999 0.439 0.502 1.000 0.438 CB 1.498 17 residues pruned to eliminate duplicates Z: 34 25.468 2.190 0.761 0.467 0.848 0.545 CB 1.402 34 residues pruned to eliminate duplicates Z: 36 38.434 2.096 0.987 0.561 0.943 0.829 CB 1.559 36 residues pruned to eliminate duplicates Z: 40 26.574 2.013 0.673 0.537 0.923 0.590 CB 1.320 42 residues pruned to eliminate duplicates Z: 10 13.172 1.832 0.724 0.617 0.889 0.778 CA 1.399 11 residues pruned to eliminate duplicates Z: 6 14.483 1.968 0.813 0.846 1.000 0.600 CB 1.349 6 residues pruned to eliminate duplicates Z: 32 27.961 2.075 0.663 0.524 0.903 0.516 CB 1.574 32 residues pruned to eliminate duplicates Z: 7 6.047 1.614 0.139 0.699 1.000 0.833 N 1.120 Z: 83 55.361 2.145 0.877 0.592 0.927 0.646 CB 1.500 82 residues pruned to eliminate duplicates Z: 11 8.624 2.093 0.672 0.300 0.700 0.300 CB 1.392 11 residues pruned to eliminate duplicates Z: 25 17.305 1.865 0.494 0.554 0.958 0.500 CB 1.255 25 residues pruned to eliminate duplicates Z: 12 5.612 1.560 0.281 0.481 0.818 0.455 CB 1.055 7 residues pruned to eliminate duplicates Z: 10 9.068 1.881 0.599 0.410 0.778 0.556 CA 1.419 10 residues pruned to eliminate duplicates Z: 11 20.158 2.010 1.003 0.608 0.900 0.800 CA 1.587 11 residues pruned to eliminate duplicates Z: 16 27.485 2.316 0.697 0.810 0.867 0.733 CB 1.591 16 residues pruned to eliminate duplicates Z: 22 28.944 2.121 0.806 0.643 0.905 0.714 CB 1.594 22 residues pruned to eliminate duplicates Z: 10 10.362 1.823 0.489 0.668 0.889 0.778 CA 1.226 10 residues pruned to eliminate duplicates Z: 28 17.684 1.989 0.597 0.534 0.889 0.556 CB 1.165 28 residues pruned to eliminate duplicates Z: 21 31.990 2.038 0.854 0.737 0.950 0.750 CB 1.610 21 residues pruned to eliminate duplicates Z: 20 21.376 2.009 0.940 0.415 0.947 0.579 CB 1.452 20 residues pruned to eliminate duplicates Z: 50 40.100 2.242 0.690 0.600 0.918 0.673 CB 1.497 50 residues pruned to eliminate duplicates Z: 25 24.827 2.100 1.024 0.412 0.875 0.625 CB 1.494 25 residues pruned to eliminate duplicates Z: 22 33.157 2.116 1.066 0.586 1.000 0.667 CB 1.524 22 residues pruned to eliminate duplicates Z: 45 46.869 2.145 0.975 0.642 0.955 0.727 CB 1.531 45 residues pruned to eliminate duplicates Z: 91 67.092 2.199 1.052 0.598 0.956 0.689 CB 1.494 90 residues pruned to eliminate duplicates Z: 17 20.638 2.066 0.612 0.513 0.938 0.500 CB 1.631 17 residues pruned to eliminate duplicates Z: 17 28.572 2.100 0.810 0.763 0.938 0.625 CA 1.587 17 residues pruned to eliminate duplicates Z: 30 23.972 1.996 0.906 0.425 0.862 0.586 CB 1.467 30 residues pruned to eliminate duplicates Z: 6 2.156 1.466 0.655 0.386 0.600 0.400 CB 0.748 Z: 14 17.918 1.814 0.647 0.858 0.923 0.538 CB 1.327 14 residues pruned to eliminate duplicates Z: 12 23.159 2.185 0.695 0.723 1.000 0.727 CB 1.542 12 residues pruned to eliminate duplicates Z: 26 25.674 2.010 0.911 0.490 0.920 0.560 CB 1.467 26 residues pruned to eliminate duplicates Z: 28 27.733 2.138 0.505 0.508 0.963 0.704 CA 1.708 28 residues pruned to eliminate duplicates Z: 33 28.903 2.130 0.761 0.554 0.938 0.531 CB 1.378 33 residues pruned to eliminate duplicates Z: 53 40.990 2.143 1.022 0.502 0.904 0.673 CB 1.448 53 residues pruned to eliminate duplicates Z: 6 2.463 1.778 0.279 0.160 0.600 0.400 CB 1.224 6 residues pruned to eliminate duplicates Z: 26 20.089 2.117 0.527 0.498 0.880 0.440 CB 1.416 26 residues pruned to eliminate duplicates Z: 33 26.218 2.081 0.676 0.480 0.938 0.531 CB 1.446 33 residues pruned to eliminate duplicates Z: 95 52.895 2.135 0.840 0.551 0.904 0.649 CB 1.462 95 residues pruned to eliminate duplicates Z: 42 36.463 2.085 0.793 0.646 0.902 0.634 CB 1.473 42 residues pruned to eliminate duplicates Z: 15 31.976 2.170 0.881 0.883 0.929 0.714 CB 1.630 15 residues pruned to eliminate duplicates Z: 15 11.074 2.010 0.896 0.344 0.714 0.571 CB 1.288 15 residues pruned to eliminate duplicates Z: 11 5.190 1.895 0.362 0.338 0.600 0.600 CB 1.266 11 residues pruned to eliminate duplicates Z: 59 50.791 2.190 0.841 0.629 0.948 0.655 CB 1.544 59 residues pruned to eliminate duplicates Z: 70 48.268 2.179 1.025 0.505 0.899 0.667 CB 1.458 70 residues pruned to eliminate duplicates Z: 64 53.757 2.191 1.049 0.511 0.937 0.667 CB 1.594 64 residues pruned to eliminate duplicates Z: 14 35.216 2.265 0.984 0.891 1.000 0.769 CB 1.563 14 residues pruned to eliminate duplicates Z: 15 14.718 1.703 0.405 0.849 0.929 0.786 CB 1.313 15 residues pruned to eliminate duplicates Z: 42 34.450 2.152 0.708 0.608 0.951 0.561 CB 1.389 42 residues pruned to eliminate duplicates Z: 24 24.892 1.845 0.983 0.624 0.913 0.739 CA 1.383 22 residues pruned to eliminate duplicates Z: 11 29.475 2.014 1.422 0.750 1.000 1.000 CA 1.529 11 residues pruned to eliminate duplicates Z: 13 17.473 1.917 1.364 0.608 1.000 0.667 CB 1.005 13 residues pruned to eliminate duplicates Z: 10 8.482 2.048 0.738 0.355 0.667 0.556 CB 1.394 10 residues pruned to eliminate duplicates Z: 19 21.736 2.197 0.677 0.598 0.944 0.667 CB 1.341 19 residues pruned to eliminate duplicates Z: 19 14.461 1.754 0.559 0.528 0.944 0.722 CB 1.284 19 residues pruned to eliminate duplicates Z: 16 30.114 2.068 0.843 0.840 1.000 0.467 CB 1.522 16 residues pruned to eliminate duplicates Z: 32 18.966 1.886 0.804 0.493 0.839 0.484 CB 1.203 30 residues pruned to eliminate duplicates Z: 9 7.158 1.819 0.465 0.513 0.750 0.625 CB 1.251 10 residues pruned to eliminate duplicates Z: 16 15.936 1.875 0.773 0.464 0.867 0.667 CA 1.482 16 residues pruned to eliminate duplicates Z: 9 4.826 1.331 0.590 0.336 1.000 0.500 C 0.964 Z: 33 19.375 2.074 0.638 0.456 0.750 0.562 CB 1.406 33 residues pruned to eliminate duplicates Z: 12 16.321 1.999 0.634 0.826 0.818 0.727 CA 1.388 12 residues pruned to eliminate duplicates Z: 29 12.899 1.913 0.340 0.508 0.750 0.429 CB 1.258 29 residues pruned to eliminate duplicates Z: 6 3.073 1.161 0.143 0.707 1.000 0.800 CA 0.858 Z: 16 33.599 2.055 0.880 0.898 1.000 0.533 CA 1.606 16 residues pruned to eliminate duplicates Z: 128 77.820 2.221 0.965 0.601 0.937 0.693 CB 1.534 128 residues pruned to eliminate duplicates Z: 13 20.947 2.149 1.051 0.515 0.917 0.750 CB 1.474 13 residues pruned to eliminate duplicates Z: 42 37.660 2.177 1.105 0.494 0.878 0.561 CB 1.470 42 residues pruned to eliminate duplicates Z: 9 19.659 2.044 0.840 0.716 1.000 0.750 CA 1.520 9 residues pruned to eliminate duplicates Z: 23 14.841 1.981 0.733 0.479 0.682 0.455 CB 1.380 23 residues pruned to eliminate duplicates Z: 9 2.972 1.546 0.310 0.388 0.500 0.500 CB 1.169 9 residues pruned to eliminate duplicates Z: 20 33.055 2.066 0.764 0.815 1.000 0.842 CA 1.582 20 residues pruned to eliminate duplicates Z: 21 20.798 1.897 0.754 0.603 0.900 0.700 CA 1.407 21 residues pruned to eliminate duplicates Z: 48 41.674 2.080 0.985 0.555 0.936 0.702 CB 1.490 48 residues pruned to eliminate duplicates Z: 29 22.193 2.085 0.837 0.458 0.893 0.607 CB 1.280 29 residues pruned to eliminate duplicates Z: 11 3.549 1.667 0.184 0.281 0.900 0.300 CB 0.809 11 residues pruned to eliminate duplicates Z: 86 54.356 2.146 0.854 0.586 0.906 0.671 CB 1.507 86 residues pruned to eliminate duplicates Z: 43 41.584 2.157 0.880 0.537 0.952 0.690 CB 1.603 43 residues pruned to eliminate duplicates Z: 34 40.533 2.185 0.950 0.597 0.939 0.697 CB 1.607 34 residues pruned to eliminate duplicates Z: 7 3.139 1.696 -0.080 0.452 1.000 0.833 CB 0.863 Z: 13 12.900 1.794 0.392 0.824 0.917 0.667 CB 1.229 13 residues pruned to eliminate duplicates 6 1.087 1.567 0.156 0.297 0.400 0.400 CB 0.842 ? Z: 22 28.502 2.128 0.684 0.721 0.952 0.667 CB 1.492 22 residues pruned to eliminate duplicates Z: 13 5.935 1.908 0.231 0.466 0.833 0.583 CB 0.906 13 residues pruned to eliminate duplicates Z: 15 30.483 2.188 0.772 0.860 1.000 0.857 CB 1.545 15 residues pruned to eliminate duplicates Z: 36 39.980 2.157 0.789 0.652 0.971 0.714 CB 1.565 36 residues pruned to eliminate duplicates Z: 47 44.211 2.256 0.887 0.568 0.913 0.696 CB 1.571 47 residues pruned to eliminate duplicates Z: 15 8.710 1.552 0.483 0.537 0.857 0.714 CB 1.138 15 residues pruned to eliminate duplicates Z: 44 38.088 2.233 0.722 0.569 0.930 0.721 CB 1.518 44 residues pruned to eliminate duplicates Z: 6 2.677 1.406 0.333 0.440 0.800 0.600 CB 0.850 Z: 38 52.024 2.130 1.266 0.685 0.973 0.622 CB 1.537 38 residues pruned to eliminate duplicates Z: 15 29.128 2.110 0.719 0.887 0.929 0.786 CA 1.666 15 residues pruned to eliminate duplicates Z: 17 22.801 2.060 0.876 0.780 0.938 0.688 CB 1.229 17 residues pruned to eliminate duplicates Z: 133 77.952 2.230 0.928 0.610 0.924 0.689 CB 1.538 131 residues pruned to eliminate duplicates Z: 11 12.001 1.591 0.697 0.600 1.000 0.600 CA 1.277 11 residues pruned to eliminate duplicates Z: 81 65.049 2.229 1.010 0.571 0.950 0.675 CB 1.596 81 residues pruned to eliminate duplicates Z: 27 19.210 2.078 0.536 0.479 0.923 0.615 CB 1.306 27 residues pruned to eliminate duplicates Z: 12 7.414 1.743 0.510 0.429 0.818 0.636 CB 1.118 12 residues pruned to eliminate duplicates Z: 10 20.429 1.927 1.061 0.667 1.000 0.889 CA 1.469 10 residues pruned to eliminate duplicates Z: 13 7.819 1.679 0.664 0.399 0.750 0.500 CB 1.198 13 residues pruned to eliminate duplicates Z: 34 43.924 2.278 1.148 0.537 0.909 0.697 CB 1.658 34 residues pruned to eliminate duplicates Z: 15 20.600 2.102 0.952 0.451 0.929 0.643 CB 1.520 15 residues pruned to eliminate duplicates Z: 78 55.808 2.162 0.912 0.566 0.961 0.740 CB 1.501 78 residues pruned to eliminate duplicates Z: 14 5.580 1.877 0.374 0.221 0.615 0.231 CB 1.353 14 residues pruned to eliminate duplicates 367 residues left after pruning, divided into chains as follows: A: 23 B: 155 C: 20 D: 169 CC for partial structure against native data = 42.04 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.459, Connect. = 0.691 for dens.mod. cycle 1 = 0.300, Contrast = 0.541, Connect. = 0.730 for dens.mod. cycle 2 = 0.300, Contrast = 0.652, Connect. = 0.762 for dens.mod. cycle 3 = 0.300, Contrast = 0.666, Connect. = 0.766 for dens.mod. cycle 4 = 0.300, Contrast = 0.679, Connect. = 0.769 for dens.mod. cycle 5 = 0.300, Contrast = 0.683, Connect. = 0.771 for dens.mod. cycle 6 = 0.300, Contrast = 0.688, Connect. = 0.772 for dens.mod. cycle 7 = 0.300, Contrast = 0.689, Connect. = 0.773 for dens.mod. cycle 8 = 0.300, Contrast = 0.690, Connect. = 0.774 for dens.mod. cycle 9 = 0.300, Contrast = 0.691, Connect. = 0.774 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2819 peaks > 0.5 sigma used to seed fragment search Space for about 535 unique residues taking solvent into account 616 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 48.325 2.368 1.151 0.809 1.000 0.706 CA 1.758 B: 17 46.620 2.407 1.145 0.848 0.875 0.812 CA 1.914 17 residues pruned to eliminate duplicates C: 15 37.244 2.353 0.813 0.858 1.000 0.714 CB 1.718 D: 15 37.283 2.388 0.763 0.802 1.000 0.714 CB 1.818 15 residues pruned to eliminate duplicates E: 15 29.540 2.247 0.530 0.868 1.000 0.857 CA 1.679 15 residues pruned to eliminate duplicates F: 15 37.036 2.310 0.794 0.894 1.000 0.786 CB 1.713 G: 16 31.765 2.166 0.850 0.898 1.000 0.800 CB 1.464 15 residues pruned to eliminate duplicates H: 17 45.408 2.426 0.804 0.843 1.000 0.812 CA 1.931 17 residues pruned to eliminate duplicates I: 17 28.700 2.204 0.518 0.795 1.000 0.562 CA 1.656 17 residues pruned to eliminate duplicates J: 31 21.040 2.024 0.534 0.528 0.867 0.700 CB 1.389 K: 96 61.008 2.209 0.792 0.564 0.947 0.642 CB 1.568 L: 17 28.936 2.187 0.644 0.797 1.000 0.500 CB 1.552 17 residues pruned to eliminate duplicates M: 15 38.709 2.332 0.904 0.893 1.000 0.714 CB 1.672 16 residues pruned to eliminate duplicates N: 45 52.517 2.285 0.995 0.605 0.909 0.705 CB 1.728 15 residues pruned to eliminate duplicates O: 9 20.620 2.399 0.579 0.634 1.000 0.875 CB 1.696 9 residues pruned to eliminate duplicates P: 16 32.850 2.214 0.762 0.890 1.000 0.733 CB 1.564 16 residues pruned to eliminate duplicates Q: 17 46.399 2.420 0.899 0.848 1.000 0.750 CA 1.873 17 residues pruned to eliminate duplicates R: 16 24.804 2.148 0.372 0.890 1.000 0.800 CB 1.564 15 residues pruned to eliminate duplicates S: 18 32.726 1.920 0.965 0.878 1.000 0.471 CB 1.527 17 residues pruned to eliminate duplicates T: 17 42.619 2.387 0.900 0.829 1.000 0.812 CA 1.768 17 residues pruned to eliminate duplicates U: 17 29.146 2.110 0.800 0.845 0.938 0.688 CA 1.521 17 residues pruned to eliminate duplicates V: 33 36.769 2.111 0.823 0.589 0.938 0.594 CB 1.654 W: 13 21.556 2.151 1.111 0.484 0.917 0.667 CB 1.520 X: 19 27.031 2.269 0.956 0.507 1.000 0.722 CB 1.427 39 residues pruned to eliminate duplicates Y: 39 35.411 2.115 1.110 0.491 0.921 0.658 CB 1.409 Z: 86 66.752 2.240 0.892 0.601 0.965 0.647 CB 1.608 96 residues pruned to eliminate duplicates Z: 13 30.626 2.284 0.784 0.890 1.000 0.750 CB 1.561 14 residues pruned to eliminate duplicates Z: 31 29.687 2.159 0.572 0.523 0.933 0.600 CB 1.672 31 residues pruned to eliminate duplicates Z: 14 29.894 2.324 0.552 0.893 1.000 0.692 CB 1.650 14 residues pruned to eliminate duplicates Z: 15 36.535 2.277 0.780 0.851 1.000 0.571 CA 1.783 15 residues pruned to eliminate duplicates Z: 15 35.181 2.320 0.698 0.899 1.000 0.786 CB 1.706 15 residues pruned to eliminate duplicates Z: 18 27.688 2.210 0.687 0.782 0.882 0.529 CA 1.593 18 residues pruned to eliminate duplicates Z: 11 18.577 2.118 0.593 0.584 1.000 0.500 CB 1.606 11 residues pruned to eliminate duplicates Z: 26 20.853 2.041 0.390 0.491 0.920 0.560 CB 1.612 26 residues pruned to eliminate duplicates Z: 80 62.021 2.272 0.814 0.612 0.949 0.709 CB 1.604 82 residues pruned to eliminate duplicates Z: 44 53.852 2.321 0.923 0.615 0.953 0.721 CB 1.731 45 residues pruned to eliminate duplicates Z: 16 31.191 2.192 0.689 0.887 1.000 0.867 CB 1.568 16 residues pruned to eliminate duplicates Z: 17 21.465 2.203 0.340 0.774 0.875 0.750 CA 1.630 17 residues pruned to eliminate duplicates Z: 27 31.171 2.221 0.620 0.486 1.000 0.731 CB 1.723 27 residues pruned to eliminate duplicates Z: 49 55.201 2.333 1.011 0.595 0.896 0.625 CB 1.731 25 residues pruned to eliminate duplicates Z: 97 67.069 2.241 1.036 0.551 0.917 0.656 CB 1.557 83 residues pruned to eliminate duplicates Z: 73 65.894 2.279 0.956 0.588 0.931 0.736 CB 1.720 73 residues pruned to eliminate duplicates Z: 18 20.683 1.953 0.417 0.859 0.941 0.706 CA 1.417 18 residues pruned to eliminate duplicates Z: 16 37.429 2.344 0.786 0.803 1.000 0.667 CB 1.771 18 residues pruned to eliminate duplicates Z: 18 39.006 2.373 0.894 0.790 0.882 0.588 CA 1.848 18 residues pruned to eliminate duplicates Z: 127 80.721 2.286 0.934 0.588 0.921 0.667 CB 1.624 127 residues pruned to eliminate duplicates Z: 22 21.714 1.988 0.512 0.522 0.905 0.619 CA 1.706 22 residues pruned to eliminate duplicates Z: 15 41.807 2.408 0.992 0.826 0.929 0.714 CB 1.892 16 residues pruned to eliminate duplicates Z: 38 37.023 2.183 0.814 0.513 0.946 0.730 CB 1.604 38 residues pruned to eliminate duplicates Z: 84 53.495 2.219 0.881 0.550 0.867 0.590 CB 1.544 84 residues pruned to eliminate duplicates Z: 16 29.294 2.227 0.528 0.846 1.000 0.667 CA 1.651 16 residues pruned to eliminate duplicates Z: 19 18.484 2.129 0.624 0.458 0.889 0.556 CB 1.480 19 residues pruned to eliminate duplicates Z: 14 7.856 1.894 0.510 0.226 0.769 0.385 CB 1.364 14 residues pruned to eliminate duplicates Z: 38 40.002 2.234 0.921 0.563 0.919 0.811 CB 1.569 38 residues pruned to eliminate duplicates Z: 18 36.406 2.275 0.645 0.831 1.000 0.647 CA 1.773 18 residues pruned to eliminate duplicates Z: 15 32.213 2.194 0.963 0.846 0.929 0.786 CB 1.599 17 residues pruned to eliminate duplicates Z: 16 38.907 2.356 0.875 0.832 1.000 0.800 CB 1.707 15 residues pruned to eliminate duplicates Z: 68 52.843 2.268 0.786 0.572 0.925 0.701 CB 1.607 68 residues pruned to eliminate duplicates Z: 16 27.567 2.175 0.555 0.877 1.000 0.800 CB 1.529 16 residues pruned to eliminate duplicates Z: 27 28.087 2.096 0.496 0.556 1.000 0.577 CB 1.662 27 residues pruned to eliminate duplicates Z: 19 25.809 2.136 0.609 0.776 0.889 0.611 CA 1.560 19 residues pruned to eliminate duplicates Z: 22 27.342 2.008 0.838 0.620 0.952 0.667 CA 1.516 Z: 93 69.967 2.229 0.942 0.556 0.967 0.663 CB 1.650 99 residues pruned to eliminate duplicates Z: 13 13.676 2.192 0.532 0.524 0.833 0.667 CB 1.377 13 residues pruned to eliminate duplicates Z: 27 22.645 2.039 0.514 0.539 0.846 0.577 CB 1.636 27 residues pruned to eliminate duplicates Z: 7 14.412 1.978 0.462 0.846 1.000 0.833 CA 1.512 7 residues pruned to eliminate duplicates Z: 13 23.752 2.206 1.084 0.498 0.917 0.750 CA 1.631 13 residues pruned to eliminate duplicates Z: 12 20.811 2.005 0.933 0.865 0.909 0.727 CB 1.305 12 residues pruned to eliminate duplicates Z: 16 35.513 2.241 0.721 0.845 1.000 0.600 CA 1.769 16 residues pruned to eliminate duplicates Z: 11 14.755 2.116 0.365 0.804 0.900 0.500 CA 1.376 Z: 14 33.540 2.348 0.894 0.869 0.923 0.846 CB 1.656 13 residues pruned to eliminate duplicates Z: 31 42.544 2.210 0.860 0.637 1.000 0.667 CB 1.661 31 residues pruned to eliminate duplicates Z: 24 24.478 2.261 0.573 0.495 0.957 0.783 CB 1.508 24 residues pruned to eliminate duplicates Z: 11 18.674 2.142 0.483 0.854 1.000 0.600 CA 1.373 11 residues pruned to eliminate duplicates Z: 43 55.403 2.294 1.027 0.677 0.905 0.762 CB 1.727 43 residues pruned to eliminate duplicates Z: 18 40.261 2.301 1.050 0.771 0.941 0.588 CB 1.730 18 residues pruned to eliminate duplicates Z: 11 17.622 2.119 0.718 0.558 0.900 0.600 C 1.607 11 residues pruned to eliminate duplicates Z: 91 55.335 2.195 0.870 0.551 0.889 0.700 CB 1.520 77 residues pruned to eliminate duplicates Z: 7 3.944 1.404 -0.031 0.776 1.000 0.667 CA 0.928 7 residues pruned to eliminate duplicates Z: 24 25.188 1.937 0.905 0.580 0.957 0.783 CA 1.379 23 residues pruned to eliminate duplicates Z: 7 8.900 1.898 0.391 0.795 0.833 0.833 CA 1.275 7 residues pruned to eliminate duplicates Z: 9 22.900 2.194 0.683 0.883 1.000 1.000 CB 1.585 9 residues pruned to eliminate duplicates Z: 11 15.853 2.138 0.372 0.826 0.900 0.600 CA 1.432 11 residues pruned to eliminate duplicates Z: 55 41.768 2.206 0.693 0.589 0.926 0.611 CB 1.510 55 residues pruned to eliminate duplicates Z: 23 24.661 1.978 0.706 0.605 0.955 0.682 CA 1.476 24 residues pruned to eliminate duplicates Z: 23 22.256 1.955 0.745 0.574 0.909 0.727 CA 1.424 23 residues pruned to eliminate duplicates Z: 10 16.085 2.129 0.235 0.910 1.000 0.778 CA 1.446 10 residues pruned to eliminate duplicates Z: 18 16.269 2.077 0.741 0.400 0.824 0.647 CB 1.472 18 residues pruned to eliminate duplicates Z: 10 17.635 2.147 0.654 0.595 0.889 0.556 CB 1.700 10 residues pruned to eliminate duplicates Z: 11 15.607 2.141 0.711 0.452 0.900 0.700 CB 1.572 11 residues pruned to eliminate duplicates Z: 49 58.620 2.281 1.087 0.637 0.958 0.667 CB 1.631 46 residues pruned to eliminate duplicates Z: 65 59.483 2.253 1.009 0.561 0.922 0.703 CB 1.679 65 residues pruned to eliminate duplicates Z: 18 26.221 2.211 0.495 0.804 0.882 0.706 CB 1.671 18 residues pruned to eliminate duplicates Z: 16 24.391 2.106 0.442 0.901 1.000 0.933 CB 1.480 16 residues pruned to eliminate duplicates Z: 12 20.881 1.998 0.882 0.870 0.909 0.727 CA 1.344 12 residues pruned to eliminate duplicates Z: 12 14.779 1.970 0.424 0.871 1.000 0.818 CB 1.159 12 residues pruned to eliminate duplicates Z: 96 64.724 2.276 0.849 0.564 0.937 0.695 CB 1.582 96 residues pruned to eliminate duplicates Z: 10 13.846 1.989 0.193 0.887 1.000 1.000 CB 1.402 10 residues pruned to eliminate duplicates Z: 32 30.118 2.114 0.636 0.510 0.935 0.677 CB 1.655 32 residues pruned to eliminate duplicates Z: 9 18.092 2.205 0.336 0.896 1.000 0.875 CB 1.555 9 residues pruned to eliminate duplicates Z: 33 26.390 2.123 0.638 0.475 0.906 0.469 CB 1.518 24 residues pruned to eliminate duplicates Z: 87 57.771 2.191 0.863 0.587 0.930 0.663 CB 1.509 87 residues pruned to eliminate duplicates Z: 40 37.598 2.142 0.919 0.491 0.949 0.641 CB 1.558 40 residues pruned to eliminate duplicates Z: 36 28.779 2.164 0.656 0.478 0.943 0.571 CB 1.472 34 residues pruned to eliminate duplicates Z: 35 52.994 2.295 1.098 0.651 0.971 0.706 CB 1.689 36 residues pruned to eliminate duplicates Z: 79 76.083 2.285 1.139 0.595 0.962 0.769 CB 1.674 77 residues pruned to eliminate duplicates Z: 18 22.294 2.224 0.726 0.487 0.882 0.588 CB 1.619 18 residues pruned to eliminate duplicates Z: 15 31.086 2.255 0.847 0.850 0.929 0.714 CB 1.592 15 residues pruned to eliminate duplicates Z: 95 70.036 2.260 0.987 0.597 0.936 0.745 CB 1.566 94 residues pruned to eliminate duplicates Z: 12 14.780 1.936 0.549 0.817 0.909 0.727 CA 1.241 12 residues pruned to eliminate duplicates Z: 32 46.611 2.224 0.909 0.657 1.000 0.677 CB 1.704 32 residues pruned to eliminate duplicates Z: 10 17.218 2.084 0.474 0.912 1.000 1.000 CB 1.323 10 residues pruned to eliminate duplicates Z: 74 65.481 2.252 1.089 0.533 0.945 0.685 CB 1.668 74 residues pruned to eliminate duplicates Z: 28 23.425 1.906 0.797 0.508 0.926 0.704 CA 1.410 50 residues pruned to eliminate duplicates Z: 11 13.541 1.964 0.298 0.864 0.900 0.900 CB 1.368 11 residues pruned to eliminate duplicates Z: 10 20.103 2.129 1.083 0.639 0.778 0.667 CB 1.705 10 residues pruned to eliminate duplicates Z: 10 14.988 2.019 0.221 0.921 1.000 1.000 CB 1.427 10 residues pruned to eliminate duplicates Z: 30 29.663 2.183 0.566 0.506 0.931 0.621 CB 1.720 30 residues pruned to eliminate duplicates Z: 13 18.973 2.194 0.765 0.570 0.833 0.750 CB 1.586 13 residues pruned to eliminate duplicates Z: 15 32.325 2.275 0.724 0.883 1.000 0.643 CB 1.593 15 residues pruned to eliminate duplicates Z: 19 23.071 2.175 1.015 0.359 0.833 0.611 CB 1.733 19 residues pruned to eliminate duplicates Z: 80 61.784 2.259 0.826 0.612 0.937 0.722 CB 1.618 80 residues pruned to eliminate duplicates Z: 56 51.910 2.249 1.066 0.526 0.909 0.636 CB 1.616 56 residues pruned to eliminate duplicates Z: 13 18.370 1.863 0.603 0.843 0.917 0.750 CB 1.442 13 residues pruned to eliminate duplicates Z: 48 54.752 2.278 1.005 0.599 0.936 0.702 CB 1.701 48 residues pruned to eliminate duplicates Z: 6 5.564 1.751 0.144 0.662 1.000 0.600 CB 1.069 6 residues pruned to eliminate duplicates Z: 10 14.032 2.169 0.224 0.847 0.889 0.778 CA 1.472 10 residues pruned to eliminate duplicates Z: 134 76.992 2.262 0.783 0.603 0.940 0.684 CB 1.597 134 residues pruned to eliminate duplicates Z: 58 56.275 2.307 0.965 0.536 0.965 0.632 CB 1.644 58 residues pruned to eliminate duplicates Z: 131 72.279 2.203 0.841 0.587 0.931 0.700 CB 1.545 131 residues pruned to eliminate duplicates Z: 19 28.846 2.111 0.678 0.801 0.944 0.778 CA 1.563 19 residues pruned to eliminate duplicates Z: 21 23.239 2.172 0.425 0.526 0.900 0.650 CB 1.819 21 residues pruned to eliminate duplicates Z: 17 31.857 2.104 0.693 0.845 1.000 0.562 CA 1.662 17 residues pruned to eliminate duplicates Z: 47 33.918 2.154 0.667 0.580 0.913 0.630 CB 1.412 47 residues pruned to eliminate duplicates Z: 34 23.072 1.946 0.526 0.489 0.939 0.576 CB 1.456 34 residues pruned to eliminate duplicates Z: 12 23.354 2.042 1.259 0.642 0.818 0.727 CB 1.634 Z: 11 18.147 1.994 0.603 0.831 0.900 0.500 CA 1.498 11 residues pruned to eliminate duplicates Z: 28 31.007 2.225 1.029 0.494 0.852 0.556 CB 1.560 28 residues pruned to eliminate duplicates Z: 17 26.516 2.005 1.039 0.588 0.938 0.625 CA 1.590 12 residues pruned to eliminate duplicates Z: 37 38.158 2.238 0.953 0.500 0.917 0.611 CB 1.587 37 residues pruned to eliminate duplicates Z: 46 53.652 2.349 0.952 0.635 0.911 0.689 CB 1.687 46 residues pruned to eliminate duplicates Z: 14 27.396 2.182 0.540 0.875 1.000 0.769 CB 1.645 14 residues pruned to eliminate duplicates Z: 15 34.642 2.253 0.842 0.872 1.000 0.786 CB 1.626 15 residues pruned to eliminate duplicates Z: 11 17.308 2.096 0.677 0.896 0.900 0.800 CB 1.239 11 residues pruned to eliminate duplicates Z: 99 63.880 2.253 0.846 0.572 0.908 0.735 CB 1.594 99 residues pruned to eliminate duplicates Z: 17 29.868 2.244 0.671 0.781 0.938 0.750 CB 1.658 17 residues pruned to eliminate duplicates Z: 77 54.546 2.229 0.862 0.589 0.908 0.711 CB 1.524 77 residues pruned to eliminate duplicates Z: 10 20.350 2.100 1.027 0.522 1.000 0.778 CB 1.560 10 residues pruned to eliminate duplicates Z: 10 12.326 2.028 0.196 0.881 1.000 0.889 CB 1.226 10 residues pruned to eliminate duplicates Z: 14 36.576 2.351 0.839 0.888 1.000 0.846 CB 1.690 14 residues pruned to eliminate duplicates Z: 16 29.248 2.191 0.584 0.877 1.000 0.933 CB 1.579 16 residues pruned to eliminate duplicates Z: 39 31.177 2.136 0.807 0.448 0.895 0.605 CB 1.545 39 residues pruned to eliminate duplicates Z: 89 58.295 2.209 0.749 0.576 0.955 0.670 CB 1.566 89 residues pruned to eliminate duplicates Z: 37 33.012 2.151 0.843 0.523 0.889 0.583 CB 1.526 37 residues pruned to eliminate duplicates Z: 10 15.221 2.106 0.362 0.878 0.889 0.667 CA 1.444 10 residues pruned to eliminate duplicates Z: 18 24.538 1.998 1.001 0.637 0.882 0.647 CB 1.484 17 residues pruned to eliminate duplicates Z: 17 33.490 2.294 0.769 0.823 0.938 0.812 CA 1.663 17 residues pruned to eliminate duplicates Z: 18 20.743 2.119 0.294 0.779 0.882 0.588 CA 1.625 18 residues pruned to eliminate duplicates Z: 40 49.596 2.270 1.077 0.613 0.949 0.692 CB 1.594 39 residues pruned to eliminate duplicates Z: 48 39.689 2.216 0.840 0.513 0.915 0.681 CB 1.532 48 residues pruned to eliminate duplicates Z: 16 34.411 2.226 0.820 0.850 1.000 0.733 CA 1.624 16 residues pruned to eliminate duplicates Z: 11 15.297 2.096 0.735 0.884 0.800 0.600 CB 1.201 11 residues pruned to eliminate duplicates Z: 11 17.696 2.012 0.574 0.791 0.900 0.900 CA 1.521 11 residues pruned to eliminate duplicates Z: 76 55.692 2.226 0.887 0.540 0.933 0.720 CB 1.578 76 residues pruned to eliminate duplicates Z: 56 45.016 2.241 0.956 0.530 0.927 0.727 CB 1.450 56 residues pruned to eliminate duplicates Z: 6 10.407 1.787 0.790 0.707 1.000 1.000 CB 1.206 6 residues pruned to eliminate duplicates Z: 11 9.356 1.863 0.529 0.467 0.800 0.500 CB 1.343 11 residues pruned to eliminate duplicates Z: 93 65.565 2.266 0.874 0.589 0.935 0.717 CB 1.582 100 residues pruned to eliminate duplicates Z: 32 33.508 2.117 0.733 0.547 0.968 0.645 CB 1.619 32 residues pruned to eliminate duplicates Z: 44 46.705 2.263 0.923 0.558 0.907 0.698 CB 1.706 44 residues pruned to eliminate duplicates Z: 36 26.493 2.171 0.466 0.520 0.943 0.543 CB 1.462 36 residues pruned to eliminate duplicates Z: 11 16.670 1.984 0.332 0.855 1.000 0.900 CB 1.472 11 residues pruned to eliminate duplicates Z: 42 32.674 2.122 0.652 0.614 0.878 0.683 CB 1.487 42 residues pruned to eliminate duplicates Z: 48 42.768 2.240 1.003 0.500 0.872 0.617 CB 1.594 48 residues pruned to eliminate duplicates Z: 37 19.809 1.981 0.433 0.434 0.944 0.444 CB 1.319 31 residues pruned to eliminate duplicates Z: 14 12.525 1.916 1.046 0.327 0.846 0.538 CB 1.267 14 residues pruned to eliminate duplicates Z: 59 51.003 2.235 1.033 0.493 0.914 0.690 CB 1.624 59 residues pruned to eliminate duplicates Z: 14 8.021 1.750 0.581 0.389 0.692 0.462 CB 1.307 14 residues pruned to eliminate duplicates Z: 18 27.096 2.191 1.027 0.524 0.882 0.706 CB 1.637 18 residues pruned to eliminate duplicates Z: 37 39.617 2.255 0.988 0.526 0.889 0.694 CB 1.616 37 residues pruned to eliminate duplicates Z: 47 59.645 2.322 1.054 0.613 0.935 0.674 CA 1.772 47 residues pruned to eliminate duplicates Z: 20 26.867 2.223 0.849 0.459 0.947 0.579 CB 1.650 20 residues pruned to eliminate duplicates Z: 18 9.696 1.779 0.345 0.543 0.882 0.529 CB 1.068 19 residues pruned to eliminate duplicates Z: 22 20.885 2.200 0.333 0.534 0.857 0.714 CB 1.754 22 residues pruned to eliminate duplicates Z: 22 17.449 2.177 0.597 0.453 0.905 0.571 CB 1.271 22 residues pruned to eliminate duplicates Z: 32 51.307 2.302 0.987 0.666 1.000 0.710 CB 1.727 32 residues pruned to eliminate duplicates Z: 53 49.122 2.302 0.943 0.521 0.942 0.731 CB 1.582 53 residues pruned to eliminate duplicates Z: 25 20.661 1.882 0.778 0.582 0.958 0.708 CB 1.215 Z: 15 31.282 2.235 0.686 0.872 1.000 0.714 CA 1.616 15 residues pruned to eliminate duplicates Z: 80 66.086 2.270 0.973 0.581 0.924 0.722 CB 1.662 80 residues pruned to eliminate duplicates Z: 20 24.129 2.136 0.696 0.473 0.947 0.579 CB 1.657 20 residues pruned to eliminate duplicates Z: 60 48.078 2.192 0.788 0.546 0.949 0.525 CB 1.610 93 residues pruned to eliminate duplicates Z: 32 18.636 1.828 0.415 0.482 0.968 0.548 CB 1.362 31 residues pruned to eliminate duplicates Z: 45 55.280 2.341 1.095 0.604 0.886 0.659 CB 1.737 45 residues pruned to eliminate duplicates Z: 10 14.041 1.919 0.629 0.674 1.000 0.667 CB 1.275 11 residues pruned to eliminate duplicates Z: 24 20.977 1.933 0.684 0.595 0.913 0.739 CB 1.344 24 residues pruned to eliminate duplicates Z: 33 32.167 2.041 0.808 0.540 0.906 0.625 CB 1.635 Z: 10 18.558 2.175 0.534 0.834 0.889 0.444 CB 1.564 10 residues pruned to eliminate duplicates Z: 11 20.476 1.966 0.637 0.900 1.000 0.900 CA 1.437 11 residues pruned to eliminate duplicates Z: 44 38.058 2.238 0.728 0.602 0.930 0.605 CB 1.464 44 residues pruned to eliminate duplicates Z: 10 18.856 2.144 0.399 0.873 1.000 1.000 CB 1.527 10 residues pruned to eliminate duplicates Z: 15 11.938 1.936 0.370 0.532 0.786 0.571 CA 1.484 15 residues pruned to eliminate duplicates Z: 14 14.217 2.050 0.559 0.458 0.846 0.692 CB 1.521 14 residues pruned to eliminate duplicates Z: 39 45.597 2.234 0.845 0.670 0.947 0.658 CB 1.618 39 residues pruned to eliminate duplicates Z: 46 56.850 2.363 1.069 0.623 0.911 0.667 CB 1.695 46 residues pruned to eliminate duplicates Z: 7 13.743 1.875 0.579 0.854 1.000 0.833 CA 1.399 7 residues pruned to eliminate duplicates Z: 24 24.995 1.922 0.786 0.624 1.000 0.696 CB 1.351 24 residues pruned to eliminate duplicates Z: 18 40.155 2.305 0.841 0.865 1.000 0.765 CA 1.681 18 residues pruned to eliminate duplicates Z: 19 20.984 2.121 0.390 0.768 0.889 0.778 CA 1.488 19 residues pruned to eliminate duplicates Z: 80 68.620 2.267 0.967 0.570 0.962 0.722 CB 1.682 80 residues pruned to eliminate duplicates Z: 14 36.782 2.347 0.755 0.866 1.000 0.923 CA 1.813 14 residues pruned to eliminate duplicates Z: 85 53.446 2.202 0.815 0.582 0.917 0.655 CB 1.470 85 residues pruned to eliminate duplicates Z: 78 53.321 2.168 0.852 0.526 0.974 0.688 CB 1.515 78 residues pruned to eliminate duplicates Z: 86 64.864 2.270 0.936 0.561 0.906 0.635 CB 1.665 86 residues pruned to eliminate duplicates Z: 11 19.344 2.128 0.793 0.856 0.900 0.700 CA 1.314 11 residues pruned to eliminate duplicates Z: 37 40.358 2.216 0.841 0.539 0.972 0.639 CB 1.633 37 residues pruned to eliminate duplicates Z: 24 21.557 1.930 0.811 0.581 0.870 0.609 CB 1.368 24 residues pruned to eliminate duplicates Z: 16 22.134 1.994 0.612 0.592 1.000 0.733 CB 1.628 16 residues pruned to eliminate duplicates Z: 12 19.612 2.267 0.797 0.434 0.909 0.636 CB 1.710 12 residues pruned to eliminate duplicates Z: 98 62.378 2.232 0.843 0.570 0.918 0.670 CB 1.568 98 residues pruned to eliminate duplicates Z: 44 53.066 2.282 0.929 0.642 0.953 0.767 CB 1.688 44 residues pruned to eliminate duplicates Z: 33 31.161 2.086 0.581 0.543 0.969 0.656 CB 1.653 33 residues pruned to eliminate duplicates Z: 34 29.758 2.050 0.734 0.498 0.939 0.576 CB 1.553 34 residues pruned to eliminate duplicates Z: 56 40.352 2.199 0.925 0.516 0.909 0.655 CB 1.391 56 residues pruned to eliminate duplicates Z: 97 61.948 2.229 0.893 0.560 0.927 0.615 CB 1.524 97 residues pruned to eliminate duplicates Z: 21 21.785 2.000 0.727 0.631 0.950 0.700 CB 1.314 21 residues pruned to eliminate duplicates Z: 22 24.274 1.956 0.803 0.637 0.905 0.810 CA 1.460 18 residues pruned to eliminate duplicates Z: 34 24.965 2.078 0.551 0.487 0.909 0.545 CB 1.503 34 residues pruned to eliminate duplicates Z: 11 5.264 1.414 0.294 0.560 0.900 0.600 CB 0.953 11 residues pruned to eliminate duplicates Z: 44 40.828 2.213 0.906 0.454 0.930 0.721 CB 1.663 44 residues pruned to eliminate duplicates Z: 19 29.513 2.166 0.679 0.781 0.944 0.722 CB 1.581 19 residues pruned to eliminate duplicates Z: 89 57.469 2.196 0.875 0.578 0.909 0.670 CB 1.518 89 residues pruned to eliminate duplicates Z: 34 52.799 2.310 1.017 0.647 0.970 0.576 CB 1.773 34 residues pruned to eliminate duplicates Z: 20 22.929 1.958 0.797 0.635 0.947 0.789 CA 1.390 20 residues pruned to eliminate duplicates Z: 81 61.510 2.231 0.915 0.559 0.938 0.675 CB 1.621 81 residues pruned to eliminate duplicates Z: 12 15.664 1.987 0.461 0.852 0.818 0.818 CB 1.471 12 residues pruned to eliminate duplicates Z: 14 21.673 2.170 0.482 0.902 1.000 0.846 CA 1.333 14 residues pruned to eliminate duplicates Z: 58 43.314 2.203 0.867 0.546 0.912 0.667 CB 1.462 58 residues pruned to eliminate duplicates Z: 89 59.560 2.204 0.861 0.580 0.932 0.716 CB 1.538 89 residues pruned to eliminate duplicates Z: 118 79.317 2.291 0.931 0.593 0.923 0.709 CB 1.643 118 residues pruned to eliminate duplicates Z: 6 8.175 1.659 0.777 0.691 0.800 0.600 N 1.302 6 residues pruned to eliminate duplicates Z: 39 34.566 2.160 0.685 0.620 0.868 0.684 CB 1.585 39 residues pruned to eliminate duplicates Z: 130 76.644 2.274 0.832 0.587 0.915 0.667 CB 1.630 130 residues pruned to eliminate duplicates Z: 11 22.458 2.047 0.658 0.778 1.000 0.500 CA 1.637 11 residues pruned to eliminate duplicates Z: 24 23.522 1.902 0.765 0.635 1.000 0.826 CB 1.287 24 residues pruned to eliminate duplicates Z: 81 62.553 2.256 0.899 0.584 0.925 0.637 CB 1.628 81 residues pruned to eliminate duplicates Z: 96 59.698 2.223 0.798 0.551 0.937 0.642 CB 1.556 96 residues pruned to eliminate duplicates Z: 89 60.761 2.220 0.908 0.575 0.920 0.705 CB 1.545 89 residues pruned to eliminate duplicates Z: 84 58.398 2.240 0.810 0.595 0.928 0.651 CB 1.557 84 residues pruned to eliminate duplicates Z: 17 36.669 2.351 0.808 0.772 0.938 0.750 CB 1.808 17 residues pruned to eliminate duplicates Z: 22 31.348 2.173 0.968 0.621 0.905 0.762 CB 1.577 22 residues pruned to eliminate duplicates Z: 14 35.699 2.333 0.943 0.890 1.000 0.769 CB 1.570 14 residues pruned to eliminate duplicates Z: 54 44.204 2.209 0.946 0.497 0.943 0.660 CB 1.503 54 residues pruned to eliminate duplicates Z: 83 68.256 2.243 0.958 0.579 0.951 0.732 CB 1.673 83 residues pruned to eliminate duplicates Z: 13 16.640 1.954 0.796 0.491 0.917 0.833 CA 1.507 13 residues pruned to eliminate duplicates Z: 61 39.769 2.126 0.737 0.531 0.917 0.650 CB 1.471 61 residues pruned to eliminate duplicates Z: 24 20.333 1.907 0.681 0.576 0.957 0.696 CB 1.286 24 residues pruned to eliminate duplicates Z: 54 48.470 2.227 0.996 0.536 0.887 0.642 CB 1.630 54 residues pruned to eliminate duplicates Z: 86 55.821 2.180 0.904 0.553 0.906 0.588 CB 1.530 86 residues pruned to eliminate duplicates Z: 24 23.711 1.936 0.710 0.589 1.000 0.696 CB 1.371 24 residues pruned to eliminate duplicates Z: 33 59.955 2.357 1.143 0.689 1.000 0.562 CB 1.766 33 residues pruned to eliminate duplicates Z: 29 19.221 2.076 0.549 0.542 0.857 0.536 CB 1.264 29 residues pruned to eliminate duplicates Z: 24 14.029 1.791 0.725 0.518 0.826 0.739 CB 1.126 24 residues pruned to eliminate duplicates Z: 18 35.389 2.229 0.802 0.756 0.941 0.647 CB 1.807 18 residues pruned to eliminate duplicates Z: 19 42.415 2.246 1.099 0.793 0.944 0.778 CA 1.737 19 residues pruned to eliminate duplicates Z: 15 35.218 2.242 0.889 0.904 1.000 1.000 CB 1.582 15 residues pruned to eliminate duplicates Z: 44 55.388 2.244 1.037 0.656 0.953 0.744 CB 1.677 44 residues pruned to eliminate duplicates Z: 17 34.714 2.293 0.728 0.831 1.000 0.625 CA 1.646 17 residues pruned to eliminate duplicates Z: 17 34.679 2.236 0.886 0.833 0.938 0.688 CA 1.645 17 residues pruned to eliminate duplicates Z: 27 26.952 2.075 0.901 0.523 0.885 0.692 CB 1.481 27 residues pruned to eliminate duplicates Z: 26 32.865 2.216 0.948 0.536 0.880 0.680 CA 1.669 26 residues pruned to eliminate duplicates Z: 19 23.054 2.031 0.614 0.530 1.000 0.722 CB 1.610 19 residues pruned to eliminate duplicates Z: 7 11.255 1.702 0.614 0.839 1.000 0.833 CB 1.249 7 residues pruned to eliminate duplicates Z: 88 50.112 2.170 0.768 0.542 0.908 0.609 CB 1.480 88 residues pruned to eliminate duplicates Z: 81 68.871 2.281 1.001 0.590 0.925 0.725 CB 1.674 81 residues pruned to eliminate duplicates Z: 16 33.456 2.280 0.721 0.865 0.933 0.800 CA 1.729 16 residues pruned to eliminate duplicates Z: 11 23.238 1.933 0.715 0.913 1.000 0.900 CB 1.569 11 residues pruned to eliminate duplicates Z: 13 22.178 2.033 1.211 0.639 0.833 0.667 CA 1.500 13 residues pruned to eliminate duplicates Z: 9 14.417 1.867 0.788 0.705 1.000 0.875 CB 1.268 9 residues pruned to eliminate duplicates Z: 37 39.326 2.212 0.938 0.537 0.944 0.694 CB 1.561 37 residues pruned to eliminate duplicates Z: 10 20.726 2.055 0.886 0.550 1.000 0.778 CB 1.697 10 residues pruned to eliminate duplicates Z: 6 3.361 1.724 -0.198 0.635 0.800 0.600 N 1.196 6 residues pruned to eliminate duplicates Z: 21 25.499 2.146 0.470 0.611 0.950 0.750 CA 1.712 26 residues pruned to eliminate duplicates Z: 43 19.538 1.927 0.506 0.461 0.905 0.548 CB 1.195 43 residues pruned to eliminate duplicates Z: 11 16.667 1.881 0.411 0.893 1.000 0.600 CA 1.425 11 residues pruned to eliminate duplicates Z: 36 20.356 1.985 0.495 0.523 0.886 0.486 CB 1.279 36 residues pruned to eliminate duplicates Z: 13 17.849 2.141 0.653 0.636 0.917 0.750 CB 1.398 13 residues pruned to eliminate duplicates Z: 23 48.138 2.344 1.025 0.694 1.000 0.727 CB 1.811 23 residues pruned to eliminate duplicates Z: 17 45.837 2.366 0.928 0.844 1.000 0.812 CB 1.870 17 residues pruned to eliminate duplicates Z: 25 27.126 2.180 0.889 0.422 0.875 0.458 CB 1.667 25 residues pruned to eliminate duplicates Z: 85 64.297 2.242 0.923 0.580 0.952 0.690 CB 1.581 85 residues pruned to eliminate duplicates Z: 68 57.102 2.260 0.959 0.571 0.955 0.761 CB 1.540 68 residues pruned to eliminate duplicates Z: 9 14.828 2.083 0.472 0.619 0.875 0.625 C 1.747 9 residues pruned to eliminate duplicates Z: 16 38.840 2.207 1.089 0.837 0.933 0.400 CA 1.744 16 residues pruned to eliminate duplicates Z: 12 14.793 1.829 0.412 0.867 0.909 0.818 CB 1.390 12 residues pruned to eliminate duplicates Z: 20 20.521 2.128 0.879 0.385 0.842 0.474 CB 1.581 20 residues pruned to eliminate duplicates Z: 28 49.817 2.322 0.951 0.690 1.000 0.741 CB 1.778 28 residues pruned to eliminate duplicates Z: 80 70.297 2.290 1.015 0.586 0.937 0.646 CB 1.685 80 residues pruned to eliminate duplicates Z: 17 26.802 2.169 0.561 0.785 0.938 0.625 CA 1.643 17 residues pruned to eliminate duplicates Z: 36 26.699 2.170 0.496 0.506 0.943 0.543 CB 1.466 36 residues pruned to eliminate duplicates Z: 6 3.157 2.099 -0.097 0.174 0.800 0.200 CB 1.382 5 residues pruned to eliminate duplicates Z: 6 9.834 1.982 0.106 0.789 1.000 0.800 CA 1.557 6 residues pruned to eliminate duplicates Z: 48 54.016 2.279 1.027 0.601 0.915 0.638 CA 1.693 48 residues pruned to eliminate duplicates Z: 39 54.290 2.345 0.975 0.657 0.947 0.632 CB 1.735 39 residues pruned to eliminate duplicates Z: 15 21.351 2.198 0.705 0.460 0.929 0.571 CB 1.709 15 residues pruned to eliminate duplicates Z: 7 10.524 1.763 0.387 0.823 1.000 0.667 CA 1.328 7 residues pruned to eliminate duplicates Z: 24 25.024 1.937 0.960 0.582 0.957 0.739 CB 1.327 24 residues pruned to eliminate duplicates Z: 19 43.324 2.387 0.962 0.706 1.000 0.778 CA 1.807 19 residues pruned to eliminate duplicates Z: 7 4.756 1.416 0.812 0.647 0.667 0.500 CB 0.990 7 residues pruned to eliminate duplicates Z: 51 33.530 1.994 0.635 0.570 0.920 0.640 CB 1.477 51 residues pruned to eliminate duplicates Z: 6 3.380 1.595 0.168 0.370 0.800 0.400 C 1.165 6 residues pruned to eliminate duplicates Z: 6 9.978 1.891 0.531 0.777 1.000 0.600 CA 1.208 6 residues pruned to eliminate duplicates Z: 47 39.219 2.174 0.943 0.507 0.935 0.739 CB 1.453 47 residues pruned to eliminate duplicates Z: 23 25.389 1.963 1.044 0.551 0.909 0.727 CA 1.412 23 residues pruned to eliminate duplicates Z: 12 23.338 2.042 1.308 0.685 0.818 0.818 CB 1.539 12 residues pruned to eliminate duplicates Z: 24 19.670 2.144 0.490 0.452 0.870 0.652 CB 1.550 24 residues pruned to eliminate duplicates Z: 24 17.393 1.970 0.793 0.360 0.783 0.522 CA 1.526 24 residues pruned to eliminate duplicates Z: 41 52.360 2.239 0.957 0.684 0.950 0.775 CB 1.680 41 residues pruned to eliminate duplicates Z: 84 58.307 2.234 0.804 0.582 0.952 0.675 CB 1.543 84 residues pruned to eliminate duplicates Z: 85 58.726 2.209 0.811 0.623 0.929 0.738 CB 1.536 85 residues pruned to eliminate duplicates Z: 20 29.331 2.190 0.914 0.557 0.947 0.684 CB 1.603 20 residues pruned to eliminate duplicates Z: 36 37.393 2.269 0.729 0.578 0.943 0.657 CB 1.585 36 residues pruned to eliminate duplicates Z: 10 2.465 1.456 0.513 0.163 0.667 0.444 CA 0.844 10 residues pruned to eliminate duplicates Z: 23 10.563 1.859 0.444 0.428 0.818 0.409 CB 1.105 23 residues pruned to eliminate duplicates Z: 11 6.816 1.677 0.676 0.581 0.900 0.700 CB 0.788 9 residues pruned to eliminate duplicates Z: 17 23.132 2.097 0.537 0.776 0.938 0.438 CB 1.500 17 residues pruned to eliminate duplicates Z: 47 50.964 2.219 1.086 0.566 0.957 0.761 CB 1.592 47 residues pruned to eliminate duplicates Z: 12 12.905 1.824 0.384 0.852 0.818 0.636 CB 1.393 12 residues pruned to eliminate duplicates Z: 19 40.351 2.167 0.866 0.823 1.000 0.667 CB 1.778 19 residues pruned to eliminate duplicates Z: 44 55.424 2.272 0.987 0.666 0.953 0.767 CB 1.684 44 residues pruned to eliminate duplicates Z: 7 5.926 1.507 0.442 0.552 1.000 0.500 CB 1.058 Z: 26 21.325 2.094 0.500 0.493 0.880 0.560 CB 1.554 26 residues pruned to eliminate duplicates Z: 11 8.738 1.591 0.735 0.455 0.900 0.600 CB 1.164 13 residues pruned to eliminate duplicates Z: 10 26.226 2.365 0.823 0.643 1.000 0.889 CB 1.773 12 residues pruned to eliminate duplicates Z: 36 35.859 2.163 0.854 0.518 0.943 0.629 CB 1.575 36 residues pruned to eliminate duplicates Z: 15 24.771 2.146 0.668 0.876 0.929 0.857 CB 1.447 15 residues pruned to eliminate duplicates Z: 8 6.722 1.818 0.395 0.440 0.714 0.286 N 1.492 8 residues pruned to eliminate duplicates 6 1.809 1.442 0.111 0.504 1.000 0.800 CB 0.503 ? Z: 6 4.179 1.775 0.559 0.598 0.800 0.600 CB 0.769 6 residues pruned to eliminate duplicates Z: 21 28.658 1.991 1.124 0.637 0.900 0.800 CA 1.481 21 residues pruned to eliminate duplicates Z: 74 55.967 2.205 0.787 0.609 0.959 0.644 CB 1.563 74 residues pruned to eliminate duplicates Z: 33 23.381 2.012 0.513 0.569 0.938 0.719 CB 1.355 33 residues pruned to eliminate duplicates Z: 17 16.926 2.148 0.365 0.674 0.812 0.688 CB 1.514 17 residues pruned to eliminate duplicates Z: 7 2.164 1.528 0.151 0.439 0.667 0.500 CB 0.802 Z: 23 21.627 1.956 0.718 0.560 0.955 0.682 CA 1.356 23 residues pruned to eliminate duplicates Z: 10 9.810 1.789 0.474 0.515 1.000 0.667 CB 1.221 10 residues pruned to eliminate duplicates Z: 39 40.231 2.173 1.055 0.553 0.842 0.474 CB 1.647 39 residues pruned to eliminate duplicates Z: 37 39.620 2.222 0.949 0.524 0.944 0.667 CB 1.577 37 residues pruned to eliminate duplicates Z: 127 77.113 2.285 0.870 0.577 0.921 0.571 CB 1.622 127 residues pruned to eliminate duplicates Z: 23 23.055 1.981 0.778 0.566 0.955 0.727 CB 1.371 24 residues pruned to eliminate duplicates Z: 22 22.053 2.265 0.437 0.544 0.905 0.619 CB 1.566 22 residues pruned to eliminate duplicates Z: 7 12.570 1.765 1.107 0.845 1.000 0.667 CA 1.026 7 residues pruned to eliminate duplicates Z: 23 25.277 1.973 0.888 0.571 0.955 0.773 CA 1.416 23 residues pruned to eliminate duplicates Z: 30 27.233 2.092 0.689 0.546 0.931 0.517 CB 1.470 30 residues pruned to eliminate duplicates Z: 97 80.759 2.304 1.078 0.602 0.958 0.688 CB 1.630 97 residues pruned to eliminate duplicates Z: 19 37.973 2.277 0.944 0.768 0.889 0.667 CA 1.795 19 residues pruned to eliminate duplicates Z: 14 15.554 1.910 0.654 0.659 0.846 0.615 CA 1.392 14 residues pruned to eliminate duplicates Z: 21 27.082 1.919 1.026 0.644 0.950 0.750 CA 1.434 21 residues pruned to eliminate duplicates Z: 16 15.327 2.030 0.837 0.437 0.933 0.533 CB 1.214 16 residues pruned to eliminate duplicates Z: 19 26.824 2.185 0.984 0.449 0.944 0.667 CB 1.626 19 residues pruned to eliminate duplicates Z: 50 46.633 2.251 0.891 0.578 0.878 0.694 CB 1.654 50 residues pruned to eliminate duplicates Z: 13 7.097 1.552 0.345 0.636 0.750 0.500 CB 1.152 8 residues pruned to eliminate duplicates Z: 35 40.929 2.186 1.077 0.545 0.941 0.765 CB 1.573 35 residues pruned to eliminate duplicates Z: 84 63.950 2.241 0.875 0.611 0.940 0.675 CB 1.599 84 residues pruned to eliminate duplicates Z: 48 50.948 2.264 0.987 0.560 0.936 0.745 CB 1.665 48 residues pruned to eliminate duplicates Z: 23 23.849 1.902 0.820 0.589 0.955 0.727 CA 1.413 23 residues pruned to eliminate duplicates Z: 117 87.026 2.325 0.971 0.598 0.957 0.716 CB 1.677 117 residues pruned to eliminate duplicates Z: 48 57.517 2.224 1.268 0.574 1.000 0.787 CB 1.549 48 residues pruned to eliminate duplicates Z: 57 47.556 2.221 0.786 0.630 0.929 0.643 CB 1.528 57 residues pruned to eliminate duplicates Z: 28 33.426 2.170 0.924 0.530 0.963 0.741 CB 1.553 28 residues pruned to eliminate duplicates Z: 14 10.377 1.800 0.463 0.593 0.846 0.692 CB 1.181 14 residues pruned to eliminate duplicates Z: 45 60.305 2.328 1.060 0.683 0.955 0.659 CB 1.679 45 residues pruned to eliminate duplicates Z: 33 18.702 1.953 0.394 0.489 0.938 0.500 CB 1.310 33 residues pruned to eliminate duplicates Z: 52 44.172 2.260 0.700 0.600 0.941 0.706 CB 1.556 52 residues pruned to eliminate duplicates Z: 8 18.010 2.141 0.944 0.514 1.000 1.000 CB 1.614 8 residues pruned to eliminate duplicates Z: 75 45.698 2.127 0.922 0.508 0.905 0.649 CB 1.424 75 residues pruned to eliminate duplicates Z: 12 21.283 2.150 0.760 0.580 1.000 0.727 CB 1.570 12 residues pruned to eliminate duplicates Z: 10 20.367 2.292 0.576 0.766 1.000 0.667 CB 1.484 10 residues pruned to eliminate duplicates Z: 17 24.479 2.031 0.788 0.628 0.938 0.625 CB 1.593 17 residues pruned to eliminate duplicates Z: 61 44.536 2.180 0.850 0.512 0.933 0.667 CB 1.509 61 residues pruned to eliminate duplicates Z: 35 20.267 1.980 0.486 0.497 0.853 0.559 CB 1.390 35 residues pruned to eliminate duplicates Z: 18 33.318 2.207 0.659 0.765 1.000 0.706 CB 1.744 18 residues pruned to eliminate duplicates Z: 7 4.265 1.793 1.007 0.504 0.667 0.500 N 0.723 Z: 42 36.391 2.119 0.777 0.517 0.902 0.732 CB 1.645 42 residues pruned to eliminate duplicates Z: 17 21.170 2.067 0.617 0.662 1.000 0.562 CB 1.362 17 residues pruned to eliminate duplicates Z: 103 76.994 2.290 0.991 0.580 0.951 0.716 CB 1.627 103 residues pruned to eliminate duplicates Z: 22 31.909 2.011 1.145 0.634 0.952 0.810 CB 1.495 22 residues pruned to eliminate duplicates Z: 17 48.606 2.410 0.981 0.848 1.000 0.812 CA 1.889 17 residues pruned to eliminate duplicates Z: 51 44.288 2.278 0.790 0.627 0.900 0.720 CB 1.514 51 residues pruned to eliminate duplicates Z: 12 10.929 2.104 0.584 0.455 0.727 0.636 CA 1.424 12 residues pruned to eliminate duplicates Z: 44 35.604 2.108 0.654 0.628 0.930 0.674 CB 1.484 44 residues pruned to eliminate duplicates Z: 43 33.828 2.120 0.666 0.624 0.905 0.643 CB 1.453 43 residues pruned to eliminate duplicates Z: 6 4.982 1.648 0.156 0.859 1.000 1.000 CA 0.861 6 residues pruned to eliminate duplicates Z: 81 59.256 2.234 0.865 0.570 0.950 0.663 CB 1.563 81 residues pruned to eliminate duplicates Z: 23 18.983 1.922 0.688 0.582 0.818 0.455 CB 1.410 16 residues pruned to eliminate duplicates Z: 13 7.707 2.037 0.469 0.390 0.667 0.583 CB 1.253 13 residues pruned to eliminate duplicates Z: 10 8.770 1.831 0.514 0.614 1.000 0.889 CB 0.947 10 residues pruned to eliminate duplicates Z: 9 11.638 1.920 0.734 0.606 0.875 0.875 CB 1.278 9 residues pruned to eliminate duplicates Z: 8 4.541 1.720 0.149 0.832 1.000 1.000 CB 0.651 Z: 9 7.723 1.625 0.806 0.771 0.625 0.250 CB 1.171 9 residues pruned to eliminate duplicates Z: 21 19.208 2.036 0.640 0.548 0.850 0.500 CB 1.444 21 residues pruned to eliminate duplicates 6 0.699 1.517 0.942 0.280 0.600 0.200 CB 0.227 ? Z: 8 3.354 1.597 0.364 0.285 0.714 0.429 CA 1.038 8 residues pruned to eliminate duplicates Z: 7 16.071 1.972 1.004 0.527 1.000 0.833 CA 1.617 Z: 58 65.155 2.358 1.061 0.576 0.947 0.719 CB 1.742 58 residues pruned to eliminate duplicates Z: 11 10.720 2.004 0.163 0.747 0.900 0.700 CB 1.297 11 residues pruned to eliminate duplicates Z: 67 62.378 2.288 1.027 0.561 0.924 0.652 CB 1.688 67 residues pruned to eliminate duplicates Z: 30 29.744 2.305 0.511 0.471 1.000 0.586 CB 1.633 30 residues pruned to eliminate duplicates Z: 39 52.465 2.298 1.028 0.614 0.947 0.632 CB 1.730 39 residues pruned to eliminate duplicates Z: 80 59.885 2.232 0.824 0.558 0.937 0.722 CB 1.670 80 residues pruned to eliminate duplicates Z: 24 23.329 2.172 0.322 0.544 0.957 0.522 CB 1.696 25 residues pruned to eliminate duplicates 6 1.156 1.190 0.353 0.300 0.800 0.800 C 0.502 ? Z: 82 64.169 2.271 0.917 0.591 0.951 0.765 CB 1.580 82 residues pruned to eliminate duplicates Z: 24 25.730 1.932 1.046 0.593 0.913 0.739 CB 1.359 24 residues pruned to eliminate duplicates Z: 29 38.188 2.250 0.891 0.505 0.964 0.643 CA 1.751 29 residues pruned to eliminate duplicates Z: 10 10.635 2.082 0.659 0.495 0.778 0.444 CB 1.326 10 residues pruned to eliminate duplicates Z: 74 60.038 2.220 0.980 0.580 0.959 0.712 CB 1.544 74 residues pruned to eliminate duplicates Z: 78 46.609 2.171 0.670 0.562 0.896 0.688 CB 1.539 78 residues pruned to eliminate duplicates Z: 35 29.386 2.123 0.787 0.551 0.882 0.647 CB 1.433 35 residues pruned to eliminate duplicates Z: 129 82.726 2.282 0.864 0.597 0.961 0.656 CB 1.631 129 residues pruned to eliminate duplicates Z: 6 4.677 1.403 0.166 0.538 1.000 0.800 O 1.232 6 residues pruned to eliminate duplicates Z: 28 31.614 2.202 0.662 0.463 0.963 0.667 CB 1.792 28 residues pruned to eliminate duplicates Z: 79 59.459 2.314 0.887 0.533 0.923 0.654 CB 1.617 79 residues pruned to eliminate duplicates Z: 9 5.391 1.654 0.476 0.655 1.000 0.750 CB 0.676 Z: 24 27.118 1.936 0.959 0.597 0.913 0.739 CB 1.488 24 residues pruned to eliminate duplicates Z: 41 31.468 2.203 0.721 0.464 0.900 0.700 CB 1.512 48 residues pruned to eliminate duplicates Z: 10 5.496 1.583 0.622 0.486 0.778 0.444 CB 0.930 7 residues pruned to eliminate duplicates Z: 8 5.855 1.924 0.268 0.400 0.714 0.571 CB 1.411 8 residues pruned to eliminate duplicates Z: 48 37.238 2.185 0.767 0.513 0.936 0.702 CB 1.483 48 residues pruned to eliminate duplicates Z: 9 12.166 1.692 0.622 0.687 1.000 0.750 CB 1.321 9 residues pruned to eliminate duplicates Z: 12 20.342 2.320 0.901 0.589 0.818 0.727 CA 1.561 12 residues pruned to eliminate duplicates Z: 21 29.516 2.007 0.998 0.680 0.950 0.750 CB 1.468 21 residues pruned to eliminate duplicates Z: 19 32.159 2.218 0.677 0.796 0.944 0.833 CA 1.665 19 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 6.806 1.840 0.519 0.473 1.000 0.800 CA 1.119 6 residues pruned to eliminate duplicates Z: 22 23.287 2.008 0.737 0.594 0.952 0.714 CA 1.399 22 residues pruned to eliminate duplicates Z: 25 22.373 1.928 0.779 0.565 0.917 0.708 CB 1.363 25 residues pruned to eliminate duplicates Z: 24 21.886 1.912 0.832 0.603 0.913 0.609 CB 1.294 24 residues pruned to eliminate duplicates Z: 7 5.699 1.518 0.648 0.451 1.000 0.500 CA 0.978 7 residues pruned to eliminate duplicates Z: 18 18.714 1.921 0.758 0.586 0.941 0.706 CA 1.315 18 residues pruned to eliminate duplicates Z: 25 21.022 1.909 0.697 0.547 0.958 0.625 CA 1.320 25 residues pruned to eliminate duplicates Z: 28 19.031 1.806 0.748 0.499 0.963 0.593 CB 1.206 28 residues pruned to eliminate duplicates Z: 23 27.873 2.009 0.911 0.597 1.000 0.682 CA 1.411 23 residues pruned to eliminate duplicates Z: 7 3.052 1.486 0.733 0.324 0.833 0.500 CA 0.705 7 residues pruned to eliminate duplicates Z: 12 11.231 1.840 0.421 0.560 1.000 0.727 CB 1.222 12 residues pruned to eliminate duplicates Z: 25 26.925 2.095 0.588 0.580 0.917 0.708 CB 1.669 25 residues pruned to eliminate duplicates Z: 33 31.776 2.081 0.633 0.550 0.969 0.625 CB 1.625 33 residues pruned to eliminate duplicates Z: 14 17.316 1.980 0.463 0.561 1.000 0.385 CA 1.562 13 residues pruned to eliminate duplicates Z: 7 9.857 1.788 0.739 0.508 1.000 0.500 CA 1.284 7 residues pruned to eliminate duplicates Z: 27 23.965 2.076 0.514 0.525 0.923 0.538 CB 1.581 27 residues pruned to eliminate duplicates Z: 6 8.232 1.870 1.046 0.579 0.800 0.200 CA 1.114 6 residues pruned to eliminate duplicates Z: 26 22.456 2.069 0.606 0.504 0.840 0.560 CB 1.602 26 residues pruned to eliminate duplicates Z: 25 28.378 2.103 0.568 0.627 0.917 0.667 CB 1.701 25 residues pruned to eliminate duplicates Z: 26 25.846 2.114 0.491 0.560 0.960 0.520 CB 1.612 26 residues pruned to eliminate duplicates Z: 21 29.556 2.252 0.454 0.602 1.000 0.700 CB 1.830 21 residues pruned to eliminate duplicates Z: 13 21.893 2.092 0.732 0.547 1.000 0.667 CB 1.665 13 residues pruned to eliminate duplicates Z: 10 23.333 2.325 0.573 0.639 1.000 0.778 CB 1.867 10 residues pruned to eliminate duplicates Z: 11 17.267 2.193 0.668 0.547 0.900 0.800 CB 1.584 11 residues pruned to eliminate duplicates Z: 11 18.963 2.246 0.534 0.584 1.000 0.700 CB 1.605 11 residues pruned to eliminate duplicates Z: 35 27.106 2.004 0.711 0.511 0.912 0.559 CB 1.472 42 residues pruned to eliminate duplicates Z: 7 4.027 1.556 0.371 0.430 1.000 0.667 N 0.829 7 residues pruned to eliminate duplicates Z: 11 17.130 2.044 0.664 0.529 1.000 0.700 C 1.547 11 residues pruned to eliminate duplicates Z: 33 28.382 2.119 0.640 0.502 0.906 0.594 CB 1.590 33 residues pruned to eliminate duplicates Z: 35 27.047 2.053 0.577 0.519 0.912 0.588 CB 1.542 35 residues pruned to eliminate duplicates Z: 25 29.023 2.137 0.627 0.539 1.000 0.583 CB 1.640 26 residues pruned to eliminate duplicates Z: 15 18.025 2.009 0.635 0.747 0.857 0.429 CB 1.373 15 residues pruned to eliminate duplicates Z: 69 57.597 2.258 0.888 0.565 0.926 0.735 CB 1.660 69 residues pruned to eliminate duplicates Z: 80 65.563 2.284 0.897 0.566 0.949 0.734 CB 1.681 80 residues pruned to eliminate duplicates Z: 46 48.730 2.260 0.845 0.617 0.933 0.644 CB 1.672 46 residues pruned to eliminate duplicates Z: 50 41.318 2.211 0.904 0.518 0.837 0.612 CB 1.647 50 residues pruned to eliminate duplicates Z: 78 72.220 2.319 1.039 0.573 0.948 0.662 CB 1.711 80 residues pruned to eliminate duplicates Z: 15 24.048 2.133 0.715 0.817 0.929 0.786 CB 1.437 15 residues pruned to eliminate duplicates Z: 50 45.610 2.243 0.848 0.535 0.918 0.694 CB 1.655 50 residues pruned to eliminate duplicates Z: 46 54.690 2.296 0.957 0.607 0.956 0.689 CB 1.715 44 residues pruned to eliminate duplicates Z: 17 30.686 2.281 0.580 0.806 0.938 0.750 CB 1.739 17 residues pruned to eliminate duplicates Z: 43 45.989 2.303 0.904 0.574 0.881 0.690 CB 1.711 43 residues pruned to eliminate duplicates Z: 44 57.313 2.339 1.018 0.622 0.953 0.674 CB 1.731 44 residues pruned to eliminate duplicates Z: 55 43.644 2.196 0.857 0.520 0.907 0.593 CB 1.574 103 residues pruned to eliminate duplicates Z: 80 61.328 2.279 0.915 0.536 0.911 0.709 CB 1.675 80 residues pruned to eliminate duplicates Z: 45 50.949 2.310 0.899 0.600 0.932 0.682 CB 1.708 45 residues pruned to eliminate duplicates Z: 80 67.131 2.294 0.948 0.565 0.937 0.734 CB 1.695 80 residues pruned to eliminate duplicates Z: 80 71.615 2.289 1.020 0.586 0.949 0.658 CB 1.691 80 residues pruned to eliminate duplicates Z: 45 55.541 2.305 0.983 0.597 0.955 0.659 CB 1.750 45 residues pruned to eliminate duplicates Z: 45 50.251 2.315 0.917 0.602 0.909 0.659 CB 1.703 45 residues pruned to eliminate duplicates Z: 47 51.543 2.323 0.874 0.587 0.913 0.630 CB 1.759 47 residues pruned to eliminate duplicates Z: 131 78.435 2.254 0.871 0.582 0.923 0.700 CB 1.633 131 residues pruned to eliminate duplicates Z: 48 44.825 2.256 0.887 0.554 0.851 0.596 CA 1.713 48 residues pruned to eliminate duplicates Z: 44 49.577 2.305 0.966 0.635 0.860 0.744 CB 1.708 44 residues pruned to eliminate duplicates Z: 45 51.835 2.264 1.007 0.586 0.932 0.659 CB 1.699 45 residues pruned to eliminate duplicates Z: 80 64.063 2.277 0.939 0.549 0.911 0.722 CB 1.708 80 residues pruned to eliminate duplicates Z: 50 44.548 2.216 0.939 0.551 0.878 0.633 CB 1.606 50 residues pruned to eliminate duplicates Z: 131 72.760 2.222 0.852 0.554 0.923 0.669 CB 1.593 131 residues pruned to eliminate duplicates Z: 39 43.820 2.205 0.984 0.624 0.895 0.711 CB 1.616 39 residues pruned to eliminate duplicates Z: 80 68.104 2.291 0.957 0.578 0.949 0.722 CB 1.669 80 residues pruned to eliminate duplicates Z: 48 50.027 2.283 0.909 0.583 0.915 0.745 CB 1.690 48 residues pruned to eliminate duplicates Z: 83 62.122 2.234 0.943 0.564 0.915 0.744 CB 1.623 83 residues pruned to eliminate duplicates Z: 80 70.590 2.280 1.079 0.572 0.924 0.709 CB 1.692 80 residues pruned to eliminate duplicates Z: 81 68.658 2.248 1.006 0.564 0.950 0.762 CB 1.684 81 residues pruned to eliminate duplicates Z: 48 46.006 2.295 0.910 0.540 0.872 0.766 CB 1.687 48 residues pruned to eliminate duplicates Z: 45 54.702 2.290 0.969 0.626 0.932 0.727 CB 1.742 45 residues pruned to eliminate duplicates Z: 79 60.169 2.221 0.964 0.551 0.923 0.679 CB 1.610 79 residues pruned to eliminate duplicates Z: 50 50.591 2.230 0.977 0.570 0.939 0.633 CB 1.632 50 residues pruned to eliminate duplicates Z: 128 82.378 2.286 0.932 0.584 0.945 0.685 CB 1.616 132 residues pruned to eliminate duplicates Z: 6 7.553 1.836 0.896 0.389 0.800 0.400 CB 1.365 6 residues pruned to eliminate duplicates Z: 13 21.716 2.345 0.901 0.554 0.833 0.750 CB 1.601 13 residues pruned to eliminate duplicates Z: 80 72.726 2.276 1.044 0.584 0.962 0.722 CB 1.686 80 residues pruned to eliminate duplicates Z: 47 55.042 2.296 0.991 0.605 0.935 0.609 CB 1.719 47 residues pruned to eliminate duplicates Z: 13 15.304 1.975 0.744 0.409 0.917 0.500 C 1.539 13 residues pruned to eliminate duplicates Z: 48 51.484 2.300 1.000 0.518 0.957 0.660 CB 1.675 48 residues pruned to eliminate duplicates Z: 80 73.383 2.284 1.059 0.579 0.962 0.709 CB 1.690 78 residues pruned to eliminate duplicates Z: 6 6.649 1.971 0.669 0.391 0.800 0.800 CA 1.269 6 residues pruned to eliminate duplicates Z: 52 42.179 2.243 0.855 0.500 0.882 0.647 CB 1.610 52 residues pruned to eliminate duplicates Z: 91 67.761 2.243 0.942 0.572 0.922 0.611 CB 1.659 91 residues pruned to eliminate duplicates Z: 36 40.593 2.228 0.965 0.547 0.971 0.657 CB 1.540 36 residues pruned to eliminate duplicates Z: 41 34.433 2.143 0.947 0.494 0.875 0.550 CB 1.500 41 residues pruned to eliminate duplicates Z: 133 79.794 2.242 0.927 0.578 0.924 0.682 CB 1.613 133 residues pruned to eliminate duplicates Z: 7 12.712 1.878 1.074 0.558 0.833 0.667 CA 1.511 7 residues pruned to eliminate duplicates Z: 32 45.396 2.280 1.197 0.527 0.935 0.677 CB 1.695 32 residues pruned to eliminate duplicates Z: 37 43.757 2.291 0.997 0.509 0.972 0.806 CB 1.624 37 residues pruned to eliminate duplicates Z: 32 44.352 2.275 1.094 0.536 0.968 0.645 CB 1.668 32 residues pruned to eliminate duplicates Z: 33 42.288 2.173 1.198 0.537 0.938 0.688 CB 1.610 33 residues pruned to eliminate duplicates Z: 88 57.297 2.214 0.779 0.575 0.943 0.655 CB 1.539 88 residues pruned to eliminate duplicates Z: 38 38.190 2.203 0.930 0.494 0.919 0.568 CB 1.617 38 residues pruned to eliminate duplicates Z: 42 39.887 2.164 0.964 0.524 0.902 0.756 CB 1.586 42 residues pruned to eliminate duplicates Z: 89 61.535 2.211 0.865 0.565 0.955 0.682 CB 1.565 87 residues pruned to eliminate duplicates Z: 10 22.274 2.123 0.619 0.894 1.000 0.667 CB 1.549 10 residues pruned to eliminate duplicates Z: 39 40.871 2.202 1.014 0.512 0.921 0.632 CB 1.605 39 residues pruned to eliminate duplicates Z: 47 46.391 2.214 1.009 0.534 0.913 0.609 CB 1.628 47 residues pruned to eliminate duplicates Z: 37 41.355 2.267 0.967 0.502 0.944 0.667 CB 1.633 37 residues pruned to eliminate duplicates Z: 42 40.388 2.217 1.058 0.482 0.902 0.756 CB 1.560 42 residues pruned to eliminate duplicates Z: 48 50.530 2.206 1.024 0.549 0.979 0.787 CB 1.608 48 residues pruned to eliminate duplicates Z: 32 42.523 2.243 1.048 0.554 0.968 0.774 CB 1.630 32 residues pruned to eliminate duplicates Z: 32 43.779 2.274 1.062 0.542 0.968 0.742 CB 1.663 32 residues pruned to eliminate duplicates Z: 89 57.147 2.172 0.892 0.574 0.920 0.727 CB 1.500 89 residues pruned to eliminate duplicates Z: 48 49.453 2.274 1.062 0.513 0.936 0.766 CB 1.622 48 residues pruned to eliminate duplicates Z: 92 52.607 2.163 0.807 0.543 0.890 0.648 CB 1.519 92 residues pruned to eliminate duplicates Z: 81 72.090 2.270 1.083 0.573 0.950 0.688 CB 1.672 81 residues pruned to eliminate duplicates Z: 65 45.087 2.182 0.757 0.558 0.906 0.594 CB 1.533 65 residues pruned to eliminate duplicates Z: 65 43.318 2.158 0.753 0.590 0.875 0.688 CB 1.501 65 residues pruned to eliminate duplicates Z: 130 75.690 2.246 0.887 0.587 0.907 0.667 CB 1.595 130 residues pruned to eliminate duplicates Z: 89 56.021 2.211 0.846 0.587 0.886 0.682 CB 1.519 89 residues pruned to eliminate duplicates Z: 88 53.574 2.161 0.814 0.558 0.920 0.770 CB 1.506 88 residues pruned to eliminate duplicates Z: 47 47.714 2.248 1.104 0.529 0.935 0.696 CB 1.546 47 residues pruned to eliminate duplicates Z: 46 43.070 2.181 0.940 0.500 0.956 0.711 CB 1.587 46 residues pruned to eliminate duplicates Z: 92 56.776 2.160 0.815 0.565 0.934 0.648 CB 1.525 92 residues pruned to eliminate duplicates Z: 132 80.041 2.249 0.887 0.587 0.939 0.679 CB 1.615 132 residues pruned to eliminate duplicates Z: 84 58.279 2.229 0.802 0.575 0.952 0.687 CB 1.557 84 residues pruned to eliminate duplicates Z: 100 65.595 2.228 0.947 0.544 0.919 0.646 CB 1.585 100 residues pruned to eliminate duplicates Z: 98 57.404 2.231 0.756 0.539 0.918 0.619 CB 1.560 98 residues pruned to eliminate duplicates Z: 133 77.150 2.231 0.944 0.575 0.917 0.659 CB 1.572 133 residues pruned to eliminate duplicates Z: 130 71.691 2.206 0.876 0.585 0.891 0.698 CB 1.577 130 residues pruned to eliminate duplicates Z: 91 53.453 2.177 0.809 0.556 0.900 0.622 CB 1.506 91 residues pruned to eliminate duplicates Z: 45 30.482 2.075 0.603 0.580 0.886 0.568 CB 1.444 45 residues pruned to eliminate duplicates Z: 56 41.269 2.164 0.738 0.584 0.909 0.582 CB 1.501 56 residues pruned to eliminate duplicates Z: 119 77.684 2.242 1.016 0.558 0.907 0.695 CB 1.649 119 residues pruned to eliminate duplicates Z: 132 75.673 2.234 0.854 0.577 0.939 0.718 CB 1.579 132 residues pruned to eliminate duplicates Z: 88 52.058 2.187 0.853 0.533 0.885 0.667 CB 1.506 88 residues pruned to eliminate duplicates Z: 58 40.429 2.152 0.680 0.580 0.895 0.632 CB 1.533 58 residues pruned to eliminate duplicates Z: 85 54.118 2.206 0.795 0.552 0.905 0.631 CB 1.567 85 residues pruned to eliminate duplicates Z: 100 63.923 2.211 0.910 0.556 0.929 0.677 CB 1.550 100 residues pruned to eliminate duplicates Z: 83 54.293 2.198 0.855 0.568 0.915 0.707 CB 1.506 83 residues pruned to eliminate duplicates Z: 88 57.449 2.212 0.909 0.561 0.908 0.678 CB 1.514 88 residues pruned to eliminate duplicates Z: 82 52.743 2.193 0.897 0.540 0.926 0.630 CB 1.463 82 residues pruned to eliminate duplicates Z: 48 36.524 2.143 0.706 0.598 0.915 0.638 CB 1.450 48 residues pruned to eliminate duplicates Z: 130 82.492 2.267 0.912 0.590 0.946 0.705 CB 1.625 130 residues pruned to eliminate duplicates Z: 132 77.555 2.225 0.891 0.584 0.954 0.687 CB 1.557 132 residues pruned to eliminate duplicates Z: 89 50.031 2.187 0.804 0.530 0.886 0.625 CB 1.481 89 residues pruned to eliminate duplicates Z: 34 31.913 2.140 0.627 0.665 0.909 0.545 CB 1.506 34 residues pruned to eliminate duplicates Z: 89 59.683 2.227 0.908 0.585 0.898 0.739 CB 1.537 89 residues pruned to eliminate duplicates Z: 43 34.137 2.208 0.719 0.624 0.833 0.714 CB 1.482 43 residues pruned to eliminate duplicates Z: 58 37.034 2.133 0.674 0.547 0.930 0.684 CB 1.411 58 residues pruned to eliminate duplicates Z: 79 55.365 2.222 0.863 0.606 0.910 0.705 CB 1.504 79 residues pruned to eliminate duplicates Z: 100 61.438 2.236 0.869 0.547 0.909 0.697 CB 1.553 100 residues pruned to eliminate duplicates Z: 54 40.678 2.197 0.722 0.602 0.887 0.679 CB 1.512 54 residues pruned to eliminate duplicates Z: 88 56.747 2.184 0.892 0.549 0.931 0.678 CB 1.508 88 residues pruned to eliminate duplicates Z: 85 56.077 2.208 0.828 0.570 0.917 0.667 CB 1.545 85 residues pruned to eliminate duplicates Z: 35 29.382 2.120 0.575 0.629 0.912 0.559 CB 1.466 35 residues pruned to eliminate duplicates Z: 81 58.339 2.219 0.919 0.589 0.925 0.688 CB 1.521 81 residues pruned to eliminate duplicates Z: 133 80.427 2.234 0.927 0.586 0.924 0.697 CB 1.619 133 residues pruned to eliminate duplicates Z: 38 35.244 2.194 0.642 0.631 0.946 0.595 CB 1.503 38 residues pruned to eliminate duplicates Z: 100 61.739 2.209 0.927 0.557 0.929 0.707 CB 1.484 100 residues pruned to eliminate duplicates Z: 86 53.212 2.174 0.841 0.554 0.906 0.612 CB 1.511 86 residues pruned to eliminate duplicates Z: 85 62.429 2.208 0.928 0.588 0.940 0.679 CB 1.563 85 residues pruned to eliminate duplicates Z: 12 18.832 2.131 0.412 0.805 1.000 0.545 CA 1.446 18 residues pruned to eliminate duplicates Z: 6 5.658 1.690 0.838 0.368 0.800 0.800 CB 1.173 5 residues pruned to eliminate duplicates Z: 6 6.055 1.526 1.116 0.385 1.000 0.400 CA 0.947 6 residues pruned to eliminate duplicates Z: 22 22.670 1.953 0.808 0.583 0.905 0.714 CA 1.430 23 residues pruned to eliminate duplicates Z: 6 4.732 1.695 1.061 0.301 0.800 0.600 CA 0.945 6 residues pruned to eliminate duplicates Z: 22 21.715 1.991 0.715 0.613 0.857 0.714 CA 1.454 22 residues pruned to eliminate duplicates Z: 22 29.083 2.006 0.973 0.695 0.905 0.810 CA 1.484 22 residues pruned to eliminate duplicates Z: 17 23.053 2.024 1.124 0.605 0.812 0.750 CB 1.493 16 residues pruned to eliminate duplicates Z: 7 3.362 1.403 0.730 0.300 0.667 0.500 N 1.061 7 residues pruned to eliminate duplicates Z: 49 60.375 2.366 1.010 0.643 0.917 0.646 CB 1.749 49 residues pruned to eliminate duplicates Z: 47 53.780 2.306 0.907 0.628 0.957 0.652 CB 1.671 47 residues pruned to eliminate duplicates Z: 33 56.525 2.378 1.020 0.683 0.969 0.688 CB 1.815 33 residues pruned to eliminate duplicates Z: 34 55.251 2.335 0.927 0.703 1.000 0.727 CB 1.775 34 residues pruned to eliminate duplicates Z: 60 52.680 2.322 0.934 0.558 0.881 0.627 CB 1.637 60 residues pruned to eliminate duplicates Z: 132 79.183 2.274 0.892 0.591 0.908 0.664 CB 1.622 132 residues pruned to eliminate duplicates Z: 42 39.935 2.129 0.912 0.561 0.902 0.610 CB 1.600 42 residues pruned to eliminate duplicates Z: 34 51.638 2.340 1.066 0.622 0.939 0.606 CB 1.765 34 residues pruned to eliminate duplicates Z: 48 57.761 2.315 1.113 0.609 0.915 0.660 CB 1.697 48 residues pruned to eliminate duplicates Z: 36 48.771 2.295 1.055 0.624 0.914 0.600 CB 1.701 36 residues pruned to eliminate duplicates Z: 133 80.490 2.275 0.861 0.606 0.909 0.697 CB 1.646 133 residues pruned to eliminate duplicates Z: 98 66.035 2.276 0.952 0.560 0.876 0.639 CB 1.625 98 residues pruned to eliminate duplicates Z: 130 78.981 2.300 0.855 0.589 0.915 0.628 CB 1.637 130 residues pruned to eliminate duplicates Z: 46 59.837 2.384 1.000 0.610 0.956 0.667 CB 1.764 46 residues pruned to eliminate duplicates Z: 48 53.559 2.318 1.001 0.593 0.915 0.617 CB 1.684 48 residues pruned to eliminate duplicates Z: 34 58.601 2.351 1.145 0.664 0.970 0.758 CB 1.792 34 residues pruned to eliminate duplicates Z: 44 61.041 2.376 1.104 0.625 0.930 0.674 CB 1.779 44 residues pruned to eliminate duplicates Z: 48 57.568 2.382 0.988 0.592 0.915 0.617 CB 1.775 48 residues pruned to eliminate duplicates Z: 33 60.834 2.362 1.162 0.672 1.000 0.688 CB 1.796 33 residues pruned to eliminate duplicates Z: 33 56.115 2.342 1.087 0.657 0.969 0.625 CB 1.810 33 residues pruned to eliminate duplicates Z: 127 88.326 2.326 0.931 0.614 0.952 0.714 CB 1.651 127 residues pruned to eliminate duplicates Z: 34 58.114 2.353 1.093 0.667 1.000 0.667 CB 1.761 34 residues pruned to eliminate duplicates Z: 48 60.160 2.390 1.089 0.596 0.915 0.638 CB 1.753 55 residues pruned to eliminate duplicates Z: 9 18.454 2.015 0.998 0.589 1.000 0.750 CA 1.489 9 residues pruned to eliminate duplicates Z: 45 53.330 2.353 0.935 0.596 0.932 0.568 CB 1.728 45 residues pruned to eliminate duplicates Z: 33 57.589 2.392 1.109 0.676 0.969 0.719 CB 1.772 33 residues pruned to eliminate duplicates Z: 6 5.681 1.435 1.039 0.486 0.800 0.800 C 1.101 6 residues pruned to eliminate duplicates Z: 49 59.955 2.359 1.081 0.617 0.896 0.708 CB 1.762 49 residues pruned to eliminate duplicates Z: 85 66.226 2.291 0.878 0.580 0.940 0.679 CB 1.654 85 residues pruned to eliminate duplicates Z: 48 63.183 2.384 1.143 0.616 0.915 0.702 CB 1.766 48 residues pruned to eliminate duplicates Z: 6 8.431 2.063 1.359 0.319 1.000 0.600 CA 0.946 6 residues pruned to eliminate duplicates Z: 13 26.818 2.348 1.107 0.553 0.917 0.750 CB 1.621 13 residues pruned to eliminate duplicates Z: 133 73.702 2.254 0.821 0.581 0.894 0.644 CB 1.617 133 residues pruned to eliminate duplicates Z: 15 17.787 2.160 0.932 0.495 0.857 0.429 CB 1.335 15 residues pruned to eliminate duplicates Z: 19 20.031 2.069 1.056 0.452 0.778 0.611 CB 1.499 19 residues pruned to eliminate duplicates Z: 51 57.907 2.301 1.089 0.608 0.900 0.620 CB 1.709 50 residues pruned to eliminate duplicates Z: 6 3.808 1.789 0.965 0.220 0.600 0.400 CA 1.122 6 residues pruned to eliminate duplicates Z: 33 35.192 2.224 0.914 0.526 0.875 0.656 CB 1.628 33 residues pruned to eliminate duplicates Z: 127 80.002 2.284 0.891 0.602 0.921 0.690 CB 1.626 127 residues pruned to eliminate duplicates Z: 51 44.059 2.270 0.950 0.544 0.840 0.640 CB 1.605 51 residues pruned to eliminate duplicates Z: 134 78.339 2.257 0.869 0.583 0.932 0.632 CB 1.595 134 residues pruned to eliminate duplicates Z: 7 6.173 1.934 0.594 0.498 0.667 0.500 CA 1.229 7 residues pruned to eliminate duplicates Z: 67 52.309 2.175 0.941 0.525 0.924 0.621 CB 1.609 34 residues pruned to eliminate duplicates Z: 13 21.807 2.056 0.679 0.745 1.000 0.833 CB 1.465 13 residues pruned to eliminate duplicates Z: 68 48.882 2.203 0.981 0.470 0.881 0.597 CB 1.602 64 residues pruned to eliminate duplicates Z: 11 14.509 2.011 0.695 0.849 0.900 0.600 CB 1.109 11 residues pruned to eliminate duplicates Z: 84 58.568 2.266 0.831 0.540 0.928 0.663 CB 1.606 84 residues pruned to eliminate duplicates Z: 100 63.360 2.232 0.936 0.554 0.909 0.626 CB 1.538 100 residues pruned to eliminate duplicates Z: 129 82.843 2.293 0.890 0.589 0.945 0.648 CB 1.641 129 residues pruned to eliminate duplicates Z: 127 80.832 2.280 0.957 0.581 0.913 0.627 CB 1.636 127 residues pruned to eliminate duplicates Z: 85 58.101 2.229 0.827 0.582 0.929 0.607 CB 1.550 85 residues pruned to eliminate duplicates Z: 81 61.623 2.276 0.795 0.604 0.950 0.650 CB 1.607 84 residues pruned to eliminate duplicates Z: 13 17.032 1.977 0.476 0.749 0.917 0.750 CB 1.472 13 residues pruned to eliminate duplicates Z: 74 57.989 2.272 0.782 0.597 0.945 0.644 CB 1.616 74 residues pruned to eliminate duplicates Z: 96 65.681 2.268 0.820 0.581 0.937 0.632 CB 1.611 96 residues pruned to eliminate duplicates Z: 95 59.425 2.256 0.834 0.572 0.894 0.681 CB 1.547 95 residues pruned to eliminate duplicates Z: 68 57.303 2.275 0.977 0.534 0.925 0.627 CB 1.627 55 residues pruned to eliminate duplicates Z: 10 5.319 1.709 0.123 0.569 0.889 0.556 CA 0.972 10 residues pruned to eliminate duplicates Z: 80 62.399 2.271 0.805 0.617 0.949 0.722 CB 1.614 80 residues pruned to eliminate duplicates Z: 91 59.010 2.179 0.891 0.575 0.922 0.667 CB 1.522 91 residues pruned to eliminate duplicates Z: 91 52.934 2.168 0.707 0.582 0.933 0.644 CB 1.493 91 residues pruned to eliminate duplicates Z: 57 52.926 2.285 0.786 0.642 0.929 0.625 CB 1.634 57 residues pruned to eliminate duplicates Z: 132 81.335 2.259 0.935 0.589 0.931 0.695 CB 1.604 132 residues pruned to eliminate duplicates Z: 53 47.712 2.253 0.792 0.640 0.942 0.673 CB 1.525 53 residues pruned to eliminate duplicates Z: 81 62.998 2.241 0.882 0.575 0.975 0.663 CB 1.594 81 residues pruned to eliminate duplicates Z: 94 77.668 2.328 1.043 0.598 0.946 0.710 CB 1.630 94 residues pruned to eliminate duplicates Z: 97 59.692 2.257 0.834 0.580 0.885 0.667 CB 1.539 97 residues pruned to eliminate duplicates Z: 49 43.717 2.299 0.735 0.632 0.896 0.729 CB 1.560 49 residues pruned to eliminate duplicates Z: 100 72.311 2.286 1.018 0.539 0.949 0.687 CB 1.597 100 residues pruned to eliminate duplicates Z: 129 84.515 2.277 0.910 0.617 0.953 0.648 CB 1.614 129 residues pruned to eliminate duplicates Z: 81 67.386 2.252 0.977 0.605 0.975 0.675 CB 1.570 81 residues pruned to eliminate duplicates Z: 52 49.225 2.280 0.784 0.616 0.961 0.608 CB 1.581 52 residues pruned to eliminate duplicates Z: 98 58.188 2.230 0.813 0.533 0.938 0.577 CB 1.508 98 residues pruned to eliminate duplicates Z: 55 42.309 2.234 0.721 0.583 0.944 0.667 CB 1.464 55 residues pruned to eliminate duplicates Z: 48 39.187 2.156 0.725 0.621 0.894 0.660 CB 1.533 48 residues pruned to eliminate duplicates Z: 108 54.748 2.199 0.727 0.554 0.897 0.607 CB 1.475 108 residues pruned to eliminate duplicates Z: 84 58.913 2.229 0.798 0.606 0.952 0.675 CB 1.533 84 residues pruned to eliminate duplicates Z: 83 56.191 2.229 0.837 0.581 0.939 0.671 CB 1.493 83 residues pruned to eliminate duplicates Z: 33 32.925 2.190 0.652 0.627 0.906 0.562 CB 1.576 33 residues pruned to eliminate duplicates Z: 74 52.691 2.246 0.940 0.530 0.918 0.699 CB 1.497 74 residues pruned to eliminate duplicates Z: 87 54.450 2.198 0.861 0.572 0.895 0.640 CB 1.495 87 residues pruned to eliminate duplicates Z: 47 39.365 2.193 0.766 0.628 0.935 0.587 CB 1.420 47 residues pruned to eliminate duplicates Z: 48 36.609 2.154 0.761 0.554 0.915 0.638 CB 1.461 48 residues pruned to eliminate duplicates Z: 41 36.805 2.143 0.779 0.627 0.925 0.650 CB 1.465 41 residues pruned to eliminate duplicates Z: 84 64.191 2.271 0.886 0.607 0.928 0.687 CB 1.601 84 residues pruned to eliminate duplicates Z: 45 43.623 2.241 0.801 0.636 0.955 0.636 CB 1.503 45 residues pruned to eliminate duplicates Z: 41 38.876 2.148 0.844 0.614 0.900 0.550 CB 1.547 41 residues pruned to eliminate duplicates Z: 43 40.553 2.167 0.844 0.642 0.905 0.619 CB 1.516 43 residues pruned to eliminate duplicates Z: 104 54.549 2.173 0.823 0.532 0.883 0.553 CB 1.488 104 residues pruned to eliminate duplicates Z: 38 43.818 2.218 0.935 0.677 0.892 0.649 CB 1.599 38 residues pruned to eliminate duplicates Z: 43 33.783 2.140 0.743 0.614 0.857 0.643 CB 1.463 43 residues pruned to eliminate duplicates Z: 53 33.826 2.093 0.767 0.583 0.865 0.558 CB 1.353 53 residues pruned to eliminate duplicates Z: 45 33.036 2.115 0.742 0.545 0.909 0.568 CB 1.423 45 residues pruned to eliminate duplicates Z: 38 43.900 2.247 0.817 0.659 0.946 0.541 CB 1.612 38 residues pruned to eliminate duplicates Z: 39 38.645 2.195 0.775 0.633 0.895 0.526 CB 1.586 39 residues pruned to eliminate duplicates Z: 128 74.685 2.264 0.856 0.585 0.929 0.669 CB 1.565 94 residues pruned to eliminate duplicates Z: 11 19.083 2.128 0.894 0.873 0.900 0.800 CB 1.212 11 residues pruned to eliminate duplicates Z: 52 42.767 2.274 0.705 0.598 0.922 0.627 CB 1.527 52 residues pruned to eliminate duplicates Z: 38 40.467 2.205 0.872 0.647 0.892 0.649 CB 1.575 38 residues pruned to eliminate duplicates Z: 80 61.358 2.255 0.885 0.595 0.975 0.709 CB 1.522 80 residues pruned to eliminate duplicates Z: 30 39.174 2.212 0.707 0.715 0.966 0.586 CB 1.642 30 residues pruned to eliminate duplicates Z: 57 45.534 2.196 0.820 0.615 0.946 0.607 CB 1.442 57 residues pruned to eliminate duplicates Z: 17 17.906 1.960 0.579 0.661 0.875 0.562 CA 1.423 17 residues pruned to eliminate duplicates Z: 51 44.915 2.286 0.785 0.629 0.900 0.700 CB 1.532 51 residues pruned to eliminate duplicates Z: 86 57.543 2.241 0.833 0.570 0.929 0.624 CB 1.528 86 residues pruned to eliminate duplicates Z: 99 63.110 2.232 0.845 0.573 0.939 0.694 CB 1.537 99 residues pruned to eliminate duplicates Z: 90 54.007 2.195 0.775 0.576 0.921 0.629 CB 1.482 90 residues pruned to eliminate duplicates Z: 89 52.138 2.178 0.749 0.580 0.932 0.693 CB 1.450 89 residues pruned to eliminate duplicates Z: 133 78.954 2.263 0.900 0.585 0.955 0.674 CB 1.544 133 residues pruned to eliminate duplicates 7 1.744 1.295 0.087 0.364 0.667 0.167 CB 0.878 ? Z: 34 16.933 2.036 0.455 0.506 0.758 0.485 CB 1.306 34 residues pruned to eliminate duplicates 6 1.786 1.251 0.311 0.100 0.800 0.600 CA 1.014 ? Z: 40 30.929 2.123 0.585 0.497 1.000 0.615 CB 1.476 40 residues pruned to eliminate duplicates Z: 40 27.657 2.110 0.707 0.489 0.846 0.538 CB 1.469 40 residues pruned to eliminate duplicates Z: 36 30.870 2.206 0.649 0.529 0.943 0.571 CB 1.479 36 residues pruned to eliminate duplicates Z: 37 28.254 2.172 0.550 0.509 0.917 0.528 CB 1.513 37 residues pruned to eliminate duplicates Z: 33 17.749 1.990 0.320 0.547 0.844 0.656 CB 1.353 33 residues pruned to eliminate duplicates Z: 37 23.118 2.103 0.555 0.464 0.833 0.417 CB 1.467 37 residues pruned to eliminate duplicates Z: 30 23.461 2.126 0.484 0.505 0.966 0.517 CB 1.424 30 residues pruned to eliminate duplicates Z: 27 20.305 2.165 0.455 0.498 0.923 0.385 CB 1.372 27 residues pruned to eliminate duplicates Z: 36 29.147 2.208 0.573 0.539 0.914 0.571 CB 1.494 36 residues pruned to eliminate duplicates Z: 35 21.995 2.031 0.434 0.517 0.941 0.588 CB 1.353 35 residues pruned to eliminate duplicates Z: 35 28.555 2.130 0.564 0.543 0.941 0.588 CB 1.498 35 residues pruned to eliminate duplicates Z: 35 23.783 2.022 0.608 0.525 0.941 0.471 CB 1.300 35 residues pruned to eliminate duplicates Z: 22 17.169 2.080 0.347 0.521 0.952 0.476 CB 1.376 22 residues pruned to eliminate duplicates Z: 34 22.699 1.975 0.664 0.504 0.909 0.606 CB 1.317 34 residues pruned to eliminate duplicates Z: 36 31.002 2.193 0.597 0.533 0.971 0.543 CB 1.491 36 residues pruned to eliminate duplicates Z: 28 27.422 2.182 0.519 0.535 1.000 0.519 CB 1.539 28 residues pruned to eliminate duplicates Z: 31 22.925 2.076 0.474 0.511 0.967 0.600 CB 1.399 31 residues pruned to eliminate duplicates Z: 27 26.648 2.206 0.672 0.565 0.885 0.462 CB 1.504 27 residues pruned to eliminate duplicates Z: 31 23.242 2.050 0.615 0.493 0.933 0.600 CB 1.384 31 residues pruned to eliminate duplicates Z: 42 20.344 1.956 0.431 0.479 0.878 0.463 CB 1.320 42 residues pruned to eliminate duplicates Z: 122 65.520 2.199 0.792 0.556 0.950 0.620 CB 1.506 122 residues pruned to eliminate duplicates Z: 39 25.140 2.118 0.579 0.410 0.974 0.500 CB 1.375 39 residues pruned to eliminate duplicates Z: 36 27.039 2.159 0.561 0.513 0.971 0.571 CB 1.378 36 residues pruned to eliminate duplicates Z: 43 24.716 2.042 0.492 0.452 0.952 0.476 CB 1.381 43 residues pruned to eliminate duplicates Z: 41 28.143 2.111 0.568 0.497 0.950 0.625 CB 1.420 41 residues pruned to eliminate duplicates Z: 20 27.021 2.292 0.757 0.467 0.947 0.579 CB 1.680 20 residues pruned to eliminate duplicates Z: 36 29.869 2.186 0.666 0.515 0.943 0.543 CB 1.448 36 residues pruned to eliminate duplicates Z: 12 23.097 2.197 0.932 0.459 1.000 0.818 CB 1.711 12 residues pruned to eliminate duplicates Z: 43 35.285 2.145 0.980 0.488 0.857 0.643 CB 1.514 43 residues pruned to eliminate duplicates Z: 18 17.047 1.940 1.032 0.450 0.765 0.471 CB 1.444 17 residues pruned to eliminate duplicates Z: 6 9.481 1.787 0.996 0.394 1.000 0.800 CA 1.330 6 residues pruned to eliminate duplicates Z: 36 24.859 2.125 0.583 0.468 0.914 0.486 CB 1.413 36 residues pruned to eliminate duplicates Z: 21 15.182 1.930 0.654 0.419 0.900 0.400 CB 1.286 21 residues pruned to eliminate duplicates 326 residues left after pruning, divided into chains as follows: A: 8 B: 126 C: 21 D: 8 E: 79 F: 84 CC for partial structure against native data = 37.95 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.469, Connect. = 0.681 for dens.mod. cycle 1 = 0.300, Contrast = 0.549, Connect. = 0.720 for dens.mod. cycle 2 = 0.300, Contrast = 0.657, Connect. = 0.757 for dens.mod. cycle 3 = 0.300, Contrast = 0.668, Connect. = 0.762 for dens.mod. cycle 4 = 0.300, Contrast = 0.681, Connect. = 0.765 for dens.mod. cycle 5 = 0.300, Contrast = 0.684, Connect. = 0.768 for dens.mod. cycle 6 = 0.300, Contrast = 0.689, Connect. = 0.769 for dens.mod. cycle 7 = 0.300, Contrast = 0.690, Connect. = 0.771 for dens.mod. cycle 8 = 0.300, Contrast = 0.692, Connect. = 0.771 for dens.mod. cycle 9 = 0.300, Contrast = 0.691, Connect. = 0.772 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2883 peaks > 0.5 sigma used to seed fragment search Space for about 535 unique residues taking solvent into account 605 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 30.628 2.161 0.764 0.800 0.933 0.533 C 1.710 B: 15 32.591 2.173 1.007 0.838 0.857 0.571 C 1.742 16 residues pruned to eliminate duplicates C: 18 27.510 2.248 0.591 0.750 0.882 0.706 CB 1.691 D: 17 34.551 2.289 0.772 0.791 0.938 0.625 CB 1.760 17 residues pruned to eliminate duplicates E: 19 31.967 2.189 1.129 0.692 0.778 0.556 CB 1.744 15 residues pruned to eliminate duplicates F: 15 37.671 2.292 1.039 0.877 0.929 0.571 CB 1.685 G: 17 34.107 2.269 0.867 0.749 0.938 0.562 CA 1.720 17 residues pruned to eliminate duplicates H: 17 36.817 2.413 0.729 0.791 0.875 0.562 CA 1.954 18 residues pruned to eliminate duplicates I: 19 40.647 2.265 0.995 0.803 0.944 0.667 CA 1.722 19 residues pruned to eliminate duplicates J: 18 30.133 2.289 0.606 0.784 0.882 0.706 CA 1.755 18 residues pruned to eliminate duplicates K: 41 27.541 2.140 0.536 0.498 0.925 0.500 CB 1.436 L: 17 35.440 2.345 0.798 0.793 0.938 0.500 CA 1.733 19 residues pruned to eliminate duplicates M: 15 35.130 2.332 0.695 0.894 1.000 0.786 CB 1.705 15 residues pruned to eliminate duplicates N: 40 25.913 2.103 0.579 0.472 0.872 0.692 CB 1.474 40 residues pruned to eliminate duplicates O: 15 36.435 2.304 0.883 0.891 1.000 0.500 CB 1.614 15 residues pruned to eliminate duplicates P: 13 28.526 2.337 0.778 0.804 0.833 0.500 CA 1.824 13 residues pruned to eliminate duplicates Q: 19 38.643 2.244 0.911 0.820 0.889 0.722 CA 1.810 20 residues pruned to eliminate duplicates R: 16 32.802 2.226 0.728 0.847 1.000 0.733 CA 1.634 S: 17 45.286 2.440 0.757 0.873 1.000 0.812 CB 1.923 17 residues pruned to eliminate duplicates T: 15 29.582 2.248 0.657 0.870 1.000 0.786 CB 1.550 15 residues pruned to eliminate duplicates U: 16 31.353 2.306 0.816 0.807 0.867 0.667 CA 1.708 16 residues pruned to eliminate duplicates V: 98 57.626 2.255 0.732 0.572 0.907 0.732 CB 1.540 16 residues pruned to eliminate duplicates W: 39 28.625 2.160 0.567 0.502 0.947 0.711 CB 1.445 40 residues pruned to eliminate duplicates X: 92 73.673 2.295 0.940 0.563 0.945 0.747 CB 1.727 18 residues pruned to eliminate duplicates Y: 18 31.094 2.207 0.813 0.814 0.824 0.471 CA 1.742 18 residues pruned to eliminate duplicates Z: 18 34.985 2.316 0.529 0.814 1.000 0.529 CB 1.823 18 residues pruned to eliminate duplicates Z: 13 35.736 2.282 0.944 0.921 1.000 0.750 CB 1.638 13 residues pruned to eliminate duplicates Z: 15 33.497 2.350 0.618 0.902 1.000 1.000 CB 1.680 15 residues pruned to eliminate duplicates Z: 16 30.953 2.361 0.423 0.804 1.000 0.533 CB 1.824 16 residues pruned to eliminate duplicates Z: 46 55.832 2.344 0.961 0.646 0.911 0.711 CB 1.735 30 residues pruned to eliminate duplicates Z: 15 34.469 2.267 0.774 0.873 1.000 0.786 CA 1.668 15 residues pruned to eliminate duplicates Z: 19 30.637 2.135 0.720 0.824 0.889 0.778 CA 1.671 19 residues pruned to eliminate duplicates Z: 15 25.187 2.288 0.444 0.873 0.929 0.857 CA 1.597 15 residues pruned to eliminate duplicates Z: 14 41.111 2.389 0.874 0.863 1.000 0.692 CA 1.869 14 residues pruned to eliminate duplicates Z: 40 31.138 2.103 0.841 0.493 0.897 0.564 CB 1.446 40 residues pruned to eliminate duplicates Z: 35 27.225 2.171 0.575 0.522 0.971 0.647 CB 1.377 35 residues pruned to eliminate duplicates Z: 36 36.970 2.157 0.934 0.512 0.971 0.714 CB 1.524 36 residues pruned to eliminate duplicates Z: 6 12.491 2.238 0.388 0.799 0.800 0.600 CA 1.731 6 residues pruned to eliminate duplicates Z: 12 17.696 2.006 0.692 0.878 0.909 0.636 CB 1.255 16 residues pruned to eliminate duplicates Z: 11 17.672 1.801 0.865 0.879 1.000 0.800 CB 1.207 11 residues pruned to eliminate duplicates Z: 44 41.951 2.275 0.868 0.566 0.907 0.674 CB 1.556 44 residues pruned to eliminate duplicates Z: 10 17.886 2.052 0.816 0.614 0.889 0.778 C 1.616 Z: 8 15.690 2.066 0.396 0.727 1.000 0.571 CA 1.676 8 residues pruned to eliminate duplicates Z: 20 30.080 2.170 0.718 0.742 0.895 0.632 CA 1.665 18 residues pruned to eliminate duplicates Z: 16 31.748 2.378 0.519 0.826 1.000 0.667 CB 1.711 16 residues pruned to eliminate duplicates Z: 31 42.381 2.253 1.018 0.545 0.967 0.600 CB 1.684 31 residues pruned to eliminate duplicates Z: 46 57.758 2.330 0.987 0.619 0.933 0.733 CB 1.782 46 residues pruned to eliminate duplicates Z: 23 28.398 2.216 0.846 0.461 0.909 0.545 CB 1.693 23 residues pruned to eliminate duplicates Z: 11 14.080 2.180 0.171 0.861 0.900 0.800 CA 1.424 Z: 6 4.775 1.833 0.412 0.622 0.800 0.400 CB 0.920 6 residues pruned to eliminate duplicates Z: 32 43.011 2.244 1.054 0.557 0.935 0.774 CB 1.696 32 residues pruned to eliminate duplicates Z: 88 56.060 2.196 0.701 0.599 0.954 0.632 CB 1.535 88 residues pruned to eliminate duplicates Z: 15 32.696 2.315 0.650 0.880 1.000 0.857 CB 1.658 15 residues pruned to eliminate duplicates Z: 15 41.981 2.361 1.100 0.876 0.929 0.571 CA 1.771 15 residues pruned to eliminate duplicates Z: 11 20.248 2.198 0.687 0.847 0.900 0.600 CA 1.425 11 residues pruned to eliminate duplicates Z: 35 30.689 2.212 0.536 0.552 0.971 0.676 CB 1.517 35 residues pruned to eliminate duplicates Z: 14 25.400 2.204 0.518 0.888 1.000 0.769 CB 1.518 13 residues pruned to eliminate duplicates Z: 50 53.627 2.261 1.024 0.597 0.980 0.796 CB 1.559 44 residues pruned to eliminate duplicates Z: 14 18.295 2.394 0.601 0.582 0.923 0.538 CB 1.325 14 residues pruned to eliminate duplicates Z: 44 46.722 2.315 0.768 0.600 0.907 0.744 CB 1.745 44 residues pruned to eliminate duplicates Z: 16 29.373 2.244 0.684 0.844 0.933 0.600 CA 1.600 16 residues pruned to eliminate duplicates Z: 8 6.259 1.897 0.292 0.749 0.714 0.714 CB 1.082 8 residues pruned to eliminate duplicates Z: 19 36.490 2.219 0.842 0.800 0.889 0.722 CA 1.821 19 residues pruned to eliminate duplicates Z: 31 44.409 2.290 0.919 0.650 0.967 0.767 CB 1.659 31 residues pruned to eliminate duplicates Z: 12 19.343 2.010 0.754 0.604 0.909 0.818 CB 1.649 10 residues pruned to eliminate duplicates Z: 19 40.374 2.216 0.822 0.814 1.000 0.556 CA 1.793 19 residues pruned to eliminate duplicates Z: 82 63.785 2.271 0.861 0.556 0.926 0.630 CB 1.716 81 residues pruned to eliminate duplicates Z: 79 70.515 2.329 0.961 0.580 0.949 0.731 CB 1.706 81 residues pruned to eliminate duplicates Z: 84 42.205 2.150 0.555 0.567 0.928 0.602 CB 1.400 81 residues pruned to eliminate duplicates Z: 11 14.436 2.153 0.110 0.885 1.000 0.800 CA 1.379 11 residues pruned to eliminate duplicates Z: 16 29.169 2.231 0.663 0.826 0.933 0.600 CA 1.639 16 residues pruned to eliminate duplicates Z: 18 29.766 2.245 0.584 0.816 0.941 0.647 CB 1.639 18 residues pruned to eliminate duplicates Z: 63 61.438 2.292 1.013 0.544 0.935 0.726 CB 1.731 62 residues pruned to eliminate duplicates Z: 10 26.803 2.264 0.696 0.881 1.000 0.556 CA 1.684 10 residues pruned to eliminate duplicates Z: 49 46.827 2.285 0.888 0.537 0.938 0.708 CB 1.612 49 residues pruned to eliminate duplicates Z: 74 44.567 2.192 0.779 0.451 0.904 0.644 CB 1.556 74 residues pruned to eliminate duplicates Z: 17 32.541 2.303 0.571 0.751 1.000 0.562 CB 1.798 17 residues pruned to eliminate duplicates Z: 22 23.038 1.998 0.481 0.572 0.952 0.524 CA 1.664 12 residues pruned to eliminate duplicates Z: 11 12.442 1.801 0.153 0.827 1.000 0.800 CA 1.428 11 residues pruned to eliminate duplicates Z: 26 22.444 1.912 0.844 0.570 0.880 0.560 CA 1.353 Z: 35 36.359 2.217 0.690 0.548 0.971 0.794 CB 1.636 35 residues pruned to eliminate duplicates Z: 14 23.132 1.951 0.632 0.868 1.000 0.769 CB 1.473 14 residues pruned to eliminate duplicates Z: 35 28.982 2.186 0.724 0.480 0.912 0.441 CB 1.477 35 residues pruned to eliminate duplicates Z: 14 22.433 2.221 0.990 0.527 0.923 0.692 CB 1.485 14 residues pruned to eliminate duplicates Z: 19 30.922 2.206 0.701 0.816 0.889 0.778 CA 1.661 19 residues pruned to eliminate duplicates Z: 13 22.106 2.258 0.858 0.406 1.000 0.667 CB 1.680 13 residues pruned to eliminate duplicates Z: 18 35.093 2.342 0.815 0.793 0.882 0.706 CA 1.755 18 residues pruned to eliminate duplicates Z: 17 31.983 2.288 0.765 0.769 0.875 0.562 CB 1.783 17 residues pruned to eliminate duplicates Z: 15 36.889 2.449 0.847 0.689 1.000 0.786 CB 1.833 15 residues pruned to eliminate duplicates Z: 17 13.799 1.985 0.263 0.455 0.875 0.625 CA 1.647 17 residues pruned to eliminate duplicates Z: 22 23.310 1.976 0.461 0.587 1.000 0.667 CB 1.621 22 residues pruned to eliminate duplicates Z: 18 30.122 2.232 0.584 0.757 0.941 0.647 CB 1.746 18 residues pruned to eliminate duplicates Z: 25 23.203 1.943 0.749 0.576 0.875 0.708 CB 1.481 26 residues pruned to eliminate duplicates Z: 81 61.608 2.269 0.734 0.618 0.963 0.713 CB 1.627 81 residues pruned to eliminate duplicates Z: 23 27.733 2.019 0.883 0.621 0.955 0.818 CB 1.453 25 residues pruned to eliminate duplicates Z: 11 13.092 1.991 0.178 0.793 0.900 0.800 CB 1.516 11 residues pruned to eliminate duplicates Z: 16 18.906 2.255 0.679 0.528 0.867 0.667 CB 1.448 16 residues pruned to eliminate duplicates Z: 32 46.012 2.258 1.071 0.549 1.000 0.774 CB 1.684 32 residues pruned to eliminate duplicates Z: 7 11.885 1.878 1.073 0.537 1.000 0.833 CB 1.202 7 residues pruned to eliminate duplicates Z: 126 82.654 2.270 0.911 0.589 0.944 0.696 CB 1.657 126 residues pruned to eliminate duplicates Z: 28 33.156 2.281 0.992 0.499 0.889 0.704 CB 1.581 28 residues pruned to eliminate duplicates Z: 11 12.933 1.894 0.457 0.886 0.900 0.900 CB 1.188 11 residues pruned to eliminate duplicates Z: 18 22.098 2.101 0.577 0.549 0.882 0.647 CB 1.748 18 residues pruned to eliminate duplicates Z: 102 68.101 2.292 0.936 0.533 0.911 0.594 CB 1.623 102 residues pruned to eliminate duplicates Z: 58 45.005 2.169 0.871 0.495 0.930 0.649 CB 1.588 58 residues pruned to eliminate duplicates Z: 10 18.538 2.204 0.641 0.886 0.889 0.778 CB 1.387 10 residues pruned to eliminate duplicates Z: 45 61.552 2.390 1.158 0.642 0.909 0.705 CB 1.733 45 residues pruned to eliminate duplicates Z: 98 59.880 2.256 0.740 0.571 0.928 0.649 CB 1.558 98 residues pruned to eliminate duplicates Z: 6 5.779 1.791 -0.149 0.828 1.000 0.600 CA 1.275 6 residues pruned to eliminate duplicates Z: 11 17.649 2.154 0.304 0.904 1.000 0.600 CA 1.415 11 residues pruned to eliminate duplicates Z: 10 17.329 2.083 0.383 0.879 1.000 0.889 CB 1.453 10 residues pruned to eliminate duplicates Z: 16 33.646 2.282 0.883 0.814 0.867 0.800 CB 1.776 16 residues pruned to eliminate duplicates Z: 48 34.248 2.114 0.790 0.570 0.872 0.574 CB 1.415 48 residues pruned to eliminate duplicates Z: 52 34.368 2.203 0.582 0.593 0.882 0.588 CB 1.431 52 residues pruned to eliminate duplicates Z: 82 58.110 2.230 0.838 0.572 0.938 0.654 CB 1.566 82 residues pruned to eliminate duplicates Z: 12 13.939 1.993 0.489 0.844 0.818 0.636 CB 1.288 12 residues pruned to eliminate duplicates Z: 86 55.212 2.213 0.739 0.553 0.941 0.612 CB 1.569 86 residues pruned to eliminate duplicates Z: 31 24.267 2.143 0.522 0.510 0.967 0.567 CB 1.392 31 residues pruned to eliminate duplicates Z: 44 30.908 2.117 0.717 0.437 0.884 0.581 CB 1.566 44 residues pruned to eliminate duplicates Z: 25 19.751 1.914 0.733 0.541 0.875 0.708 CB 1.335 25 residues pruned to eliminate duplicates Z: 16 26.137 2.212 0.521 0.844 0.933 0.667 CA 1.599 16 residues pruned to eliminate duplicates Z: 18 27.272 2.263 0.483 0.806 0.882 0.706 CB 1.710 18 residues pruned to eliminate duplicates Z: 24 20.225 1.898 0.505 0.537 0.957 0.565 CB 1.489 23 residues pruned to eliminate duplicates Z: 23 27.778 2.016 0.874 0.630 0.909 0.727 CB 1.526 23 residues pruned to eliminate duplicates Z: 12 24.184 2.293 0.955 0.604 0.909 0.727 CB 1.622 12 residues pruned to eliminate duplicates Z: 11 12.331 1.987 0.257 0.785 0.800 0.800 CA 1.519 11 residues pruned to eliminate duplicates Z: 11 15.545 2.146 0.596 0.835 0.800 0.600 CA 1.345 11 residues pruned to eliminate duplicates Z: 83 58.138 2.235 0.780 0.600 0.939 0.683 CB 1.563 83 residues pruned to eliminate duplicates Z: 18 38.441 2.285 0.894 0.791 0.941 0.706 CA 1.774 18 residues pruned to eliminate duplicates Z: 15 35.029 2.333 0.740 0.887 1.000 0.929 CB 1.662 15 residues pruned to eliminate duplicates Z: 57 43.292 2.193 0.893 0.522 0.875 0.696 CB 1.558 57 residues pruned to eliminate duplicates Z: 34 22.880 2.054 0.640 0.542 0.879 0.636 CB 1.291 34 residues pruned to eliminate duplicates Z: 18 23.971 2.158 0.515 0.790 0.882 0.471 CA 1.562 18 residues pruned to eliminate duplicates Z: 10 10.924 1.895 0.043 0.854 1.000 0.889 CB 1.361 10 residues pruned to eliminate duplicates Z: 16 28.232 2.179 0.634 0.830 0.933 0.867 CB 1.649 16 residues pruned to eliminate duplicates Z: 33 18.567 1.908 0.479 0.438 0.906 0.625 CB 1.368 33 residues pruned to eliminate duplicates Z: 100 71.037 2.272 0.889 0.555 0.929 0.737 CB 1.696 100 residues pruned to eliminate duplicates Z: 100 67.481 2.287 0.813 0.540 0.939 0.717 CB 1.673 100 residues pruned to eliminate duplicates Z: 23 29.377 1.993 0.882 0.645 1.000 0.773 CB 1.459 23 residues pruned to eliminate duplicates Z: 129 82.454 2.308 0.865 0.595 0.938 0.641 CB 1.649 129 residues pruned to eliminate duplicates Z: 53 38.981 2.205 0.660 0.601 0.904 0.654 CB 1.485 53 residues pruned to eliminate duplicates Z: 33 25.767 1.928 0.601 0.528 0.969 0.500 CB 1.482 23 residues pruned to eliminate duplicates Z: 37 36.050 2.062 0.784 0.625 0.972 0.444 CB 1.493 30 residues pruned to eliminate duplicates Z: 14 17.102 1.945 1.104 0.390 0.846 0.615 CB 1.539 14 residues pruned to eliminate duplicates Z: 11 19.560 2.065 0.601 0.902 1.000 0.700 CB 1.335 11 residues pruned to eliminate duplicates Z: 49 52.835 2.303 0.880 0.590 0.938 0.688 CB 1.723 49 residues pruned to eliminate duplicates Z: 24 26.384 1.969 0.971 0.603 0.870 0.739 CB 1.478 24 residues pruned to eliminate duplicates Z: 58 42.533 2.124 0.896 0.490 0.930 0.684 CB 1.519 58 residues pruned to eliminate duplicates Z: 132 83.202 2.258 0.907 0.584 0.939 0.725 CB 1.658 131 residues pruned to eliminate duplicates Z: 26 29.253 2.145 0.652 0.522 0.960 0.600 CB 1.682 26 residues pruned to eliminate duplicates Z: 46 55.099 2.370 0.962 0.607 0.956 0.622 CB 1.670 46 residues pruned to eliminate duplicates Z: 42 44.882 2.259 0.908 0.497 0.951 0.659 CB 1.714 42 residues pruned to eliminate duplicates Z: 11 20.993 2.117 0.558 0.908 1.000 0.600 CA 1.429 11 residues pruned to eliminate duplicates Z: 31 54.361 2.337 1.064 0.697 0.967 0.700 CB 1.779 31 residues pruned to eliminate duplicates Z: 134 81.243 2.285 0.848 0.603 0.940 0.699 CB 1.609 134 residues pruned to eliminate duplicates Z: 128 79.332 2.301 0.830 0.580 0.945 0.622 CB 1.637 129 residues pruned to eliminate duplicates Z: 47 60.302 2.340 1.067 0.624 0.978 0.696 CB 1.672 47 residues pruned to eliminate duplicates Z: 11 15.928 2.013 0.591 0.786 0.800 0.700 CA 1.529 11 residues pruned to eliminate duplicates Z: 15 9.996 1.830 0.270 0.580 1.000 0.714 CB 1.064 15 residues pruned to eliminate duplicates Z: 31 19.876 1.981 0.437 0.510 0.933 0.600 CB 1.353 31 residues pruned to eliminate duplicates Z: 79 72.443 2.297 1.014 0.588 0.949 0.718 CB 1.719 79 residues pruned to eliminate duplicates Z: 83 62.941 2.224 0.826 0.601 0.976 0.634 CB 1.593 83 residues pruned to eliminate duplicates Z: 24 21.226 1.929 0.492 0.611 0.913 0.522 CB 1.516 24 residues pruned to eliminate duplicates Z: 8 10.138 1.928 0.464 0.669 0.857 0.571 CA 1.354 8 residues pruned to eliminate duplicates Z: 10 22.869 2.175 0.843 0.861 1.000 0.444 CB 1.397 10 residues pruned to eliminate duplicates Z: 19 17.316 2.109 0.898 0.453 0.833 0.611 CB 1.284 19 residues pruned to eliminate duplicates Z: 8 3.692 1.555 0.422 0.588 0.714 0.286 CA 0.812 8 residues pruned to eliminate duplicates Z: 80 66.410 2.297 0.899 0.549 0.949 0.633 CB 1.720 81 residues pruned to eliminate duplicates Z: 12 15.873 1.928 1.197 0.463 0.818 0.636 CB 1.433 12 residues pruned to eliminate duplicates Z: 17 37.707 2.375 1.035 0.771 0.812 0.562 CB 1.889 17 residues pruned to eliminate duplicates Z: 46 50.156 2.324 0.731 0.608 0.956 0.756 CB 1.756 46 residues pruned to eliminate duplicates Z: 16 29.920 2.088 1.155 0.574 1.000 0.800 CB 1.599 16 residues pruned to eliminate duplicates Z: 46 49.837 2.313 0.796 0.593 0.956 0.578 CB 1.711 46 residues pruned to eliminate duplicates Z: 35 29.948 2.209 0.496 0.519 1.000 0.588 CB 1.526 35 residues pruned to eliminate duplicates Z: 74 50.807 2.187 0.832 0.527 0.918 0.671 CB 1.574 74 residues pruned to eliminate duplicates Z: 29 22.475 2.126 0.403 0.547 0.964 0.571 CB 1.410 29 residues pruned to eliminate duplicates Z: 15 31.629 2.272 0.750 0.877 1.000 0.857 CB 1.544 15 residues pruned to eliminate duplicates Z: 30 28.711 1.973 0.732 0.525 1.000 0.690 CB 1.522 30 residues pruned to eliminate duplicates Z: 8 3.996 1.776 0.765 0.300 0.571 0.571 CB 1.055 8 residues pruned to eliminate duplicates Z: 14 17.396 1.795 0.501 0.859 0.923 0.615 CB 1.428 14 residues pruned to eliminate duplicates Z: 28 40.747 2.211 0.990 0.574 0.963 0.704 CB 1.724 28 residues pruned to eliminate duplicates Z: 15 11.807 1.838 0.783 0.361 0.857 0.571 CB 1.305 15 residues pruned to eliminate duplicates Z: 7 5.707 1.535 0.740 0.673 0.667 0.333 CA 1.115 7 residues pruned to eliminate duplicates Z: 6 12.660 2.003 0.519 0.790 1.000 0.600 CB 1.441 6 residues pruned to eliminate duplicates Z: 7 10.913 2.024 0.386 0.697 1.000 0.500 CB 1.327 7 residues pruned to eliminate duplicates Z: 16 35.702 2.209 0.744 0.906 1.000 0.867 CB 1.702 16 residues pruned to eliminate duplicates Z: 10 20.087 2.134 0.497 0.889 1.000 0.778 CB 1.509 10 residues pruned to eliminate duplicates Z: 17 22.324 2.033 0.903 0.613 0.875 0.750 CB 1.482 17 residues pruned to eliminate duplicates Z: 81 68.765 2.279 0.957 0.572 0.950 0.688 CB 1.692 81 residues pruned to eliminate duplicates Z: 11 17.739 1.958 0.610 0.819 0.900 0.700 CA 1.499 11 residues pruned to eliminate duplicates Z: 17 24.333 2.036 0.899 0.635 0.938 0.750 CB 1.479 17 residues pruned to eliminate duplicates Z: 15 26.504 2.302 0.631 0.849 0.857 0.714 CB 1.631 15 residues pruned to eliminate duplicates Z: 128 81.570 2.285 0.846 0.617 0.945 0.693 CB 1.626 128 residues pruned to eliminate duplicates Z: 19 31.090 2.201 0.631 0.791 0.944 0.611 CA 1.674 19 residues pruned to eliminate duplicates Z: 10 20.894 2.105 0.550 0.889 1.000 0.778 CB 1.537 10 residues pruned to eliminate duplicates Z: 18 33.330 2.164 0.731 0.768 1.000 0.765 CA 1.702 18 residues pruned to eliminate duplicates Z: 48 42.326 2.231 0.709 0.609 0.936 0.617 CB 1.559 48 residues pruned to eliminate duplicates Z: 62 36.336 2.153 0.606 0.566 0.852 0.574 CB 1.481 62 residues pruned to eliminate duplicates Z: 38 33.019 2.172 0.731 0.480 0.892 0.676 CB 1.651 38 residues pruned to eliminate duplicates Z: 45 42.363 2.211 0.731 0.626 0.955 0.636 CB 1.553 45 residues pruned to eliminate duplicates 6 1.819 1.627 0.703 0.297 0.400 0.400 CB 0.921 ? Z: 21 19.663 2.220 0.694 0.346 0.850 0.400 CB 1.625 21 residues pruned to eliminate duplicates Z: 10 18.751 2.133 0.329 0.909 1.000 0.667 CB 1.565 10 residues pruned to eliminate duplicates Z: 18 25.920 2.228 0.461 0.759 0.882 0.647 CA 1.738 18 residues pruned to eliminate duplicates Z: 9 17.946 2.059 0.747 0.880 1.000 0.875 CB 1.278 9 residues pruned to eliminate duplicates Z: 83 59.914 2.259 0.712 0.576 0.976 0.683 CB 1.630 83 residues pruned to eliminate duplicates Z: 11 12.302 2.156 0.417 0.836 0.800 0.800 CB 1.191 11 residues pruned to eliminate duplicates Z: 15 26.805 2.316 0.576 0.727 0.929 0.643 CB 1.722 15 residues pruned to eliminate duplicates Z: 13 24.365 2.229 1.207 0.541 0.917 0.583 CB 1.498 13 residues pruned to eliminate duplicates Z: 64 37.460 2.113 0.672 0.575 0.889 0.683 CB 1.397 64 residues pruned to eliminate duplicates Z: 18 21.695 2.200 0.751 0.438 0.882 0.471 CB 1.649 18 residues pruned to eliminate duplicates Z: 14 12.334 1.747 0.427 0.754 0.846 0.615 CB 1.293 14 residues pruned to eliminate duplicates Z: 11 17.606 2.004 0.584 0.874 1.000 0.600 CB 1.276 11 residues pruned to eliminate duplicates Z: 18 40.339 2.303 1.022 0.759 0.941 0.588 CB 1.773 18 residues pruned to eliminate duplicates Z: 38 42.578 2.195 1.026 0.525 0.946 0.811 CB 1.623 38 residues pruned to eliminate duplicates Z: 17 39.165 2.424 0.898 0.792 0.938 0.625 CA 1.756 17 residues pruned to eliminate duplicates Z: 37 23.642 2.026 0.530 0.570 0.861 0.611 CB 1.380 37 residues pruned to eliminate duplicates Z: 11 20.202 2.179 0.513 0.888 1.000 0.900 CA 1.396 11 residues pruned to eliminate duplicates Z: 132 80.012 2.257 0.836 0.603 0.954 0.679 CB 1.603 133 residues pruned to eliminate duplicates Z: 86 55.256 2.207 0.829 0.580 0.894 0.694 CB 1.539 86 residues pruned to eliminate duplicates Z: 16 44.126 2.327 1.134 0.820 0.933 0.867 CA 1.862 16 residues pruned to eliminate duplicates Z: 38 39.433 2.231 0.723 0.646 0.919 0.757 CB 1.602 38 residues pruned to eliminate duplicates Z: 131 82.715 2.273 0.923 0.590 0.931 0.708 CB 1.636 131 residues pruned to eliminate duplicates Z: 43 48.282 2.212 0.921 0.638 0.929 0.738 CB 1.659 43 residues pruned to eliminate duplicates Z: 25 18.601 2.026 0.751 0.436 0.792 0.542 CB 1.444 25 residues pruned to eliminate duplicates Z: 80 68.863 2.320 0.960 0.575 0.937 0.671 CB 1.692 80 residues pruned to eliminate duplicates Z: 11 11.585 1.916 0.115 0.794 0.900 0.800 CA 1.473 11 residues pruned to eliminate duplicates Z: 23 18.020 1.935 0.359 0.541 0.909 0.591 CB 1.545 23 residues pruned to eliminate duplicates Z: 109 67.412 2.250 0.843 0.561 0.926 0.639 CB 1.592 109 residues pruned to eliminate duplicates Z: 70 52.437 2.213 0.823 0.622 0.899 0.696 CB 1.552 70 residues pruned to eliminate duplicates Z: 11 13.944 1.950 0.247 0.787 1.000 0.800 CB 1.410 11 residues pruned to eliminate duplicates Z: 46 53.392 2.341 0.954 0.628 0.911 0.578 CB 1.693 46 residues pruned to eliminate duplicates Z: 79 64.403 2.328 0.839 0.588 0.936 0.731 CB 1.673 79 residues pruned to eliminate duplicates Z: 6 4.352 1.720 -0.123 0.586 1.000 0.800 CB 1.189 6 residues pruned to eliminate duplicates Z: 10 19.597 2.122 0.404 0.909 1.000 0.889 CA 1.556 10 residues pruned to eliminate duplicates Z: 6 6.045 1.951 0.456 0.536 0.800 0.400 CB 1.148 6 residues pruned to eliminate duplicates Z: 16 16.942 1.910 1.206 0.453 0.867 0.600 CB 1.257 16 residues pruned to eliminate duplicates Z: 8 10.121 1.920 0.469 0.610 0.857 0.571 CA 1.425 8 residues pruned to eliminate duplicates Z: 14 11.917 2.004 0.722 0.428 0.769 0.615 CB 1.341 14 residues pruned to eliminate duplicates Z: 19 26.868 2.182 0.551 0.732 0.889 0.833 CB 1.709 19 residues pruned to eliminate duplicates Z: 16 24.270 2.241 0.765 0.453 1.000 0.600 CA 1.663 16 residues pruned to eliminate duplicates Z: 11 18.446 2.166 0.828 0.445 0.900 0.700 CB 1.732 11 residues pruned to eliminate duplicates Z: 19 35.701 2.322 0.760 0.727 0.944 0.833 CB 1.777 19 residues pruned to eliminate duplicates Z: 7 2.622 1.663 0.253 0.424 0.667 0.500 CB 0.833 7 residues pruned to eliminate duplicates Z: 36 43.786 2.176 1.054 0.564 0.943 0.800 CB 1.650 36 residues pruned to eliminate duplicates Z: 9 20.470 2.213 0.586 0.853 1.000 0.625 CA 1.524 9 residues pruned to eliminate duplicates Z: 17 38.943 2.343 0.843 0.823 0.938 0.812 CA 1.817 17 residues pruned to eliminate duplicates Z: 20 14.924 1.708 0.685 0.626 0.947 0.579 CB 1.114 Z: 10 14.455 1.877 0.338 0.882 1.000 0.889 CB 1.389 10 residues pruned to eliminate duplicates Z: 12 14.868 1.848 0.374 0.797 0.909 0.545 CB 1.497 12 residues pruned to eliminate duplicates 7 1.974 1.652 0.329 0.231 0.667 0.500 CB 0.754 ? Z: 10 20.961 2.058 1.061 0.766 1.000 0.889 CB 1.301 10 residues pruned to eliminate duplicates Z: 11 16.897 2.020 0.783 0.835 0.900 0.800 CB 1.235 11 residues pruned to eliminate duplicates Z: 42 28.861 2.189 0.539 0.525 0.927 0.659 CB 1.409 42 residues pruned to eliminate duplicates Z: 52 39.732 2.220 0.743 0.619 0.882 0.706 CB 1.455 52 residues pruned to eliminate duplicates Z: 14 33.154 2.309 0.786 0.896 0.923 0.769 CB 1.730 14 residues pruned to eliminate duplicates Z: 86 57.032 2.214 0.707 0.606 0.941 0.659 CB 1.573 86 residues pruned to eliminate duplicates Z: 19 21.499 2.118 0.416 0.575 0.889 0.722 CB 1.769 19 residues pruned to eliminate duplicates Z: 49 57.391 2.333 0.960 0.612 0.938 0.688 CB 1.738 49 residues pruned to eliminate duplicates Z: 16 19.886 2.215 0.751 0.476 0.800 0.600 CA 1.696 16 residues pruned to eliminate duplicates Z: 18 34.512 2.186 0.741 0.831 1.000 0.588 CA 1.653 19 residues pruned to eliminate duplicates Z: 23 18.476 1.894 0.410 0.451 0.955 0.682 CA 1.625 23 residues pruned to eliminate duplicates Z: 52 39.413 2.185 0.682 0.619 0.941 0.549 CB 1.426 52 residues pruned to eliminate duplicates Z: 95 76.861 2.284 0.989 0.615 0.957 0.766 CB 1.635 95 residues pruned to eliminate duplicates Z: 83 61.428 2.229 0.842 0.597 0.951 0.671 CB 1.584 83 residues pruned to eliminate duplicates Z: 12 18.639 2.004 0.656 0.875 0.818 0.818 CB 1.505 12 residues pruned to eliminate duplicates Z: 14 30.592 2.252 0.675 0.856 0.923 0.538 CA 1.796 14 residues pruned to eliminate duplicates Z: 12 24.459 2.048 1.250 0.706 0.818 0.818 CA 1.621 12 residues pruned to eliminate duplicates Z: 100 67.377 2.291 0.886 0.531 0.899 0.707 CB 1.691 100 residues pruned to eliminate duplicates Z: 10 18.012 2.008 0.563 0.908 1.000 0.778 CB 1.358 10 residues pruned to eliminate duplicates Z: 16 13.992 1.742 0.742 0.646 0.867 0.800 CA 1.199 15 residues pruned to eliminate duplicates Z: 20 26.513 2.108 0.601 0.746 0.895 0.684 CA 1.616 20 residues pruned to eliminate duplicates Z: 23 26.714 2.051 0.981 0.591 0.864 0.682 CB 1.487 23 residues pruned to eliminate duplicates Z: 14 19.969 2.048 0.874 0.571 0.923 0.769 CB 1.460 14 residues pruned to eliminate duplicates Z: 13 15.592 1.871 0.905 0.430 0.917 0.583 CA 1.482 13 residues pruned to eliminate duplicates Z: 22 16.245 1.734 0.734 0.628 0.905 0.762 CB 1.155 21 residues pruned to eliminate duplicates Z: 24 13.704 1.626 0.724 0.571 0.913 0.565 CB 1.042 24 residues pruned to eliminate duplicates Z: 17 43.598 2.375 1.072 0.801 0.938 0.500 CB 1.817 17 residues pruned to eliminate duplicates Z: 22 45.796 2.375 1.056 0.639 1.000 0.714 CA 1.798 22 residues pruned to eliminate duplicates Z: 41 24.354 2.107 0.523 0.474 0.900 0.500 CB 1.369 41 residues pruned to eliminate duplicates Z: 71 52.173 2.255 0.806 0.551 0.943 0.729 CB 1.546 71 residues pruned to eliminate duplicates Z: 9 13.994 2.085 0.371 0.843 0.875 0.750 CA 1.472 9 residues pruned to eliminate duplicates Z: 10 17.854 2.122 0.524 0.901 0.889 0.667 CB 1.478 10 residues pruned to eliminate duplicates Z: 20 44.779 2.359 1.053 0.751 0.947 0.684 CB 1.789 20 residues pruned to eliminate duplicates Z: 25 16.711 1.972 0.685 0.372 0.792 0.458 CB 1.487 25 residues pruned to eliminate duplicates Z: 101 54.689 2.220 0.698 0.570 0.920 0.650 CB 1.474 101 residues pruned to eliminate duplicates Z: 63 47.818 2.238 0.894 0.499 0.903 0.677 CB 1.588 63 residues pruned to eliminate duplicates Z: 47 51.595 2.312 0.860 0.625 0.957 0.565 CB 1.644 46 residues pruned to eliminate duplicates Z: 80 71.656 2.317 1.024 0.595 0.937 0.747 CB 1.675 81 residues pruned to eliminate duplicates Z: 42 32.416 2.236 0.562 0.541 0.902 0.610 CB 1.543 42 residues pruned to eliminate duplicates Z: 18 22.474 2.222 0.860 0.465 0.882 0.647 CB 1.548 18 residues pruned to eliminate duplicates Z: 45 56.779 2.295 1.045 0.646 0.955 0.659 CB 1.667 45 residues pruned to eliminate duplicates Z: 80 58.659 2.251 0.796 0.614 0.937 0.671 CB 1.565 80 residues pruned to eliminate duplicates Z: 25 19.294 2.046 0.581 0.564 0.875 0.667 CB 1.308 25 residues pruned to eliminate duplicates Z: 6 3.820 1.692 0.237 0.431 0.600 0.400 C 1.462 6 residues pruned to eliminate duplicates Z: 10 18.395 2.096 0.391 0.879 1.000 0.778 CB 1.525 10 residues pruned to eliminate duplicates Z: 23 14.151 1.722 0.679 0.578 0.864 0.727 CB 1.120 23 residues pruned to eliminate duplicates Z: 17 34.484 2.330 0.597 0.860 1.000 0.812 CA 1.703 17 residues pruned to eliminate duplicates 6 1.659 1.396 -0.152 0.385 1.000 0.400 C 0.708 ? Z: 11 14.418 1.933 0.686 0.609 0.900 0.800 CB 1.402 11 residues pruned to eliminate duplicates Z: 45 60.968 2.348 1.081 0.642 0.955 0.682 CB 1.725 45 residues pruned to eliminate duplicates Z: 10 20.382 2.131 0.978 0.718 0.889 0.889 CB 1.488 10 residues pruned to eliminate duplicates Z: 10 14.522 2.087 0.477 0.891 1.000 0.556 CB 1.129 10 residues pruned to eliminate duplicates Z: 46 58.562 2.325 1.051 0.644 0.956 0.778 CB 1.675 46 residues pruned to eliminate duplicates Z: 32 19.437 1.989 0.440 0.530 0.871 0.548 CB 1.358 32 residues pruned to eliminate duplicates Z: 22 21.901 2.185 0.431 0.534 0.952 0.714 CB 1.553 22 residues pruned to eliminate duplicates Z: 31 28.824 2.120 0.600 0.553 1.000 0.567 CB 1.474 31 residues pruned to eliminate duplicates Z: 45 53.898 2.267 0.894 0.664 0.955 0.795 CB 1.703 45 residues pruned to eliminate duplicates Z: 7 3.453 1.196 0.525 0.535 0.833 0.500 N 0.897 Z: 13 11.633 2.108 0.529 0.391 0.833 0.500 CA 1.404 13 residues pruned to eliminate duplicates Z: 55 46.694 2.186 0.960 0.549 0.907 0.741 CB 1.558 55 residues pruned to eliminate duplicates Z: 12 10.748 1.793 0.339 0.571 1.000 0.636 CB 1.261 12 residues pruned to eliminate duplicates Z: 6 6.647 1.647 0.352 0.636 1.000 0.800 C 1.176 6 residues pruned to eliminate duplicates Z: 24 34.069 2.150 0.917 0.594 0.957 0.739 CB 1.647 24 residues pruned to eliminate duplicates Z: 73 54.459 2.225 0.699 0.621 0.944 0.667 CB 1.604 73 residues pruned to eliminate duplicates Z: 23 12.112 1.593 0.544 0.614 0.955 0.773 CB 0.988 23 residues pruned to eliminate duplicates Z: 16 37.049 2.378 0.880 0.711 1.000 0.933 CB 1.767 16 residues pruned to eliminate duplicates Z: 55 43.254 2.263 0.645 0.598 0.944 0.667 CB 1.525 55 residues pruned to eliminate duplicates Z: 48 49.794 2.246 0.972 0.577 0.979 0.766 CB 1.557 48 residues pruned to eliminate duplicates Z: 48 39.731 2.200 0.661 0.653 0.915 0.681 CB 1.504 48 residues pruned to eliminate duplicates Z: 27 21.441 2.117 0.464 0.535 0.962 0.538 CB 1.364 27 residues pruned to eliminate duplicates Z: 32 41.886 2.328 0.978 0.583 0.871 0.516 CB 1.732 32 residues pruned to eliminate duplicates Z: 15 21.802 2.194 0.534 0.823 0.929 0.571 CB 1.409 15 residues pruned to eliminate duplicates Z: 10 16.813 2.030 0.970 0.495 0.889 0.667 CB 1.585 10 residues pruned to eliminate duplicates Z: 87 71.540 2.307 0.951 0.594 0.942 0.733 CB 1.663 87 residues pruned to eliminate duplicates Z: 16 11.446 1.908 0.471 0.327 0.867 0.733 CA 1.470 16 residues pruned to eliminate duplicates Z: 6 11.556 1.726 1.158 0.845 1.000 1.000 CA 1.031 6 residues pruned to eliminate duplicates Z: 52 33.781 2.157 0.787 0.431 0.843 0.647 CB 1.563 52 residues pruned to eliminate duplicates Z: 18 19.271 1.984 1.100 0.516 0.824 0.588 CB 1.341 18 residues pruned to eliminate duplicates Z: 19 27.805 2.234 0.793 0.549 0.889 0.778 CB 1.755 19 residues pruned to eliminate duplicates Z: 6 3.189 1.358 0.472 0.692 0.800 0.600 CB 0.748 Z: 13 11.511 1.776 0.354 0.552 1.000 0.417 CA 1.313 13 residues pruned to eliminate duplicates Z: 43 48.865 2.225 0.897 0.644 0.929 0.762 CA 1.682 43 residues pruned to eliminate duplicates Z: 35 28.885 2.135 0.692 0.465 0.971 0.735 CB 1.464 35 residues pruned to eliminate duplicates Z: 6 2.680 1.438 0.181 0.298 0.800 0.600 N 1.105 Z: 29 24.239 2.061 0.551 0.615 0.929 0.679 CB 1.384 29 residues pruned to eliminate duplicates Z: 22 17.145 1.742 0.851 0.652 0.905 0.762 CB 1.114 22 residues pruned to eliminate duplicates Z: 21 19.176 2.313 0.239 0.528 0.850 0.650 CB 1.712 21 residues pruned to eliminate duplicates Z: 17 42.613 2.395 0.946 0.836 0.938 0.750 CA 1.826 17 residues pruned to eliminate duplicates Z: 11 6.677 1.744 0.564 0.301 0.800 0.300 CB 1.207 11 residues pruned to eliminate duplicates Z: 115 54.477 2.172 0.658 0.555 0.912 0.605 CB 1.472 115 residues pruned to eliminate duplicates Z: 47 28.809 2.154 0.632 0.503 0.891 0.565 CB 1.352 47 residues pruned to eliminate duplicates 7 0.913 1.228 0.425 0.332 0.667 0.500 CB 0.384 ? Z: 84 49.062 2.164 0.748 0.570 0.892 0.614 CB 1.493 84 residues pruned to eliminate duplicates Z: 19 21.942 1.991 0.857 0.627 0.889 0.722 CB 1.396 19 residues pruned to eliminate duplicates Z: 68 44.527 2.155 0.732 0.558 0.955 0.642 CB 1.442 68 residues pruned to eliminate duplicates Z: 6 5.154 1.467 0.641 0.379 1.000 0.600 C 1.089 Z: 22 13.809 1.697 0.492 0.640 0.952 0.762 CB 1.096 22 residues pruned to eliminate duplicates Z: 36 30.821 2.168 0.670 0.459 0.914 0.657 CB 1.641 36 residues pruned to eliminate duplicates Z: 20 10.658 1.870 0.640 0.289 0.789 0.579 CB 1.280 20 residues pruned to eliminate duplicates Z: 7 4.101 1.772 0.364 0.338 0.667 0.333 CB 1.239 7 residues pruned to eliminate duplicates Z: 84 60.082 2.234 0.792 0.590 0.964 0.639 CB 1.568 84 residues pruned to eliminate duplicates Z: 7 5.906 1.736 0.191 0.575 0.833 0.833 CB 1.302 7 residues pruned to eliminate duplicates Z: 25 17.541 1.871 0.363 0.544 0.958 0.583 CB 1.403 25 residues pruned to eliminate duplicates Z: 11 5.030 1.413 0.491 0.345 0.800 0.500 CA 1.117 11 residues pruned to eliminate duplicates Z: 11 15.383 2.015 0.367 0.859 0.900 0.700 CB 1.444 11 residues pruned to eliminate duplicates Z: 35 17.687 1.986 0.383 0.486 0.853 0.471 CB 1.313 35 residues pruned to eliminate duplicates Z: 45 53.407 2.338 1.010 0.613 0.909 0.659 CB 1.694 45 residues pruned to eliminate duplicates Z: 26 20.960 2.206 0.470 0.416 0.840 0.640 CB 1.680 26 residues pruned to eliminate duplicates Z: 11 16.303 1.874 0.737 0.585 0.900 0.800 CB 1.622 11 residues pruned to eliminate duplicates Z: 20 20.745 2.205 0.746 0.536 0.947 0.737 CB 1.260 20 residues pruned to eliminate duplicates Z: 91 73.541 2.267 1.020 0.574 0.944 0.778 CB 1.668 91 residues pruned to eliminate duplicates Z: 17 12.578 1.869 0.500 0.555 0.875 0.562 CB 1.215 16 residues pruned to eliminate duplicates Z: 80 65.503 2.264 0.958 0.589 0.949 0.797 CB 1.609 87 residues pruned to eliminate duplicates Z: 126 87.254 2.303 0.928 0.600 0.968 0.720 CB 1.652 126 residues pruned to eliminate duplicates Z: 47 41.038 2.184 0.783 0.630 0.957 0.674 CB 1.438 47 residues pruned to eliminate duplicates Z: 11 31.404 2.302 0.756 0.897 1.000 0.700 CB 1.759 11 residues pruned to eliminate duplicates Z: 14 16.029 2.005 0.501 0.622 0.923 0.538 CB 1.427 14 residues pruned to eliminate duplicates Z: 73 50.449 2.186 0.812 0.609 0.889 0.750 CB 1.523 73 residues pruned to eliminate duplicates Z: 12 6.969 1.446 0.433 0.438 1.000 0.636 CB 1.080 12 residues pruned to eliminate duplicates Z: 44 51.218 2.318 0.849 0.617 0.953 0.651 CB 1.711 44 residues pruned to eliminate duplicates Z: 11 20.472 2.132 0.563 0.656 1.000 1.000 CA 1.681 11 residues pruned to eliminate duplicates Z: 11 29.955 2.148 1.286 0.806 0.900 0.900 CA 1.641 11 residues pruned to eliminate duplicates Z: 23 16.903 1.753 0.761 0.606 0.909 0.727 CB 1.161 23 residues pruned to eliminate duplicates Z: 22 22.826 2.239 0.560 0.518 0.905 0.429 CB 1.548 22 residues pruned to eliminate duplicates Z: 6 7.608 1.747 0.745 0.543 1.000 0.800 CB 1.070 Z: 22 13.955 1.693 0.536 0.572 0.952 0.714 CB 1.147 22 residues pruned to eliminate duplicates Z: 33 47.115 2.254 0.935 0.689 0.938 0.688 CB 1.713 33 residues pruned to eliminate duplicates Z: 21 34.394 2.203 0.832 0.664 1.000 0.700 CB 1.637 21 residues pruned to eliminate duplicates Z: 16 26.375 2.173 0.601 0.842 1.000 0.733 CB 1.458 16 residues pruned to eliminate duplicates Z: 8 4.419 1.699 0.121 0.276 0.857 0.429 CB 1.319 8 residues pruned to eliminate duplicates Z: 6 4.098 1.566 0.340 0.644 1.000 0.400 CB 0.764 Z: 9 11.972 1.874 0.674 0.680 0.875 0.625 CB 1.307 9 residues pruned to eliminate duplicates Z: 23 19.132 2.198 0.747 0.445 0.955 0.636 CB 1.177 23 residues pruned to eliminate duplicates Z: 19 18.581 2.037 0.595 0.637 0.889 0.333 CB 1.333 19 residues pruned to eliminate duplicates Z: 86 56.569 2.204 0.865 0.574 0.918 0.729 CB 1.515 86 residues pruned to eliminate duplicates Z: 9 9.586 1.982 0.606 0.470 0.875 0.750 CB 1.254 9 residues pruned to eliminate duplicates Z: 34 36.025 2.123 1.030 0.502 0.939 0.636 CB 1.546 34 residues pruned to eliminate duplicates Z: 19 23.928 1.936 0.935 0.630 0.944 0.833 CB 1.411 19 residues pruned to eliminate duplicates Z: 61 45.338 2.219 0.540 0.589 0.983 0.683 CB 1.600 61 residues pruned to eliminate duplicates Z: 6 7.282 1.897 0.348 0.810 1.000 0.800 CB 0.972 6 residues pruned to eliminate duplicates Z: 21 14.888 1.763 0.676 0.591 0.950 0.700 CB 1.086 21 residues pruned to eliminate duplicates Z: 31 23.328 2.136 0.520 0.482 0.933 0.567 CB 1.431 31 residues pruned to eliminate duplicates Z: 62 56.378 2.360 0.881 0.550 0.902 0.672 CB 1.717 62 residues pruned to eliminate duplicates Z: 16 20.090 2.110 0.182 0.837 1.000 0.800 CB 1.555 16 residues pruned to eliminate duplicates Z: 9 3.303 1.495 0.374 0.354 0.750 0.500 CB 0.887 Z: 21 21.058 2.109 0.510 0.517 0.950 0.700 CB 1.530 21 residues pruned to eliminate duplicates Z: 11 15.121 1.951 0.717 0.573 0.900 0.600 CB 1.479 11 residues pruned to eliminate duplicates Z: 16 26.548 2.139 0.495 0.859 1.000 0.933 CB 1.577 16 residues pruned to eliminate duplicates Z: 9 4.659 1.754 0.359 0.279 0.750 0.250 CB 1.183 9 residues pruned to eliminate duplicates Z: 39 36.968 2.143 0.712 0.605 0.947 0.711 CB 1.562 39 residues pruned to eliminate duplicates Z: 40 33.366 2.150 0.980 0.484 0.795 0.564 CB 1.605 40 residues pruned to eliminate duplicates Z: 12 6.271 1.593 0.567 0.319 0.818 0.545 N 1.130 12 residues pruned to eliminate duplicates 6 1.612 1.067 0.139 0.372 1.000 0.800 CB 0.681 ? Z: 52 31.517 2.059 0.709 0.522 0.843 0.608 CB 1.455 85 residues pruned to eliminate duplicates Z: 23 23.484 1.999 0.831 0.594 0.909 0.727 CB 1.376 23 residues pruned to eliminate duplicates Z: 14 34.110 2.340 0.815 0.874 1.000 0.692 CB 1.621 14 residues pruned to eliminate duplicates Z: 61 40.070 2.092 0.754 0.536 0.900 0.683 CB 1.512 61 residues pruned to eliminate duplicates Z: 6 14.074 1.907 0.487 0.775 1.000 0.600 O 1.742 6 residues pruned to eliminate duplicates Z: 81 62.540 2.241 0.957 0.560 0.938 0.663 CB 1.605 81 residues pruned to eliminate duplicates Z: 32 19.452 2.078 0.343 0.492 0.903 0.484 CB 1.397 32 residues pruned to eliminate duplicates Z: 18 18.566 2.276 0.625 0.474 0.824 0.588 CA 1.518 18 residues pruned to eliminate duplicates Z: 38 44.779 2.238 0.855 0.531 1.000 0.730 CB 1.720 38 residues pruned to eliminate duplicates Z: 24 15.875 1.941 0.500 0.442 0.913 0.609 CB 1.322 Z: 12 12.295 1.677 0.981 0.687 0.909 0.818 CB 1.034 12 residues pruned to eliminate duplicates Z: 10 9.235 1.751 0.543 0.790 0.889 0.556 CA 0.993 10 residues pruned to eliminate duplicates Z: 33 57.104 2.320 1.067 0.715 0.969 0.844 CA 1.788 33 residues pruned to eliminate duplicates Z: 130 74.604 2.270 0.783 0.597 0.922 0.643 CB 1.604 130 residues pruned to eliminate duplicates Z: 9 4.369 1.313 0.088 0.621 1.000 0.750 O 0.964 Z: 26 22.165 1.900 0.816 0.526 0.920 0.640 CB 1.361 26 residues pruned to eliminate duplicates Z: 12 13.800 2.079 0.300 0.758 0.909 0.727 CB 1.347 12 residues pruned to eliminate duplicates Z: 12 15.200 2.014 0.756 0.517 0.818 0.636 CB 1.557 12 residues pruned to eliminate duplicates Z: 83 52.620 2.184 0.860 0.562 0.890 0.646 CB 1.513 79 residues pruned to eliminate duplicates Z: 10 15.649 1.981 0.684 0.662 1.000 0.889 CB 1.347 10 residues pruned to eliminate duplicates Z: 9 4.995 1.400 0.565 0.488 0.875 0.625 CB 0.933 Using tripeptides from previous cycle as seeds Z: 6 4.872 1.788 0.170 0.638 1.000 0.600 CB 0.915 Z: 18 29.825 2.271 0.627 0.753 0.941 0.765 CB 1.660 17 residues pruned to eliminate duplicates Z: 21 26.378 2.079 0.662 0.711 0.900 0.500 CA 1.566 21 residues pruned to eliminate duplicates Z: 16 33.571 2.371 0.649 0.827 0.933 0.800 CB 1.790 18 residues pruned to eliminate duplicates Z: 17 33.580 2.358 0.779 0.816 0.875 0.562 CA 1.738 17 residues pruned to eliminate duplicates Z: 129 79.964 2.278 0.879 0.578 0.922 0.719 CB 1.662 127 residues pruned to eliminate duplicates Z: 18 29.273 2.251 0.713 0.742 0.882 0.471 CA 1.681 18 residues pruned to eliminate duplicates Z: 89 74.000 2.308 0.954 0.570 0.932 0.682 CB 1.754 89 residues pruned to eliminate duplicates Z: 52 44.056 2.197 0.812 0.567 0.882 0.647 CA 1.647 52 residues pruned to eliminate duplicates Z: 80 72.028 2.302 1.021 0.561 0.962 0.684 CB 1.707 80 residues pruned to eliminate duplicates Z: 18 30.950 2.271 0.680 0.793 0.882 0.765 CA 1.725 18 residues pruned to eliminate duplicates Z: 44 54.752 2.371 0.806 0.580 1.000 0.674 CB 1.806 44 residues pruned to eliminate duplicates Z: 46 49.230 2.332 0.866 0.545 0.911 0.667 CB 1.772 46 residues pruned to eliminate duplicates Z: 81 63.824 2.299 0.879 0.542 0.925 0.700 CB 1.714 81 residues pruned to eliminate duplicates Z: 131 78.730 2.275 0.830 0.580 0.938 0.715 CB 1.637 131 residues pruned to eliminate duplicates Z: 44 53.890 2.326 0.995 0.589 0.930 0.651 CB 1.748 44 residues pruned to eliminate duplicates Z: 54 46.091 2.243 0.788 0.534 0.887 0.623 CB 1.721 54 residues pruned to eliminate duplicates Z: 80 66.073 2.318 0.869 0.558 0.937 0.709 CB 1.732 80 residues pruned to eliminate duplicates Z: 101 72.601 2.273 0.956 0.541 0.940 0.650 CB 1.668 101 residues pruned to eliminate duplicates Z: 131 78.615 2.278 0.837 0.569 0.931 0.669 CB 1.656 131 residues pruned to eliminate duplicates Z: 49 51.864 2.324 0.884 0.579 0.917 0.750 CB 1.730 49 residues pruned to eliminate duplicates Z: 45 53.020 2.342 0.936 0.592 0.932 0.682 CB 1.731 45 residues pruned to eliminate duplicates Z: 47 48.314 2.312 0.816 0.547 0.935 0.630 CB 1.734 47 residues pruned to eliminate duplicates Z: 44 49.593 2.328 0.912 0.562 0.907 0.651 CA 1.764 44 residues pruned to eliminate duplicates Z: 79 69.196 2.313 1.000 0.553 0.923 0.705 CB 1.742 79 residues pruned to eliminate duplicates Z: 44 50.840 2.344 0.847 0.600 0.930 0.674 CB 1.750 44 residues pruned to eliminate duplicates Z: 131 81.955 2.283 0.874 0.573 0.946 0.715 CB 1.654 131 residues pruned to eliminate duplicates Z: 7 7.761 1.767 0.420 0.498 1.000 0.833 N 1.264 7 residues pruned to eliminate duplicates Z: 83 66.337 2.300 0.892 0.549 0.939 0.707 CB 1.709 83 residues pruned to eliminate duplicates Z: 45 55.702 2.301 1.002 0.613 0.955 0.705 CB 1.716 45 residues pruned to eliminate duplicates Z: 134 79.462 2.252 0.862 0.569 0.940 0.692 CB 1.636 134 residues pruned to eliminate duplicates Z: 83 64.109 2.275 0.901 0.536 0.927 0.707 CB 1.705 83 residues pruned to eliminate duplicates Z: 81 71.235 2.313 1.001 0.562 0.925 0.700 CB 1.752 81 residues pruned to eliminate duplicates Z: 45 51.116 2.336 0.882 0.579 0.909 0.705 CB 1.786 45 residues pruned to eliminate duplicates Z: 14 20.227 2.267 0.736 0.483 0.846 0.769 CB 1.713 14 residues pruned to eliminate duplicates Z: 101 78.103 2.267 0.973 0.575 0.950 0.740 CB 1.709 101 residues pruned to eliminate duplicates Z: 13 24.130 2.387 0.901 0.534 0.833 0.667 CA 1.782 13 residues pruned to eliminate duplicates Z: 51 52.771 2.279 0.893 0.564 0.940 0.700 CB 1.730 51 residues pruned to eliminate duplicates Z: 63 54.168 2.262 1.021 0.511 0.903 0.710 CB 1.647 63 residues pruned to eliminate duplicates Z: 73 54.607 2.266 0.862 0.481 0.903 0.611 CB 1.722 40 residues pruned to eliminate duplicates Z: 6 11.296 1.862 1.206 0.415 1.000 0.600 CA 1.344 6 residues pruned to eliminate duplicates Z: 131 82.202 2.279 0.901 0.587 0.931 0.746 CB 1.645 131 residues pruned to eliminate duplicates Z: 50 46.911 2.253 0.835 0.573 0.918 0.612 CB 1.645 50 residues pruned to eliminate duplicates Z: 132 84.050 2.263 0.901 0.606 0.939 0.702 CB 1.645 92 residues pruned to eliminate duplicates Z: 6 4.323 2.127 0.483 0.242 0.600 0.600 CA 1.378 6 residues pruned to eliminate duplicates Z: 81 64.748 2.265 0.933 0.537 0.938 0.738 CB 1.701 81 residues pruned to eliminate duplicates Z: 49 47.176 2.230 0.933 0.534 0.917 0.750 CB 1.666 49 residues pruned to eliminate duplicates Z: 80 62.693 2.282 0.877 0.547 0.937 0.671 CB 1.680 80 residues pruned to eliminate duplicates Z: 48 49.365 2.278 0.903 0.512 0.979 0.745 CB 1.677 48 residues pruned to eliminate duplicates Z: 49 43.342 2.292 0.864 0.489 0.917 0.667 CB 1.615 49 residues pruned to eliminate duplicates Z: 99 60.059 2.234 0.752 0.559 0.918 0.663 CB 1.594 99 residues pruned to eliminate duplicates Z: 59 48.158 2.183 0.944 0.509 0.948 0.655 CB 1.558 59 residues pruned to eliminate duplicates Z: 80 66.287 2.288 0.840 0.585 0.949 0.747 CB 1.719 80 residues pruned to eliminate duplicates Z: 36 32.231 2.146 0.765 0.516 0.914 0.686 CB 1.548 36 residues pruned to eliminate duplicates Z: 36 39.521 2.241 0.827 0.509 0.971 0.686 CB 1.664 36 residues pruned to eliminate duplicates Z: 87 59.836 2.227 0.837 0.564 0.930 0.698 CB 1.593 87 residues pruned to eliminate duplicates Z: 89 61.922 2.226 0.869 0.570 0.932 0.727 CB 1.591 89 residues pruned to eliminate duplicates Z: 82 65.690 2.246 0.899 0.597 0.963 0.728 CB 1.620 82 residues pruned to eliminate duplicates Z: 37 45.479 2.258 1.030 0.548 0.944 0.750 CB 1.671 37 residues pruned to eliminate duplicates Z: 85 56.890 2.211 0.894 0.565 0.905 0.679 CB 1.538 85 residues pruned to eliminate duplicates Z: 46 53.125 2.333 0.952 0.538 0.978 0.644 CB 1.713 46 residues pruned to eliminate duplicates Z: 37 42.896 2.247 0.926 0.532 0.972 0.778 CB 1.646 37 residues pruned to eliminate duplicates Z: 33 40.748 2.207 1.187 0.540 0.906 0.719 CB 1.584 33 residues pruned to eliminate duplicates Z: 37 47.946 2.291 1.059 0.545 0.972 0.722 CB 1.667 37 residues pruned to eliminate duplicates Z: 88 57.731 2.190 0.855 0.561 0.908 0.678 CB 1.581 88 residues pruned to eliminate duplicates Z: 80 61.767 2.257 0.852 0.599 0.937 0.696 CB 1.615 80 residues pruned to eliminate duplicates Z: 90 58.334 2.194 0.810 0.582 0.910 0.697 CB 1.581 90 residues pruned to eliminate duplicates Z: 37 35.211 2.218 0.838 0.498 0.889 0.583 CB 1.622 37 residues pruned to eliminate duplicates Z: 88 61.240 2.246 0.893 0.567 0.897 0.667 CB 1.615 88 residues pruned to eliminate duplicates Z: 37 47.192 2.257 0.994 0.530 1.000 0.778 CB 1.697 37 residues pruned to eliminate duplicates Z: 42 40.849 2.187 0.877 0.494 0.951 0.610 CB 1.644 42 residues pruned to eliminate duplicates Z: 80 77.593 2.311 1.069 0.601 0.949 0.759 CB 1.746 80 residues pruned to eliminate duplicates Z: 34 40.490 2.222 1.089 0.518 0.909 0.667 CB 1.642 34 residues pruned to eliminate duplicates Z: 37 45.393 2.248 1.007 0.551 0.972 0.722 CB 1.641 37 residues pruned to eliminate duplicates Z: 79 66.002 2.284 0.897 0.573 0.962 0.808 CB 1.672 81 residues pruned to eliminate duplicates Z: 6 5.726 1.599 1.171 0.345 1.000 0.400 N 0.874 Z: 6 4.753 1.760 0.684 0.325 0.800 0.800 CA 1.087 12 residues pruned to eliminate duplicates Z: 89 61.322 2.222 0.910 0.579 0.898 0.670 CB 1.590 89 residues pruned to eliminate duplicates Z: 55 40.916 2.162 0.910 0.483 0.926 0.667 CB 1.481 55 residues pruned to eliminate duplicates Z: 55 52.388 2.230 0.981 0.563 0.944 0.796 CB 1.607 55 residues pruned to eliminate duplicates Z: 100 73.558 2.269 0.972 0.560 0.939 0.707 CB 1.660 100 residues pruned to eliminate duplicates Z: 130 83.990 2.275 0.917 0.593 0.946 0.682 CB 1.641 130 residues pruned to eliminate duplicates Z: 127 75.219 2.239 0.898 0.566 0.929 0.690 CB 1.593 127 residues pruned to eliminate duplicates Z: 68 55.491 2.249 1.058 0.532 0.910 0.776 CB 1.559 68 residues pruned to eliminate duplicates Z: 132 78.535 2.251 0.853 0.576 0.939 0.672 CB 1.627 132 residues pruned to eliminate duplicates Z: 76 64.227 2.256 0.910 0.622 0.960 0.787 CB 1.598 76 residues pruned to eliminate duplicates Z: 50 34.071 2.125 0.741 0.532 0.898 0.633 CB 1.421 50 residues pruned to eliminate duplicates Z: 51 35.006 2.064 0.710 0.551 0.920 0.580 CB 1.450 51 residues pruned to eliminate duplicates Z: 83 58.789 2.239 0.875 0.586 0.902 0.695 CB 1.579 83 residues pruned to eliminate duplicates Z: 84 61.458 2.251 0.847 0.573 0.952 0.723 CB 1.588 84 residues pruned to eliminate duplicates Z: 16 15.022 1.990 0.821 0.469 0.867 0.667 CB 1.275 16 residues pruned to eliminate duplicates Z: 47 36.138 2.165 0.732 0.592 0.870 0.652 CB 1.497 47 residues pruned to eliminate duplicates Z: 82 63.151 2.249 0.921 0.601 0.926 0.753 CB 1.593 82 residues pruned to eliminate duplicates Z: 87 62.529 2.248 0.908 0.583 0.907 0.721 CB 1.601 87 residues pruned to eliminate duplicates Z: 50 56.075 2.266 1.127 0.584 0.939 0.837 CB 1.633 50 residues pruned to eliminate duplicates Z: 40 33.693 2.204 0.623 0.620 0.872 0.590 CB 1.545 40 residues pruned to eliminate duplicates Z: 88 52.529 2.211 0.760 0.546 0.885 0.621 CB 1.563 86 residues pruned to eliminate duplicates Z: 6 3.230 1.555 0.175 0.297 0.800 0.400 CB 1.240 6 residues pruned to eliminate duplicates Z: 126 73.928 2.278 0.811 0.568 0.936 0.720 CB 1.603 126 residues pruned to eliminate duplicates Z: 82 62.270 2.252 0.943 0.599 0.901 0.728 CB 1.597 82 residues pruned to eliminate duplicates Z: 32 30.578 2.150 0.631 0.608 0.903 0.645 CB 1.565 32 residues pruned to eliminate duplicates Z: 85 54.777 2.219 0.751 0.561 0.929 0.702 CB 1.561 85 residues pruned to eliminate duplicates Z: 85 67.496 2.267 0.930 0.609 0.940 0.726 CB 1.614 91 residues pruned to eliminate duplicates Z: 15 34.858 2.334 0.810 0.852 1.000 0.786 CB 1.632 15 residues pruned to eliminate duplicates Z: 42 33.577 2.130 0.669 0.625 0.878 0.683 CB 1.492 42 residues pruned to eliminate duplicates Z: 87 65.136 2.239 0.918 0.585 0.942 0.756 CB 1.600 87 residues pruned to eliminate duplicates Z: 47 38.219 2.158 0.719 0.595 0.957 0.652 CB 1.450 41 residues pruned to eliminate duplicates Z: 15 37.611 2.369 0.757 0.876 1.000 0.786 CB 1.756 15 residues pruned to eliminate duplicates Z: 46 35.125 2.161 0.721 0.593 0.889 0.556 CB 1.449 46 residues pruned to eliminate duplicates Z: 131 86.449 2.275 0.956 0.584 0.954 0.654 CB 1.648 131 residues pruned to eliminate duplicates Z: 88 59.871 2.226 0.826 0.565 0.931 0.701 CB 1.593 88 residues pruned to eliminate duplicates Z: 29 40.721 2.286 0.735 0.723 0.964 0.536 CB 1.645 29 residues pruned to eliminate duplicates Z: 78 56.722 2.238 0.840 0.595 0.922 0.675 CB 1.554 78 residues pruned to eliminate duplicates Z: 88 59.827 2.220 0.866 0.557 0.954 0.667 CB 1.536 88 residues pruned to eliminate duplicates Z: 26 42.738 2.281 0.793 0.802 0.960 0.760 CB 1.671 26 residues pruned to eliminate duplicates Z: 125 83.034 2.296 0.911 0.589 0.927 0.718 CB 1.683 125 residues pruned to eliminate duplicates Z: 131 84.820 2.273 0.970 0.596 0.931 0.738 CB 1.628 131 residues pruned to eliminate duplicates Z: 88 55.153 2.184 0.823 0.545 0.931 0.621 CB 1.526 88 residues pruned to eliminate duplicates Z: 29 36.536 2.282 0.562 0.741 0.929 0.679 CB 1.680 29 residues pruned to eliminate duplicates Z: 83 62.381 2.245 0.874 0.598 0.939 0.732 CB 1.588 83 residues pruned to eliminate duplicates Z: 45 33.706 2.125 0.713 0.568 0.909 0.614 CB 1.438 45 residues pruned to eliminate duplicates Z: 86 62.973 2.239 0.903 0.581 0.929 0.659 CB 1.595 86 residues pruned to eliminate duplicates Z: 36 30.574 2.071 0.553 0.640 0.943 0.714 CB 1.495 36 residues pruned to eliminate duplicates Z: 34 33.603 2.160 0.578 0.694 0.939 0.636 CB 1.531 34 residues pruned to eliminate duplicates Z: 91 61.760 2.172 0.905 0.598 0.956 0.700 CB 1.499 91 residues pruned to eliminate duplicates Z: 22 30.079 2.054 0.819 0.641 1.000 0.667 CB 1.539 22 residues pruned to eliminate duplicates Z: 23 24.506 1.949 0.862 0.634 0.864 0.727 CB 1.470 23 residues pruned to eliminate duplicates Z: 23 25.428 2.032 0.843 0.603 0.909 0.727 CB 1.444 23 residues pruned to eliminate duplicates Z: 23 26.844 2.035 0.806 0.602 0.955 0.682 CB 1.481 23 residues pruned to eliminate duplicates Z: 22 29.946 2.056 1.014 0.635 0.905 0.810 CB 1.537 22 residues pruned to eliminate duplicates Z: 23 25.729 2.027 0.867 0.582 0.955 0.636 CB 1.402 23 residues pruned to eliminate duplicates Z: 24 24.405 1.947 0.955 0.578 0.870 0.652 CB 1.426 24 residues pruned to eliminate duplicates Z: 17 25.501 2.052 1.240 0.623 0.812 0.750 CB 1.520 17 residues pruned to eliminate duplicates Z: 23 27.227 2.028 0.940 0.639 0.864 0.773 CB 1.499 23 residues pruned to eliminate duplicates Z: 23 28.540 2.007 1.027 0.590 0.955 0.773 CB 1.437 23 residues pruned to eliminate duplicates Z: 24 23.485 1.977 0.810 0.581 0.913 0.739 CB 1.386 24 residues pruned to eliminate duplicates Z: 7 3.456 1.556 0.375 0.436 0.833 0.333 CB 0.845 7 residues pruned to eliminate duplicates Z: 25 26.489 1.983 0.979 0.556 0.917 0.625 CB 1.424 25 residues pruned to eliminate duplicates Z: 23 26.611 2.019 0.976 0.592 0.909 0.727 CB 1.432 23 residues pruned to eliminate duplicates Z: 22 28.055 2.033 0.932 0.585 0.952 0.667 CB 1.509 22 residues pruned to eliminate duplicates Z: 19 45.148 2.369 1.204 0.732 0.889 0.556 CA 1.862 20 residues pruned to eliminate duplicates Z: 20 32.099 2.253 0.711 0.746 0.947 0.684 CA 1.618 20 residues pruned to eliminate duplicates Z: 33 51.514 2.375 0.933 0.655 0.938 0.656 CB 1.832 33 residues pruned to eliminate duplicates Z: 34 53.358 2.338 0.889 0.668 1.000 0.727 CB 1.801 33 residues pruned to eliminate duplicates Z: 16 47.632 2.465 0.889 0.828 1.000 0.800 CB 1.988 16 residues pruned to eliminate duplicates Z: 42 40.336 2.257 1.009 0.524 0.854 0.634 CB 1.590 42 residues pruned to eliminate duplicates Z: 37 47.461 2.368 0.959 0.550 0.917 0.583 CB 1.771 37 residues pruned to eliminate duplicates Z: 121 77.767 2.300 0.827 0.574 0.933 0.633 CB 1.686 121 residues pruned to eliminate duplicates Z: 34 49.412 2.322 1.010 0.606 0.939 0.636 CA 1.773 34 residues pruned to eliminate duplicates Z: 33 60.103 2.395 1.168 0.648 1.000 0.562 CB 1.783 34 residues pruned to eliminate duplicates Z: 17 50.124 2.377 1.033 0.838 1.000 0.750 CB 1.938 17 residues pruned to eliminate duplicates Z: 33 55.292 2.379 1.026 0.613 1.000 0.562 CA 1.822 33 residues pruned to eliminate duplicates Z: 45 52.459 2.364 0.958 0.584 0.886 0.614 CB 1.778 45 residues pruned to eliminate duplicates Z: 34 54.305 2.347 1.083 0.624 0.970 0.485 CB 1.774 34 residues pruned to eliminate duplicates Z: 47 58.332 2.354 1.031 0.606 0.957 0.652 CB 1.701 47 residues pruned to eliminate duplicates Z: 46 57.320 2.367 0.963 0.625 0.933 0.600 CB 1.752 46 residues pruned to eliminate duplicates Z: 36 51.158 2.309 1.029 0.635 0.943 0.600 CB 1.725 36 residues pruned to eliminate duplicates Z: 46 58.319 2.398 0.931 0.593 0.978 0.689 CB 1.756 46 residues pruned to eliminate duplicates Z: 164 79.136 2.258 0.778 0.590 0.908 0.632 CB 1.561 164 residues pruned to eliminate duplicates Z: 33 55.493 2.386 1.097 0.664 0.938 0.750 CB 1.796 33 residues pruned to eliminate duplicates Z: 33 54.161 2.388 1.050 0.636 0.969 0.781 CB 1.777 33 residues pruned to eliminate duplicates Z: 46 58.159 2.384 1.004 0.614 0.956 0.689 CB 1.705 46 residues pruned to eliminate duplicates Z: 46 58.955 2.309 1.118 0.628 0.933 0.578 CB 1.707 46 residues pruned to eliminate duplicates Z: 46 56.290 2.362 0.994 0.621 0.933 0.689 CB 1.704 46 residues pruned to eliminate duplicates Z: 48 54.591 2.317 0.962 0.599 0.936 0.638 CB 1.703 48 residues pruned to eliminate duplicates Z: 36 55.237 2.311 1.068 0.650 0.971 0.686 CB 1.748 36 residues pruned to eliminate duplicates Z: 33 57.378 2.391 1.087 0.672 0.969 0.688 CB 1.791 33 residues pruned to eliminate duplicates Z: 34 54.995 2.351 1.060 0.690 0.939 0.727 CB 1.769 34 residues pruned to eliminate duplicates Z: 45 58.028 2.401 0.993 0.610 0.932 0.705 CB 1.767 45 residues pruned to eliminate duplicates Z: 63 63.314 2.334 1.017 0.559 0.952 0.710 CB 1.694 63 residues pruned to eliminate duplicates Z: 44 61.612 2.400 1.102 0.618 0.930 0.698 CB 1.791 44 residues pruned to eliminate duplicates Z: 46 59.493 2.394 1.066 0.595 0.956 0.644 CB 1.714 46 residues pruned to eliminate duplicates Z: 48 51.232 2.332 0.984 0.560 0.936 0.617 CB 1.627 48 residues pruned to eliminate duplicates Z: 61 61.504 2.380 0.959 0.537 0.917 0.650 CB 1.791 61 residues pruned to eliminate duplicates Z: 14 20.402 2.300 0.816 0.491 0.846 0.615 CB 1.616 14 residues pruned to eliminate duplicates Z: 12 23.130 2.360 0.936 0.576 0.818 0.545 CB 1.734 12 residues pruned to eliminate duplicates Z: 50 56.525 2.272 1.024 0.595 0.959 0.612 CB 1.672 50 residues pruned to eliminate duplicates Z: 13 19.802 2.318 0.886 0.549 0.833 0.667 CB 1.496 13 residues pruned to eliminate duplicates Z: 16 19.139 2.190 0.834 0.480 0.867 0.667 CB 1.448 16 residues pruned to eliminate duplicates Z: 13 23.304 2.319 1.052 0.575 0.833 0.667 CB 1.578 13 residues pruned to eliminate duplicates Z: 122 85.705 2.315 0.936 0.602 0.942 0.702 CB 1.674 122 residues pruned to eliminate duplicates Z: 16 18.024 2.134 0.934 0.470 0.800 0.667 CB 1.453 16 residues pruned to eliminate duplicates Z: 162 78.248 2.240 0.775 0.556 0.919 0.665 CB 1.598 162 residues pruned to eliminate duplicates Z: 99 63.271 2.273 0.791 0.579 0.908 0.653 CB 1.602 99 residues pruned to eliminate duplicates Z: 125 75.877 2.302 0.839 0.571 0.919 0.653 CB 1.634 125 residues pruned to eliminate duplicates Z: 129 79.566 2.299 0.870 0.584 0.930 0.672 CB 1.624 129 residues pruned to eliminate duplicates Z: 135 76.451 2.264 0.838 0.601 0.896 0.709 CB 1.610 135 residues pruned to eliminate duplicates Z: 135 70.924 2.220 0.778 0.556 0.925 0.634 CB 1.588 135 residues pruned to eliminate duplicates Z: 103 58.487 2.227 0.719 0.558 0.912 0.598 CB 1.567 103 residues pruned to eliminate duplicates Z: 97 53.992 2.172 0.721 0.589 0.927 0.656 CB 1.460 97 residues pruned to eliminate duplicates Z: 36 35.480 2.200 0.785 0.523 0.971 0.571 CB 1.537 36 residues pruned to eliminate duplicates Z: 98 59.049 2.236 0.790 0.565 0.907 0.670 CB 1.551 98 residues pruned to eliminate duplicates Z: 118 78.448 2.304 0.897 0.575 0.932 0.726 CB 1.658 118 residues pruned to eliminate duplicates Z: 19 19.496 2.200 0.789 0.407 0.833 0.611 CB 1.545 19 residues pruned to eliminate duplicates Z: 128 85.793 2.314 0.859 0.600 0.961 0.654 CB 1.676 128 residues pruned to eliminate duplicates Z: 82 68.386 2.309 0.901 0.567 0.963 0.654 CB 1.684 82 residues pruned to eliminate duplicates Z: 61 42.918 2.227 0.748 0.499 0.917 0.633 CB 1.554 61 residues pruned to eliminate duplicates Z: 80 59.631 2.265 0.815 0.612 0.924 0.684 CB 1.587 80 residues pruned to eliminate duplicates Z: 53 41.581 2.240 0.748 0.516 0.923 0.654 CB 1.570 53 residues pruned to eliminate duplicates Z: 28 37.981 2.304 0.823 0.593 0.963 0.704 CB 1.653 28 residues pruned to eliminate duplicates Z: 91 52.785 2.187 0.700 0.566 0.922 0.633 CB 1.523 91 residues pruned to eliminate duplicates Z: 85 59.099 2.258 0.734 0.581 0.929 0.667 CB 1.641 85 residues pruned to eliminate duplicates Z: 39 33.969 2.194 0.677 0.499 0.974 0.579 CB 1.540 39 residues pruned to eliminate duplicates Z: 85 53.835 2.232 0.700 0.561 0.917 0.595 CB 1.591 85 residues pruned to eliminate duplicates Z: 51 41.172 2.256 0.808 0.464 0.920 0.560 CB 1.609 51 residues pruned to eliminate duplicates Z: 36 33.733 2.191 0.758 0.500 0.943 0.686 CB 1.571 36 residues pruned to eliminate duplicates Z: 59 37.898 2.085 0.662 0.526 0.948 0.707 CB 1.477 59 residues pruned to eliminate duplicates Z: 81 60.826 2.276 0.756 0.593 0.938 0.675 CB 1.661 81 residues pruned to eliminate duplicates Z: 98 66.119 2.293 0.885 0.560 0.918 0.619 CB 1.597 98 residues pruned to eliminate duplicates Z: 81 73.333 2.323 1.009 0.597 0.950 0.688 CB 1.685 81 residues pruned to eliminate duplicates Z: 49 43.735 2.268 0.967 0.513 0.875 0.688 CB 1.597 49 residues pruned to eliminate duplicates Z: 117 80.984 2.319 0.902 0.592 0.922 0.690 CB 1.693 117 residues pruned to eliminate duplicates Z: 101 61.256 2.242 0.766 0.583 0.910 0.700 CB 1.571 101 residues pruned to eliminate duplicates Z: 87 52.498 2.190 0.754 0.579 0.895 0.663 CB 1.526 87 residues pruned to eliminate duplicates Z: 81 68.150 2.304 0.921 0.583 0.938 0.637 CB 1.696 81 residues pruned to eliminate duplicates Z: 80 50.073 2.213 0.683 0.552 0.924 0.608 CB 1.555 80 residues pruned to eliminate duplicates Z: 38 36.441 2.193 0.729 0.535 1.000 0.730 CB 1.526 38 residues pruned to eliminate duplicates Z: 53 43.411 2.238 0.776 0.529 0.923 0.750 CB 1.595 53 residues pruned to eliminate duplicates Z: 52 49.565 2.289 0.849 0.544 0.941 0.706 CB 1.670 52 residues pruned to eliminate duplicates Z: 82 57.392 2.244 0.794 0.605 0.901 0.741 CB 1.591 82 residues pruned to eliminate duplicates Z: 87 57.668 2.200 0.744 0.606 0.953 0.698 CB 1.536 87 residues pruned to eliminate duplicates Z: 54 43.465 2.216 0.795 0.551 0.925 0.736 CB 1.544 54 residues pruned to eliminate duplicates Z: 48 44.068 2.235 0.755 0.631 0.957 0.596 CB 1.513 48 residues pruned to eliminate duplicates Z: 94 51.385 2.164 0.649 0.547 0.957 0.602 CB 1.490 94 residues pruned to eliminate duplicates Z: 132 77.439 2.270 0.811 0.580 0.954 0.672 CB 1.598 132 residues pruned to eliminate duplicates Z: 49 43.437 2.229 0.781 0.615 0.917 0.625 CB 1.545 49 residues pruned to eliminate duplicates Z: 88 52.171 2.178 0.717 0.564 0.954 0.632 CB 1.474 88 residues pruned to eliminate duplicates Z: 127 79.192 2.309 0.889 0.586 0.921 0.603 CB 1.618 127 residues pruned to eliminate duplicates Z: 83 56.628 2.244 0.768 0.588 0.927 0.695 CB 1.562 83 residues pruned to eliminate duplicates Z: 25 19.573 2.198 0.691 0.462 0.875 0.583 CB 1.277 25 residues pruned to eliminate duplicates Z: 86 55.218 2.223 0.750 0.570 0.941 0.659 CB 1.528 86 residues pruned to eliminate duplicates Z: 97 64.265 2.264 0.806 0.583 0.938 0.656 CB 1.581 97 residues pruned to eliminate duplicates Z: 84 50.328 2.204 0.750 0.511 0.916 0.614 CB 1.547 84 residues pruned to eliminate duplicates Z: 90 56.780 2.207 0.769 0.567 0.955 0.652 CB 1.514 90 residues pruned to eliminate duplicates Z: 74 47.754 2.221 0.747 0.508 0.918 0.671 CB 1.557 74 residues pruned to eliminate duplicates Z: 85 57.320 2.247 0.764 0.580 0.952 0.702 CB 1.534 85 residues pruned to eliminate duplicates Z: 128 74.459 2.278 0.858 0.574 0.913 0.646 CB 1.591 128 residues pruned to eliminate duplicates Z: 85 58.681 2.256 0.831 0.570 0.929 0.667 CB 1.560 85 residues pruned to eliminate duplicates Z: 55 36.744 2.220 0.640 0.558 0.889 0.574 CB 1.460 55 residues pruned to eliminate duplicates Z: 50 33.265 2.132 0.563 0.591 0.898 0.571 CB 1.456 50 residues pruned to eliminate duplicates Z: 87 60.631 2.252 0.802 0.591 0.965 0.674 CB 1.531 87 residues pruned to eliminate duplicates Z: 21 25.310 2.212 0.660 0.545 0.900 0.650 CB 1.638 21 residues pruned to eliminate duplicates Z: 52 45.573 2.258 0.727 0.616 0.941 0.706 CB 1.557 52 residues pruned to eliminate duplicates Z: 130 62.489 2.213 0.753 0.547 0.899 0.597 CB 1.507 130 residues pruned to eliminate duplicates Z: 39 38.913 2.215 0.772 0.630 0.895 0.553 CB 1.590 39 residues pruned to eliminate duplicates Z: 97 61.968 2.267 0.768 0.588 0.938 0.688 CB 1.548 97 residues pruned to eliminate duplicates Z: 60 39.866 2.162 0.713 0.598 0.949 0.593 CB 1.344 60 residues pruned to eliminate duplicates Z: 55 42.833 2.211 0.707 0.581 0.944 0.593 CB 1.513 55 residues pruned to eliminate duplicates Z: 87 55.849 2.199 0.771 0.578 0.953 0.593 CB 1.504 87 residues pruned to eliminate duplicates Z: 61 40.508 2.158 0.653 0.562 0.933 0.550 CB 1.479 35 residues pruned to eliminate duplicates Z: 12 20.228 2.075 0.842 0.779 0.909 0.545 CB 1.372 14 residues pruned to eliminate duplicates Z: 11 16.848 2.134 0.917 0.845 0.800 0.700 CB 1.210 12 residues pruned to eliminate duplicates Z: 11 18.539 2.138 0.857 0.892 0.900 0.400 CB 1.179 11 residues pruned to eliminate duplicates Z: 11 22.464 2.014 0.871 0.881 1.000 0.400 CB 1.366 11 residues pruned to eliminate duplicates Z: 85 50.423 2.224 0.662 0.556 0.905 0.690 CB 1.558 85 residues pruned to eliminate duplicates Z: 53 41.964 2.241 0.696 0.603 0.942 0.596 CB 1.473 53 residues pruned to eliminate duplicates Z: 53 42.255 2.243 0.620 0.599 0.942 0.654 CB 1.558 53 residues pruned to eliminate duplicates Z: 71 48.041 2.215 0.702 0.567 0.900 0.629 CB 1.587 71 residues pruned to eliminate duplicates Z: 90 52.574 2.202 0.725 0.570 0.944 0.663 CB 1.452 90 residues pruned to eliminate duplicates Z: 87 54.295 2.216 0.717 0.578 0.942 0.686 CB 1.515 87 residues pruned to eliminate duplicates Z: 47 37.133 2.192 0.688 0.605 0.935 0.587 CB 1.433 47 residues pruned to eliminate duplicates Z: 40 37.247 2.207 0.756 0.632 0.897 0.641 CB 1.514 40 residues pruned to eliminate duplicates Z: 46 41.226 2.196 0.808 0.635 0.933 0.733 CB 1.461 46 residues pruned to eliminate duplicates Z: 88 46.974 2.186 0.756 0.545 0.897 0.563 CB 1.400 88 residues pruned to eliminate duplicates Z: 40 22.671 2.050 0.430 0.470 0.872 0.385 CB 1.464 40 residues pruned to eliminate duplicates Z: 40 28.087 2.165 0.537 0.501 0.897 0.641 CB 1.505 40 residues pruned to eliminate duplicates Z: 105 45.355 2.102 0.574 0.531 0.933 0.606 CB 1.397 77 residues pruned to eliminate duplicates Z: 8 5.504 1.519 0.249 0.545 1.000 0.857 CB 1.050 8 residues pruned to eliminate duplicates Z: 33 19.894 2.079 0.426 0.525 0.844 0.562 CB 1.371 33 residues pruned to eliminate duplicates Z: 79 41.130 2.117 0.597 0.572 0.923 0.615 CB 1.392 79 residues pruned to eliminate duplicates Z: 32 22.347 2.097 0.504 0.532 0.871 0.613 CB 1.415 32 residues pruned to eliminate duplicates Z: 40 28.199 2.148 0.511 0.516 0.949 0.590 CB 1.443 40 residues pruned to eliminate duplicates Z: 31 23.428 2.141 0.457 0.510 0.933 0.633 CB 1.454 31 residues pruned to eliminate duplicates Z: 27 23.541 2.178 0.501 0.598 0.885 0.615 CB 1.453 27 residues pruned to eliminate duplicates Z: 28 24.485 2.138 0.586 0.549 0.926 0.519 CB 1.430 28 residues pruned to eliminate duplicates Z: 36 29.120 2.196 0.529 0.550 0.914 0.629 CB 1.527 36 residues pruned to eliminate duplicates Z: 34 28.281 2.223 0.592 0.504 0.879 0.545 CB 1.577 40 residues pruned to eliminate duplicates Z: 6 5.689 1.765 0.129 0.795 1.000 0.600 CB 0.986 6 residues pruned to eliminate duplicates Z: 22 16.562 2.008 0.403 0.517 0.952 0.381 CB 1.325 22 residues pruned to eliminate duplicates Z: 17 12.254 2.214 0.279 0.320 0.875 0.375 CB 1.507 17 residues pruned to eliminate duplicates Z: 43 25.082 2.051 0.451 0.562 0.905 0.595 CB 1.353 43 residues pruned to eliminate duplicates Z: 34 18.185 2.046 0.513 0.447 0.818 0.485 CB 1.319 34 residues pruned to eliminate duplicates Z: 34 24.715 2.097 0.514 0.494 0.939 0.485 CB 1.451 34 residues pruned to eliminate duplicates Z: 30 20.063 2.142 0.430 0.508 0.862 0.483 CB 1.400 30 residues pruned to eliminate duplicates Z: 35 32.428 2.250 0.555 0.519 1.000 0.529 CB 1.559 36 residues pruned to eliminate duplicates Z: 6 4.899 1.531 0.508 0.397 1.000 0.800 CB 1.058 6 residues pruned to eliminate duplicates Z: 28 25.455 2.184 0.559 0.559 1.000 0.630 CB 1.359 28 residues pruned to eliminate duplicates Z: 36 30.226 2.239 0.552 0.520 0.943 0.571 CB 1.529 36 residues pruned to eliminate duplicates Z: 18 20.406 2.205 0.763 0.433 0.941 0.647 CB 1.450 18 residues pruned to eliminate duplicates Z: 31 21.513 2.099 0.429 0.447 0.967 0.567 CB 1.430 31 residues pruned to eliminate duplicates Z: 42 32.563 2.152 0.764 0.522 0.927 0.683 CB 1.414 42 residues pruned to eliminate duplicates Z: 39 34.035 2.179 0.714 0.516 0.947 0.658 CB 1.537 39 residues pruned to eliminate duplicates Z: 20 20.510 2.072 0.953 0.447 0.842 0.526 CB 1.458 20 residues pruned to eliminate duplicates Z: 18 22.832 2.154 0.896 0.454 0.941 0.824 CB 1.511 18 residues pruned to eliminate duplicates Z: 13 21.471 2.244 0.821 0.483 0.917 0.667 CB 1.683 13 residues pruned to eliminate duplicates Z: 13 18.204 2.258 0.947 0.428 0.833 0.583 CB 1.546 12 residues pruned to eliminate duplicates Z: 7 13.115 1.716 1.128 0.476 1.000 0.833 CB 1.502 8 residues pruned to eliminate duplicates Z: 6 3.332 1.437 0.307 0.462 1.000 0.200 CB 0.825 5 residues pruned to eliminate duplicates 343 residues left after pruning, divided into chains as follows: A: 22 B: 24 C: 9 D: 71 E: 49 F: 156 G: 12 CC for partial structure against native data = 39.47 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.470, Connect. = 0.686 for dens.mod. cycle 1 = 0.300, Contrast = 0.550, Connect. = 0.722 for dens.mod. cycle 2 = 0.300, Contrast = 0.660, Connect. = 0.757 for dens.mod. cycle 3 = 0.300, Contrast = 0.672, Connect. = 0.762 for dens.mod. cycle 4 = 0.300, Contrast = 0.684, Connect. = 0.766 for dens.mod. cycle 5 = 0.300, Contrast = 0.687, Connect. = 0.768 for dens.mod. cycle 6 = 0.300, Contrast = 0.691, Connect. = 0.769 for dens.mod. cycle 7 = 0.300, Contrast = 0.692, Connect. = 0.770 for dens.mod. cycle 8 = 0.300, Contrast = 0.693, Connect. = 0.771 for dens.mod. cycle 9 = 0.300, Contrast = 0.693, Connect. = 0.772 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2876 peaks > 0.5 sigma used to seed fragment search Space for about 535 unique residues taking solvent into account 603 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 19 36.964 2.261 0.874 0.771 0.944 0.611 CA 1.713 B: 18 42.100 2.354 0.866 0.829 0.941 0.765 CA 1.859 20 residues pruned to eliminate duplicates C: 17 38.952 2.380 0.783 0.805 1.000 0.688 CA 1.758 D: 20 28.404 2.194 0.765 0.736 0.789 0.632 CB 1.724 20 residues pruned to eliminate duplicates E: 16 36.743 2.364 0.925 0.791 0.933 0.600 CA 1.729 16 residues pruned to eliminate duplicates F: 16 39.309 2.236 0.990 0.895 1.000 1.000 CB 1.635 G: 20 34.127 2.179 0.944 0.776 0.895 0.474 CA 1.619 20 residues pruned to eliminate duplicates H: 15 43.210 2.339 1.096 0.886 1.000 0.714 CB 1.700 16 residues pruned to eliminate duplicates I: 15 24.491 2.276 0.450 0.851 0.857 0.857 CA 1.714 J: 17 30.850 2.117 0.590 0.886 1.000 0.812 CB 1.654 16 residues pruned to eliminate duplicates K: 33 44.850 2.254 0.964 0.629 0.969 0.750 CB 1.638 20 residues pruned to eliminate duplicates L: 17 53.118 2.461 1.148 0.855 1.000 0.688 CA 1.853 17 residues pruned to eliminate duplicates M: 15 38.119 2.351 0.892 0.865 1.000 0.786 CB 1.679 16 residues pruned to eliminate duplicates N: 18 42.932 2.295 0.913 0.838 0.941 0.706 CA 1.883 18 residues pruned to eliminate duplicates O: 94 52.137 2.202 0.697 0.585 0.914 0.699 CB 1.459 15 residues pruned to eliminate duplicates P: 16 27.416 2.251 0.499 0.834 0.933 0.867 CA 1.685 16 residues pruned to eliminate duplicates Q: 15 31.750 2.238 0.751 0.888 1.000 0.786 CB 1.560 15 residues pruned to eliminate duplicates R: 17 42.052 2.440 0.848 0.859 0.938 0.812 CA 1.831 17 residues pruned to eliminate duplicates S: 15 29.502 2.336 0.576 0.814 0.929 0.714 CB 1.755 15 residues pruned to eliminate duplicates T: 83 54.533 2.246 0.667 0.585 0.963 0.695 CB 1.540 84 residues pruned to eliminate duplicates U: 16 30.995 2.233 0.612 0.888 1.000 0.867 CB 1.602 16 residues pruned to eliminate duplicates V: 14 36.312 2.382 0.858 0.889 1.000 0.769 CB 1.638 14 residues pruned to eliminate duplicates W: 13 15.176 2.171 0.931 0.428 0.750 0.667 CB 1.501 X: 15 31.429 2.333 0.682 0.881 0.929 0.714 CA 1.669 15 residues pruned to eliminate duplicates Y: 16 28.796 2.179 0.497 0.885 1.000 0.867 CB 1.644 16 residues pruned to eliminate duplicates Z: 17 26.083 2.110 0.419 0.841 1.000 0.875 CA 1.624 17 residues pruned to eliminate duplicates Z: 22 25.532 2.106 0.577 0.517 0.952 0.476 CB 1.732 Z: 16 24.637 2.230 0.389 0.847 0.933 0.733 CA 1.634 16 residues pruned to eliminate duplicates Z: 47 48.934 2.244 0.852 0.607 0.957 0.739 CB 1.640 32 residues pruned to eliminate duplicates Z: 36 29.415 2.207 0.569 0.547 0.943 0.571 CB 1.454 13 residues pruned to eliminate duplicates Z: 16 33.608 2.326 0.622 0.794 1.000 0.667 CB 1.777 16 residues pruned to eliminate duplicates Z: 14 34.572 2.381 0.768 0.846 1.000 0.615 CA 1.693 14 residues pruned to eliminate duplicates Z: 36 27.651 2.203 0.617 0.530 0.943 0.571 CB 1.351 36 residues pruned to eliminate duplicates Z: 17 29.504 2.095 0.633 0.877 1.000 0.875 CB 1.565 17 residues pruned to eliminate duplicates Z: 20 22.748 2.127 0.574 0.748 0.789 0.632 CA 1.582 20 residues pruned to eliminate duplicates Z: 11 23.149 2.021 0.802 0.904 1.000 0.500 CA 1.431 11 residues pruned to eliminate duplicates Z: 32 26.296 2.003 0.659 0.453 0.935 0.516 CB 1.595 22 residues pruned to eliminate duplicates Z: 15 15.595 1.981 0.365 0.532 0.929 0.571 CA 1.609 15 residues pruned to eliminate duplicates Z: 9 11.098 2.234 0.107 0.863 0.750 0.625 CA 1.552 Z: 25 18.757 1.965 0.519 0.459 0.833 0.542 CB 1.605 25 residues pruned to eliminate duplicates Z: 25 20.040 1.910 0.609 0.538 0.875 0.583 CB 1.465 25 residues pruned to eliminate duplicates Z: 95 61.379 2.261 0.840 0.564 0.904 0.628 CB 1.581 93 residues pruned to eliminate duplicates Z: 45 61.010 2.346 1.029 0.630 0.955 0.705 CA 1.790 32 residues pruned to eliminate duplicates Z: 31 38.600 2.275 0.670 0.647 0.967 0.667 CB 1.673 31 residues pruned to eliminate duplicates Z: 81 64.423 2.263 0.920 0.584 0.925 0.700 CB 1.653 48 residues pruned to eliminate duplicates Z: 8 9.193 1.842 0.134 0.809 0.857 0.571 CA 1.483 8 residues pruned to eliminate duplicates Z: 88 55.931 2.198 0.864 0.553 0.897 0.678 CB 1.550 62 residues pruned to eliminate duplicates Z: 33 22.655 2.044 0.483 0.595 0.906 0.531 CB 1.331 28 residues pruned to eliminate duplicates Z: 81 68.575 2.291 0.968 0.571 0.938 0.750 CB 1.694 79 residues pruned to eliminate duplicates Z: 98 67.561 2.268 0.940 0.550 0.907 0.722 CB 1.637 98 residues pruned to eliminate duplicates Z: 48 51.423 2.285 1.069 0.537 0.936 0.702 CB 1.635 48 residues pruned to eliminate duplicates Z: 54 53.693 2.275 0.942 0.584 0.925 0.755 CB 1.666 54 residues pruned to eliminate duplicates Z: 18 34.391 2.240 0.806 0.824 0.882 0.824 CA 1.765 18 residues pruned to eliminate duplicates Z: 17 17.982 2.220 0.924 0.376 0.812 0.562 CB 1.478 17 residues pruned to eliminate duplicates Z: 17 48.060 2.489 1.216 0.822 0.875 0.688 CA 1.884 17 residues pruned to eliminate duplicates Z: 16 35.932 2.408 0.695 0.851 0.933 0.867 CB 1.803 16 residues pruned to eliminate duplicates Z: 10 17.358 2.105 0.408 0.900 1.000 0.889 CB 1.395 10 residues pruned to eliminate duplicates Z: 17 24.822 2.080 0.461 0.846 1.000 0.688 CA 1.517 17 residues pruned to eliminate duplicates Z: 17 37.788 2.201 0.883 0.810 0.938 0.625 CB 1.855 17 residues pruned to eliminate duplicates Z: 16 32.575 2.258 0.667 0.848 1.000 0.733 CA 1.658 16 residues pruned to eliminate duplicates Z: 13 19.310 2.077 1.167 0.433 0.917 0.750 CB 1.448 13 residues pruned to eliminate duplicates Z: 15 28.797 2.314 0.481 0.864 1.000 0.714 CA 1.647 15 residues pruned to eliminate duplicates Z: 17 48.919 2.469 1.175 0.806 0.938 0.688 CA 1.860 17 residues pruned to eliminate duplicates Z: 81 63.611 2.279 0.884 0.566 0.925 0.663 CB 1.680 81 residues pruned to eliminate duplicates Z: 11 16.295 2.184 0.159 0.911 1.000 0.900 CA 1.443 11 residues pruned to eliminate duplicates Z: 50 52.571 2.339 0.929 0.617 0.857 0.653 CB 1.740 50 residues pruned to eliminate duplicates Z: 51 46.804 2.223 0.844 0.615 0.920 0.660 CB 1.574 57 residues pruned to eliminate duplicates Z: 62 56.716 2.276 0.975 0.592 0.902 0.705 CB 1.641 63 residues pruned to eliminate duplicates Z: 48 51.378 2.321 0.876 0.589 0.915 0.638 CB 1.727 48 residues pruned to eliminate duplicates Z: 97 60.588 2.272 0.745 0.580 0.906 0.667 CB 1.594 97 residues pruned to eliminate duplicates Z: 25 25.794 2.152 0.703 0.440 0.875 0.583 CB 1.747 24 residues pruned to eliminate duplicates Z: 17 29.964 2.141 0.615 0.893 1.000 0.875 CB 1.556 17 residues pruned to eliminate duplicates Z: 11 16.838 2.201 0.550 0.865 0.800 0.600 CA 1.429 11 residues pruned to eliminate duplicates Z: 28 23.005 2.187 0.482 0.536 0.889 0.444 CB 1.484 28 residues pruned to eliminate duplicates Z: 39 40.333 2.229 0.896 0.523 0.921 0.711 CB 1.643 39 residues pruned to eliminate duplicates Z: 18 36.914 2.274 0.887 0.754 0.882 0.765 CA 1.885 18 residues pruned to eliminate duplicates Z: 80 67.336 2.282 0.933 0.581 0.937 0.722 CB 1.696 80 residues pruned to eliminate duplicates Z: 44 28.157 2.140 0.599 0.463 0.884 0.651 CB 1.475 44 residues pruned to eliminate duplicates Z: 135 75.361 2.265 0.783 0.590 0.910 0.672 CB 1.624 135 residues pruned to eliminate duplicates Z: 81 58.766 2.251 0.769 0.608 0.938 0.700 CB 1.588 81 residues pruned to eliminate duplicates Z: 16 27.816 2.248 0.544 0.858 0.933 0.800 CA 1.633 16 residues pruned to eliminate duplicates Z: 18 27.000 2.225 0.552 0.783 0.882 0.647 CA 1.675 18 residues pruned to eliminate duplicates Z: 24 26.845 2.331 0.605 0.485 0.913 0.696 CB 1.664 25 residues pruned to eliminate duplicates Z: 44 29.336 2.095 0.594 0.525 0.860 0.535 CB 1.519 44 residues pruned to eliminate duplicates Z: 10 17.456 2.138 0.335 0.878 1.000 0.778 CB 1.479 10 residues pruned to eliminate duplicates Z: 16 36.045 2.176 0.833 0.861 1.000 0.800 CA 1.714 16 residues pruned to eliminate duplicates Z: 16 31.878 2.219 0.664 0.842 1.000 0.667 CA 1.661 16 residues pruned to eliminate duplicates Z: 20 23.003 2.155 0.424 0.736 0.842 0.737 CB 1.652 20 residues pruned to eliminate duplicates Z: 13 13.669 1.787 0.440 0.736 0.917 0.833 CB 1.353 13 residues pruned to eliminate duplicates Z: 31 21.705 2.107 0.405 0.501 0.933 0.567 CB 1.433 31 residues pruned to eliminate duplicates Z: 9 19.533 2.213 0.631 0.859 0.875 0.750 CA 1.609 9 residues pruned to eliminate duplicates Z: 39 33.696 2.194 0.649 0.516 0.974 0.658 CB 1.528 38 residues pruned to eliminate duplicates Z: 83 45.799 2.173 0.603 0.577 0.939 0.573 CB 1.435 83 residues pruned to eliminate duplicates Z: 118 55.853 2.205 0.586 0.563 0.923 0.615 CB 1.504 118 residues pruned to eliminate duplicates Z: 17 13.388 2.030 0.860 0.357 0.750 0.500 CB 1.379 17 residues pruned to eliminate duplicates Z: 15 35.447 2.245 0.863 0.887 1.000 0.643 CB 1.633 15 residues pruned to eliminate duplicates Z: 39 33.613 2.169 0.701 0.525 0.947 0.605 CB 1.521 39 residues pruned to eliminate duplicates Z: 12 17.489 2.092 0.997 0.471 0.909 0.545 CA 1.430 12 residues pruned to eliminate duplicates Z: 16 28.932 2.267 0.451 0.867 1.000 0.800 CA 1.660 16 residues pruned to eliminate duplicates Z: 33 35.955 2.192 0.956 0.493 0.906 0.656 CB 1.648 33 residues pruned to eliminate duplicates Z: 41 37.778 2.215 0.636 0.628 0.925 0.650 CB 1.579 41 residues pruned to eliminate duplicates Z: 73 51.679 2.236 0.911 0.484 0.903 0.667 CB 1.605 51 residues pruned to eliminate duplicates Z: 13 31.141 2.204 0.908 0.873 0.917 0.917 CB 1.699 13 residues pruned to eliminate duplicates Z: 21 22.619 2.112 0.491 0.550 0.900 0.550 CB 1.700 21 residues pruned to eliminate duplicates Z: 80 65.151 2.266 0.892 0.560 0.949 0.620 CB 1.699 29 residues pruned to eliminate duplicates Z: 45 56.858 2.327 1.011 0.614 0.932 0.727 CA 1.764 45 residues pruned to eliminate duplicates Z: 116 57.749 2.210 0.668 0.557 0.922 0.652 CB 1.499 116 residues pruned to eliminate duplicates Z: 11 15.124 2.128 0.585 0.543 0.900 0.800 CB 1.510 11 residues pruned to eliminate duplicates Z: 46 37.640 2.156 0.735 0.620 0.911 0.689 CB 1.470 41 residues pruned to eliminate duplicates Z: 12 19.142 1.925 0.872 0.885 0.909 0.636 CB 1.272 12 residues pruned to eliminate duplicates Z: 29 31.892 2.297 0.832 0.474 0.929 0.643 CB 1.583 29 residues pruned to eliminate duplicates Z: 7 11.935 2.125 0.810 0.497 0.833 0.667 CA 1.524 7 residues pruned to eliminate duplicates Z: 22 20.140 2.039 0.256 0.588 0.952 0.571 CB 1.657 22 residues pruned to eliminate duplicates Z: 44 23.727 1.992 0.470 0.446 0.907 0.581 CB 1.441 45 residues pruned to eliminate duplicates Z: 25 13.612 1.997 0.381 0.469 0.792 0.542 CB 1.313 25 residues pruned to eliminate duplicates Z: 32 37.389 2.171 0.973 0.568 0.903 0.742 CA 1.625 64 residues pruned to eliminate duplicates Z: 10 26.392 2.266 0.763 0.889 1.000 0.667 CA 1.585 15 residues pruned to eliminate duplicates Z: 17 26.470 2.116 0.597 0.851 0.938 0.625 CB 1.546 17 residues pruned to eliminate duplicates Z: 16 14.951 1.698 0.369 0.811 0.933 0.667 CB 1.357 16 residues pruned to eliminate duplicates Z: 48 51.971 2.323 1.068 0.522 0.915 0.681 CB 1.688 48 residues pruned to eliminate duplicates Z: 90 53.116 2.150 0.883 0.534 0.921 0.562 CB 1.459 90 residues pruned to eliminate duplicates Z: 10 16.356 2.022 0.416 0.911 1.000 1.000 CB 1.350 10 residues pruned to eliminate duplicates Z: 56 48.275 2.247 0.930 0.485 0.927 0.673 CB 1.643 56 residues pruned to eliminate duplicates Z: 11 14.322 2.112 0.588 0.843 0.800 0.700 CB 1.256 11 residues pruned to eliminate duplicates Z: 17 26.597 2.273 0.570 0.798 0.875 0.750 CB 1.640 17 residues pruned to eliminate duplicates Z: 11 12.980 2.093 0.563 0.814 0.800 0.700 CB 1.194 11 residues pruned to eliminate duplicates Z: 10 22.406 2.115 0.919 0.550 1.000 0.667 CA 1.754 Z: 10 13.584 2.011 0.231 0.853 1.000 0.556 CA 1.351 10 residues pruned to eliminate duplicates Z: 9 20.425 2.136 0.645 0.910 1.000 0.875 CB 1.457 9 residues pruned to eliminate duplicates Z: 80 70.327 2.272 0.953 0.617 0.962 0.709 CB 1.660 80 residues pruned to eliminate duplicates Z: 12 16.933 1.837 1.104 0.664 0.818 0.636 CB 1.387 Z: 17 16.789 1.968 0.920 0.356 1.000 0.375 CB 1.298 15 residues pruned to eliminate duplicates Z: 15 29.699 2.171 0.822 0.856 0.929 0.714 CB 1.594 15 residues pruned to eliminate duplicates Z: 45 60.712 2.350 1.053 0.644 0.955 0.727 CB 1.738 45 residues pruned to eliminate duplicates Z: 44 55.788 2.356 0.951 0.631 0.930 0.814 CB 1.759 44 residues pruned to eliminate duplicates Z: 82 57.400 2.218 0.801 0.578 0.938 0.605 CB 1.578 82 residues pruned to eliminate duplicates Z: 49 47.993 2.269 0.895 0.546 0.938 0.646 CB 1.642 49 residues pruned to eliminate duplicates Z: 43 36.721 2.121 0.729 0.606 0.929 0.667 CB 1.505 43 residues pruned to eliminate duplicates Z: 17 34.333 2.284 0.848 0.817 0.812 0.625 CB 1.899 17 residues pruned to eliminate duplicates Z: 55 38.500 2.200 0.602 0.608 0.926 0.648 CB 1.449 55 residues pruned to eliminate duplicates Z: 60 61.973 2.341 1.047 0.571 0.915 0.627 CB 1.716 60 residues pruned to eliminate duplicates Z: 18 30.385 2.252 1.056 0.704 0.765 0.588 CA 1.729 18 residues pruned to eliminate duplicates Z: 22 19.052 1.789 0.680 0.645 0.952 0.714 CB 1.268 12 residues pruned to eliminate duplicates Z: 168 83.660 2.271 0.819 0.573 0.922 0.647 CB 1.583 165 residues pruned to eliminate duplicates Z: 46 45.683 2.258 0.807 0.557 0.933 0.689 CB 1.692 46 residues pruned to eliminate duplicates Z: 15 23.357 2.094 0.602 0.767 0.857 0.714 CA 1.713 15 residues pruned to eliminate duplicates Z: 12 14.835 1.882 0.594 0.895 0.909 0.727 CB 1.176 12 residues pruned to eliminate duplicates Z: 16 10.109 1.859 0.168 0.514 0.933 0.533 CB 1.270 16 residues pruned to eliminate duplicates Z: 23 17.782 1.722 0.749 0.599 0.909 0.636 CB 1.260 23 residues pruned to eliminate duplicates Z: 38 49.276 2.314 0.999 0.611 0.892 0.676 CA 1.767 38 residues pruned to eliminate duplicates Z: 64 52.319 2.304 0.763 0.558 0.937 0.698 CB 1.638 64 residues pruned to eliminate duplicates Z: 93 48.529 2.159 0.647 0.541 0.924 0.620 CB 1.480 93 residues pruned to eliminate duplicates Z: 29 29.801 2.123 0.746 0.491 0.929 0.571 CB 1.651 12 residues pruned to eliminate duplicates Z: 88 58.604 2.213 0.872 0.568 0.931 0.678 CB 1.526 88 residues pruned to eliminate duplicates Z: 16 23.479 2.193 0.641 0.846 0.867 0.533 CB 1.445 16 residues pruned to eliminate duplicates Z: 15 41.583 2.387 0.965 0.860 1.000 0.929 CB 1.742 15 residues pruned to eliminate duplicates Z: 18 44.855 2.359 0.910 0.804 1.000 0.765 CA 1.853 18 residues pruned to eliminate duplicates Z: 19 33.887 2.276 0.636 0.772 0.944 0.722 CA 1.785 19 residues pruned to eliminate duplicates Z: 10 16.760 2.107 0.374 0.892 1.000 0.889 CB 1.386 10 residues pruned to eliminate duplicates Z: 18 23.764 2.187 1.094 0.504 0.824 0.588 CB 1.523 18 residues pruned to eliminate duplicates Z: 91 51.434 2.155 0.671 0.575 0.933 0.667 CB 1.500 91 residues pruned to eliminate duplicates Z: 12 16.599 2.211 0.656 0.433 0.909 0.636 CB 1.612 12 residues pruned to eliminate duplicates Z: 60 49.686 2.252 0.706 0.639 0.949 0.627 CB 1.557 60 residues pruned to eliminate duplicates Z: 33 42.341 2.405 0.895 0.542 0.875 0.531 CB 1.802 33 residues pruned to eliminate duplicates Z: 48 47.489 2.275 0.834 0.587 0.894 0.702 CB 1.709 48 residues pruned to eliminate duplicates Z: 18 30.863 2.255 0.690 0.793 0.882 0.706 CA 1.722 18 residues pruned to eliminate duplicates Z: 83 52.340 2.251 0.671 0.572 0.927 0.634 CB 1.547 83 residues pruned to eliminate duplicates Z: 45 60.314 2.355 0.945 0.645 0.955 0.705 CA 1.817 45 residues pruned to eliminate duplicates Z: 6 17.482 1.844 1.141 0.863 1.000 1.000 CB 1.453 6 residues pruned to eliminate duplicates Z: 13 12.264 1.918 0.537 0.356 1.000 0.500 CA 1.403 13 residues pruned to eliminate duplicates Z: 80 59.180 2.261 0.764 0.599 0.962 0.709 CB 1.579 80 residues pruned to eliminate duplicates Z: 11 16.648 1.962 0.554 0.899 1.000 0.800 CB 1.234 11 residues pruned to eliminate duplicates Z: 6 11.353 2.059 0.138 0.830 1.000 0.800 C 1.630 6 residues pruned to eliminate duplicates Z: 46 58.356 2.328 1.038 0.640 0.933 0.733 CB 1.723 46 residues pruned to eliminate duplicates Z: 81 69.328 2.299 0.940 0.553 0.950 0.775 CB 1.736 81 residues pruned to eliminate duplicates Z: 23 18.462 1.743 0.842 0.543 0.909 0.591 CB 1.294 22 residues pruned to eliminate duplicates Z: 11 13.350 2.092 0.402 0.851 0.900 0.800 CB 1.183 11 residues pruned to eliminate duplicates Z: 18 29.483 2.189 0.661 0.763 0.941 0.647 CA 1.654 18 residues pruned to eliminate duplicates Z: 98 71.688 2.264 1.004 0.564 0.907 0.691 CB 1.661 98 residues pruned to eliminate duplicates Z: 36 28.719 2.218 0.560 0.524 0.914 0.629 CB 1.500 36 residues pruned to eliminate duplicates Z: 44 51.852 2.302 0.951 0.637 0.907 0.721 CB 1.707 44 residues pruned to eliminate duplicates Z: 79 53.807 2.241 0.639 0.615 0.949 0.705 CB 1.567 79 residues pruned to eliminate duplicates Z: 22 24.959 2.211 0.799 0.435 0.905 0.571 CB 1.619 22 residues pruned to eliminate duplicates Z: 6 7.588 1.676 0.172 0.760 1.000 0.800 CA 1.371 Z: 11 18.437 2.223 0.715 0.586 0.900 0.700 CA 1.565 11 residues pruned to eliminate duplicates Z: 127 79.973 2.297 0.920 0.588 0.905 0.659 CB 1.641 127 residues pruned to eliminate duplicates Z: 63 36.577 2.122 0.618 0.571 0.887 0.645 CB 1.424 63 residues pruned to eliminate duplicates Z: 134 84.218 2.270 0.892 0.603 0.947 0.677 CB 1.628 132 residues pruned to eliminate duplicates Z: 100 52.222 2.208 0.806 0.510 0.859 0.657 CB 1.518 100 residues pruned to eliminate duplicates Z: 6 5.810 1.646 0.514 0.775 0.800 0.800 CA 1.022 6 residues pruned to eliminate duplicates Z: 23 20.064 1.773 0.789 0.594 0.955 0.682 CB 1.291 23 residues pruned to eliminate duplicates Z: 13 12.132 2.093 0.798 0.426 0.750 0.500 CA 1.340 13 residues pruned to eliminate duplicates Z: 37 42.511 2.163 1.127 0.515 0.944 0.694 CB 1.607 37 residues pruned to eliminate duplicates Z: 37 29.096 2.180 0.650 0.534 0.944 0.556 CB 1.381 37 residues pruned to eliminate duplicates Z: 13 17.743 1.767 0.588 0.802 0.917 0.583 C 1.529 13 residues pruned to eliminate duplicates Z: 7 2.843 1.674 0.384 0.394 0.500 0.500 CB 1.121 7 residues pruned to eliminate duplicates Z: 24 33.308 2.193 0.929 0.543 0.957 0.609 CB 1.646 24 residues pruned to eliminate duplicates Z: 21 24.563 2.113 0.548 0.485 1.000 0.550 C 1.705 23 residues pruned to eliminate duplicates Z: 39 28.171 2.181 0.496 0.471 0.947 0.579 CB 1.523 39 residues pruned to eliminate duplicates Z: 40 22.460 2.117 0.384 0.456 0.897 0.487 CB 1.430 40 residues pruned to eliminate duplicates Z: 34 41.769 2.251 1.045 0.529 0.909 0.636 CB 1.689 34 residues pruned to eliminate duplicates Z: 69 42.452 2.139 0.683 0.583 0.926 0.603 CB 1.425 69 residues pruned to eliminate duplicates Z: 10 21.771 2.132 0.720 0.917 1.000 0.889 CB 1.396 10 residues pruned to eliminate duplicates Z: 24 17.318 1.796 0.745 0.587 0.870 0.696 CB 1.219 Z: 39 44.096 2.220 1.014 0.553 0.921 0.763 CB 1.650 39 residues pruned to eliminate duplicates Z: 8 6.861 1.870 0.215 0.644 0.714 0.714 CA 1.397 8 residues pruned to eliminate duplicates Z: 23 21.250 1.767 0.955 0.609 0.955 0.636 CB 1.238 23 residues pruned to eliminate duplicates Z: 18 30.729 2.274 0.577 0.816 0.941 0.706 CB 1.678 20 residues pruned to eliminate duplicates Z: 19 27.429 2.113 0.451 0.783 1.000 0.667 CA 1.644 19 residues pruned to eliminate duplicates Z: 12 14.671 1.847 0.260 0.871 0.909 0.727 CA 1.525 12 residues pruned to eliminate duplicates Z: 18 33.762 2.264 0.609 0.807 0.941 0.824 CA 1.828 18 residues pruned to eliminate duplicates Z: 22 20.588 1.925 0.858 0.590 0.905 0.762 CB 1.273 24 residues pruned to eliminate duplicates Z: 6 18.832 2.149 0.871 0.806 1.000 0.800 CA 1.604 6 residues pruned to eliminate duplicates Z: 9 13.391 1.965 1.313 0.411 0.750 0.500 CB 1.525 9 residues pruned to eliminate duplicates Z: 30 52.590 2.393 0.998 0.684 0.931 0.793 CB 1.853 30 residues pruned to eliminate duplicates Z: 11 22.302 2.156 0.820 0.856 1.000 0.700 CA 1.326 11 residues pruned to eliminate duplicates Z: 11 12.166 2.097 0.088 0.834 0.900 0.700 CA 1.404 11 residues pruned to eliminate duplicates Z: 81 56.671 2.241 0.677 0.591 0.963 0.650 CB 1.606 81 residues pruned to eliminate duplicates Z: 6 5.547 1.602 0.244 0.736 0.800 0.800 CA 1.259 6 residues pruned to eliminate duplicates Z: 85 56.220 2.232 0.722 0.561 0.940 0.750 CB 1.599 85 residues pruned to eliminate duplicates Z: 17 33.767 2.263 0.967 0.541 1.000 0.750 CB 1.822 17 residues pruned to eliminate duplicates Z: 10 20.929 2.169 0.697 0.903 0.889 0.667 CB 1.521 10 residues pruned to eliminate duplicates Z: 8 5.086 1.922 0.522 0.439 0.714 0.429 CB 0.979 Z: 98 69.740 2.251 0.992 0.557 0.918 0.691 CB 1.628 98 residues pruned to eliminate duplicates Z: 43 22.774 2.078 0.451 0.508 0.881 0.643 CB 1.313 43 residues pruned to eliminate duplicates Z: 6 10.183 1.938 0.435 0.725 1.000 0.600 CA 1.337 6 residues pruned to eliminate duplicates Z: 136 70.567 2.183 0.804 0.570 0.926 0.585 CB 1.556 136 residues pruned to eliminate duplicates Z: 21 19.623 1.883 0.717 0.671 0.950 0.750 CB 1.220 21 residues pruned to eliminate duplicates Z: 10 16.858 2.136 0.424 0.885 0.889 0.778 CB 1.500 10 residues pruned to eliminate duplicates Z: 10 24.088 2.070 0.815 0.876 1.000 0.667 CB 1.553 10 residues pruned to eliminate duplicates Z: 16 21.056 2.207 0.747 0.425 0.933 0.400 CA 1.633 16 residues pruned to eliminate duplicates Z: 23 16.706 1.903 0.601 0.573 0.864 0.773 CB 1.262 23 residues pruned to eliminate duplicates Z: 24 18.392 1.706 0.801 0.600 0.913 0.696 CB 1.242 25 residues pruned to eliminate duplicates Z: 7 6.453 1.828 0.357 0.584 0.833 0.500 CB 1.176 7 residues pruned to eliminate duplicates Z: 12 14.828 1.727 0.478 0.826 1.000 0.727 CA 1.320 12 residues pruned to eliminate duplicates Z: 7 6.695 1.365 0.760 0.653 0.833 0.667 O 1.184 7 residues pruned to eliminate duplicates Z: 19 34.830 2.307 1.076 0.592 0.944 0.833 CB 1.662 19 residues pruned to eliminate duplicates Z: 6 10.321 1.962 0.543 0.828 1.000 0.600 CA 1.148 6 residues pruned to eliminate duplicates Z: 20 19.193 2.101 0.477 0.540 0.789 0.684 CA 1.728 20 residues pruned to eliminate duplicates Z: 37 32.433 2.142 0.800 0.488 0.917 0.667 CB 1.549 37 residues pruned to eliminate duplicates Z: 88 57.037 2.202 0.897 0.565 0.897 0.667 CB 1.532 94 residues pruned to eliminate duplicates Z: 46 53.064 2.308 1.037 0.609 0.889 0.711 CB 1.706 46 residues pruned to eliminate duplicates Z: 80 65.073 2.305 0.890 0.566 0.911 0.696 CB 1.729 80 residues pruned to eliminate duplicates Z: 25 13.674 1.763 0.710 0.492 0.833 0.667 CB 1.120 25 residues pruned to eliminate duplicates Z: 49 52.709 2.355 0.922 0.595 0.896 0.646 CB 1.714 49 residues pruned to eliminate duplicates Z: 73 56.268 2.240 0.775 0.613 0.917 0.667 CB 1.634 73 residues pruned to eliminate duplicates Z: 12 9.698 1.712 0.419 0.564 0.909 0.818 CB 1.245 12 residues pruned to eliminate duplicates Z: 76 59.673 2.235 0.917 0.552 0.960 0.680 CB 1.594 76 residues pruned to eliminate duplicates Z: 24 16.061 1.848 0.636 0.568 0.870 0.652 CB 1.193 24 residues pruned to eliminate duplicates Z: 96 59.800 2.259 0.741 0.576 0.905 0.653 CB 1.602 96 residues pruned to eliminate duplicates Z: 50 37.042 2.086 0.807 0.574 0.918 0.653 CB 1.424 50 residues pruned to eliminate duplicates Z: 102 50.286 2.173 0.621 0.533 0.911 0.594 CB 1.511 102 residues pruned to eliminate duplicates Z: 8 11.257 2.147 0.721 0.491 1.000 0.714 CB 1.161 8 residues pruned to eliminate duplicates Z: 22 21.666 1.923 0.672 0.705 0.952 0.810 CB 1.281 22 residues pruned to eliminate duplicates Z: 19 34.363 2.353 0.565 0.743 1.000 0.833 CA 1.769 19 residues pruned to eliminate duplicates Z: 32 46.503 2.254 1.220 0.595 0.968 0.710 CB 1.575 32 residues pruned to eliminate duplicates Z: 36 35.227 2.259 0.561 0.573 0.971 0.714 CA 1.619 36 residues pruned to eliminate duplicates Z: 17 35.162 2.211 1.013 0.830 0.875 0.750 CA 1.697 17 residues pruned to eliminate duplicates Z: 10 8.498 1.918 0.365 0.527 0.889 0.778 CB 1.185 10 residues pruned to eliminate duplicates Z: 11 16.720 1.798 1.037 0.637 0.900 0.700 CA 1.410 11 residues pruned to eliminate duplicates Z: 12 10.164 1.850 0.402 0.557 0.818 0.545 CA 1.366 10 residues pruned to eliminate duplicates Z: 43 53.278 2.322 0.916 0.652 0.905 0.786 CB 1.772 43 residues pruned to eliminate duplicates Z: 19 23.054 2.191 0.811 0.490 0.944 0.611 CB 1.465 19 residues pruned to eliminate duplicates Z: 10 12.877 1.850 0.831 0.554 1.000 0.889 CB 1.202 10 residues pruned to eliminate duplicates Z: 47 49.357 2.261 0.925 0.575 0.935 0.783 CB 1.663 47 residues pruned to eliminate duplicates Z: 44 44.088 2.219 0.814 0.696 0.930 0.651 CB 1.500 44 residues pruned to eliminate duplicates Z: 134 80.582 2.268 0.874 0.596 0.925 0.654 CB 1.621 134 residues pruned to eliminate duplicates Z: 30 28.715 2.342 0.524 0.486 0.931 0.586 CB 1.628 30 residues pruned to eliminate duplicates Z: 101 65.918 2.258 0.848 0.588 0.920 0.700 CB 1.579 101 residues pruned to eliminate duplicates Z: 31 27.363 2.283 0.565 0.458 0.933 0.533 CB 1.564 31 residues pruned to eliminate duplicates Z: 10 14.677 1.773 1.033 0.689 0.889 0.667 CA 1.284 10 residues pruned to eliminate duplicates Z: 70 48.086 2.146 0.876 0.521 0.942 0.667 CB 1.495 70 residues pruned to eliminate duplicates Z: 32 19.362 2.056 0.297 0.525 0.935 0.645 CB 1.360 32 residues pruned to eliminate duplicates Z: 8 12.771 2.134 0.918 0.472 0.714 0.714 CA 1.698 8 residues pruned to eliminate duplicates Z: 25 47.846 2.372 0.974 0.666 0.958 0.667 CA 1.867 25 residues pruned to eliminate duplicates Z: 6 14.654 2.172 0.577 0.839 1.000 0.800 CA 1.429 6 residues pruned to eliminate duplicates Z: 49 49.420 2.283 0.944 0.590 0.896 0.604 CB 1.646 49 residues pruned to eliminate duplicates Z: 29 29.896 2.136 0.639 0.509 0.964 0.643 CB 1.659 30 residues pruned to eliminate duplicates Z: 8 5.446 1.667 0.417 0.262 1.000 0.571 N 1.143 8 residues pruned to eliminate duplicates Z: 84 60.070 2.240 0.841 0.577 0.928 0.687 CB 1.601 84 residues pruned to eliminate duplicates Z: 14 16.618 1.744 0.432 0.879 0.923 0.615 CA 1.450 14 residues pruned to eliminate duplicates Z: 17 18.833 2.159 0.674 0.516 0.812 0.625 CB 1.577 17 residues pruned to eliminate duplicates Z: 32 33.389 2.202 0.616 0.679 0.935 0.677 CB 1.527 32 residues pruned to eliminate duplicates Z: 20 31.020 2.208 0.864 0.567 1.000 0.789 CB 1.620 21 residues pruned to eliminate duplicates Z: 20 39.563 2.360 0.714 0.751 1.000 0.737 CA 1.793 20 residues pruned to eliminate duplicates Z: 85 66.103 2.286 0.925 0.557 0.952 0.607 CB 1.627 85 residues pruned to eliminate duplicates Z: 18 9.619 1.671 0.523 0.464 0.882 0.471 CB 1.077 40 residues pruned to eliminate duplicates Z: 11 12.371 1.943 0.292 0.854 0.900 0.800 CB 1.279 11 residues pruned to eliminate duplicates Z: 45 60.417 2.303 1.011 0.665 0.977 0.727 CB 1.728 45 residues pruned to eliminate duplicates Z: 72 43.016 2.167 0.755 0.524 0.887 0.620 CB 1.477 72 residues pruned to eliminate duplicates Z: 55 36.846 2.103 0.770 0.552 0.870 0.574 CB 1.471 55 residues pruned to eliminate duplicates Z: 74 56.040 2.265 0.757 0.559 0.959 0.644 CB 1.622 74 residues pruned to eliminate duplicates Z: 9 4.861 1.716 0.147 0.301 0.875 0.375 CB 1.245 9 residues pruned to eliminate duplicates Z: 13 8.763 1.628 0.497 0.537 0.917 0.583 CB 1.092 Z: 35 17.666 1.940 0.301 0.517 0.941 0.618 CB 1.253 35 residues pruned to eliminate duplicates Z: 6 4.199 1.055 0.940 0.639 1.000 0.600 N 0.806 6 residues pruned to eliminate duplicates Z: 23 39.184 2.340 0.931 0.631 0.909 0.682 CA 1.799 23 residues pruned to eliminate duplicates Z: 25 30.020 2.165 0.785 0.524 0.917 0.708 CB 1.690 25 residues pruned to eliminate duplicates Z: 7 7.171 1.916 0.007 0.846 1.000 0.667 CA 1.127 7 residues pruned to eliminate duplicates Z: 14 21.490 2.214 0.756 0.604 0.846 0.692 CA 1.640 14 residues pruned to eliminate duplicates Z: 29 11.029 1.680 0.482 0.463 0.857 0.500 CB 1.015 13 residues pruned to eliminate duplicates Z: 6 4.363 1.935 0.295 0.382 0.800 0.400 CB 1.103 6 residues pruned to eliminate duplicates Z: 32 38.450 2.217 0.852 0.595 0.968 0.742 CB 1.588 32 residues pruned to eliminate duplicates Z: 10 15.068 2.103 0.418 0.854 1.000 0.556 CB 1.244 10 residues pruned to eliminate duplicates Z: 21 19.231 2.023 0.341 0.576 0.950 0.600 CB 1.551 21 residues pruned to eliminate duplicates Z: 134 55.049 2.169 0.663 0.529 0.895 0.609 CB 1.438 134 residues pruned to eliminate duplicates Z: 40 39.527 2.236 0.679 0.642 0.923 0.667 CB 1.599 40 residues pruned to eliminate duplicates Z: 40 24.216 2.115 0.453 0.467 0.897 0.590 CB 1.455 40 residues pruned to eliminate duplicates Z: 22 21.039 1.765 0.814 0.662 0.952 0.762 CB 1.296 22 residues pruned to eliminate duplicates Z: 32 19.277 2.085 0.416 0.470 0.871 0.548 CB 1.387 32 residues pruned to eliminate duplicates Z: 59 38.906 2.173 0.628 0.588 0.914 0.759 CB 1.453 59 residues pruned to eliminate duplicates Z: 6 2.966 1.468 0.121 0.609 1.000 0.600 CA 0.727 6 residues pruned to eliminate duplicates Z: 87 50.271 2.193 0.665 0.568 0.930 0.628 CB 1.494 87 residues pruned to eliminate duplicates Z: 14 27.603 2.242 0.684 0.738 1.000 0.692 CA 1.639 14 residues pruned to eliminate duplicates Z: 26 15.780 1.730 0.719 0.547 0.920 0.680 CB 1.101 29 residues pruned to eliminate duplicates Z: 55 42.518 2.226 0.708 0.585 0.944 0.611 CB 1.486 55 residues pruned to eliminate duplicates Z: 10 21.197 1.891 1.269 0.792 0.889 0.889 CA 1.435 10 residues pruned to eliminate duplicates Z: 17 21.062 2.270 0.560 0.509 1.000 0.625 CB 1.473 17 residues pruned to eliminate duplicates Z: 11 3.930 1.273 0.426 0.252 1.000 0.500 CB 0.910 16 residues pruned to eliminate duplicates Z: 11 14.599 1.940 0.740 0.859 0.900 0.800 CB 1.118 11 residues pruned to eliminate duplicates Z: 19 24.182 2.189 0.467 0.555 0.944 0.667 CA 1.781 19 residues pruned to eliminate duplicates Z: 33 30.343 2.198 0.783 0.474 0.906 0.719 CB 1.549 33 residues pruned to eliminate duplicates Z: 102 72.672 2.221 1.006 0.586 0.950 0.772 CB 1.573 101 residues pruned to eliminate duplicates Z: 33 39.394 2.228 0.864 0.560 0.969 0.844 CB 1.632 33 residues pruned to eliminate duplicates Z: 16 33.387 2.261 0.649 0.849 1.000 0.733 CA 1.713 16 residues pruned to eliminate duplicates Z: 8 12.855 1.953 0.717 0.480 1.000 0.571 CB 1.478 8 residues pruned to eliminate duplicates Z: 6 8.957 2.013 0.671 0.661 0.800 0.200 CA 1.282 6 residues pruned to eliminate duplicates Z: 8 8.904 1.739 0.746 0.659 1.000 0.857 CB 0.957 8 residues pruned to eliminate duplicates Z: 9 7.417 2.047 0.377 0.417 0.625 0.500 CA 1.623 9 residues pruned to eliminate duplicates Z: 25 21.309 2.012 0.715 0.478 0.875 0.708 CB 1.473 25 residues pruned to eliminate duplicates Z: 6 10.394 1.792 0.785 0.683 1.000 0.600 C 1.228 6 residues pruned to eliminate duplicates Z: 12 14.525 2.114 0.655 0.385 0.909 0.545 CB 1.556 12 residues pruned to eliminate duplicates Z: 19 13.511 1.755 0.680 0.566 0.944 0.778 CB 1.073 19 residues pruned to eliminate duplicates Z: 24 17.543 1.834 0.730 0.627 0.870 0.739 CB 1.177 25 residues pruned to eliminate duplicates Z: 11 13.695 2.016 0.534 0.900 1.000 0.800 CB 1.000 11 residues pruned to eliminate duplicates Z: 44 44.012 2.259 0.818 0.647 0.860 0.698 CB 1.656 44 residues pruned to eliminate duplicates Z: 65 49.720 2.189 0.889 0.483 0.875 0.641 CB 1.749 65 residues pruned to eliminate duplicates Z: 29 26.425 2.075 0.577 0.526 0.964 0.643 CB 1.541 29 residues pruned to eliminate duplicates Z: 21 13.671 1.844 0.618 0.529 0.800 0.350 CB 1.245 13 residues pruned to eliminate duplicates 6 1.853 1.205 0.681 0.349 0.800 0.600 CA 0.602 ? Z: 10 7.398 1.613 0.642 0.632 0.889 0.667 CB 0.925 10 residues pruned to eliminate duplicates Z: 37 35.988 2.211 0.872 0.475 0.917 0.556 CA 1.621 37 residues pruned to eliminate duplicates Z: 9 11.866 2.013 0.556 0.580 0.875 0.750 CB 1.416 9 residues pruned to eliminate duplicates Z: 16 15.963 2.022 0.504 0.621 0.800 0.667 CB 1.512 17 residues pruned to eliminate duplicates Z: 7 3.870 1.723 0.421 0.546 0.833 0.833 CB 0.741 Z: 8 4.188 1.535 0.229 0.363 0.857 0.286 CB 1.135 7 residues pruned to eliminate duplicates Z: 6 3.192 1.506 0.266 0.841 1.000 1.000 CB 0.558 Z: 15 8.944 1.735 0.634 0.491 0.857 0.500 CB 0.993 15 residues pruned to eliminate duplicates Z: 59 41.527 2.155 0.799 0.460 0.948 0.707 CB 1.545 59 residues pruned to eliminate duplicates Z: 11 8.095 1.764 0.720 0.407 0.800 0.700 CB 1.163 11 residues pruned to eliminate duplicates Z: 31 19.128 1.994 0.381 0.529 0.867 0.633 CB 1.422 31 residues pruned to eliminate duplicates Z: 84 52.320 2.249 0.729 0.560 0.892 0.675 CB 1.562 84 residues pruned to eliminate duplicates Z: 13 32.333 2.252 0.761 0.912 1.000 0.917 CA 1.666 13 residues pruned to eliminate duplicates Z: 14 33.358 2.364 0.629 0.859 1.000 0.615 CB 1.768 14 residues pruned to eliminate duplicates Z: 11 16.258 1.929 0.477 0.860 1.000 0.700 CB 1.327 11 residues pruned to eliminate duplicates Z: 34 20.812 1.956 0.466 0.513 0.939 0.606 CB 1.327 34 residues pruned to eliminate duplicates Z: 33 37.459 2.221 0.879 0.565 0.938 0.781 CB 1.590 33 residues pruned to eliminate duplicates Z: 8 2.426 1.536 0.433 0.291 0.714 0.286 CB 0.737 Z: 9 9.609 1.911 0.569 0.566 0.875 0.625 CA 1.215 Z: 14 27.283 2.141 0.921 0.793 0.923 0.538 CB 1.541 14 residues pruned to eliminate duplicates Z: 15 14.355 1.901 0.829 0.597 0.929 0.714 CB 1.084 15 residues pruned to eliminate duplicates Z: 23 20.969 1.948 0.515 0.622 0.864 0.682 CB 1.564 23 residues pruned to eliminate duplicates Z: 6 3.960 1.501 -0.116 0.791 1.000 0.800 CA 1.033 6 residues pruned to eliminate duplicates Z: 22 12.530 1.960 0.173 0.490 0.905 0.476 CB 1.328 22 residues pruned to eliminate duplicates Z: 74 50.796 2.238 0.749 0.487 0.918 0.685 CB 1.677 48 residues pruned to eliminate duplicates Z: 43 61.289 2.343 0.981 0.673 0.976 0.667 CB 1.779 43 residues pruned to eliminate duplicates Z: 32 58.871 2.364 1.064 0.703 1.000 0.742 CA 1.802 32 residues pruned to eliminate duplicates Z: 19 11.519 1.799 0.364 0.544 0.944 0.556 CB 1.122 19 residues pruned to eliminate duplicates Z: 25 17.563 2.008 0.697 0.437 0.917 0.625 CB 1.225 25 residues pruned to eliminate duplicates Z: 18 8.917 1.944 0.062 0.332 0.882 0.412 CB 1.427 18 residues pruned to eliminate duplicates Z: 13 15.763 1.960 0.478 0.689 0.917 0.750 CB 1.440 Z: 57 38.228 2.215 0.784 0.513 0.893 0.643 CB 1.429 57 residues pruned to eliminate duplicates Z: 34 57.939 2.335 1.045 0.661 1.000 0.636 CB 1.818 34 residues pruned to eliminate duplicates Z: 9 8.415 1.829 0.526 0.456 0.875 0.500 CB 1.276 9 residues pruned to eliminate duplicates Z: 11 24.482 1.841 1.518 0.793 0.900 0.900 CA 1.435 11 residues pruned to eliminate duplicates Z: 46 49.314 2.335 0.757 0.577 0.956 0.622 CB 1.741 46 residues pruned to eliminate duplicates Z: 12 15.174 1.894 0.699 0.669 1.000 0.818 CA 1.216 12 residues pruned to eliminate duplicates Z: 17 21.609 2.072 0.507 0.563 0.938 0.812 CB 1.737 17 residues pruned to eliminate duplicates Z: 16 18.764 1.766 0.970 0.601 0.867 0.667 CA 1.460 16 residues pruned to eliminate duplicates Z: 38 34.842 2.303 0.619 0.536 0.892 0.703 CB 1.663 38 residues pruned to eliminate duplicates Z: 54 36.398 2.175 0.727 0.586 0.811 0.623 CB 1.511 54 residues pruned to eliminate duplicates Z: 46 44.247 2.242 0.825 0.621 0.933 0.733 CB 1.541 53 residues pruned to eliminate duplicates Z: 84 51.319 2.220 0.688 0.560 0.904 0.614 CB 1.569 84 residues pruned to eliminate duplicates Z: 45 31.411 2.109 0.739 0.563 0.864 0.705 CB 1.406 58 residues pruned to eliminate duplicates Z: 12 16.677 2.155 0.812 0.685 1.000 0.727 CB 1.087 12 residues pruned to eliminate duplicates Z: 10 19.299 2.180 0.424 0.909 1.000 0.889 CA 1.471 10 residues pruned to eliminate duplicates Z: 17 21.022 2.105 0.690 0.490 0.875 0.625 C 1.707 17 residues pruned to eliminate duplicates Z: 24 18.219 1.909 0.941 0.368 0.826 0.565 CB 1.430 24 residues pruned to eliminate duplicates Z: 6 8.652 1.572 0.436 0.821 1.000 0.600 O 1.297 6 residues pruned to eliminate duplicates Z: 8 5.703 1.727 0.192 0.354 0.857 0.571 CA 1.432 7 residues pruned to eliminate duplicates Z: 69 58.919 2.254 0.847 0.612 0.956 0.721 CB 1.614 69 residues pruned to eliminate duplicates Z: 12 14.291 1.687 0.784 0.678 0.909 0.636 CB 1.337 12 residues pruned to eliminate duplicates Z: 30 30.049 2.165 0.780 0.516 0.862 0.690 CB 1.653 30 residues pruned to eliminate duplicates Z: 27 37.771 2.199 0.831 0.645 0.962 0.731 CB 1.671 27 residues pruned to eliminate duplicates Z: 10 18.069 1.950 0.619 0.877 1.000 0.778 CA 1.386 10 residues pruned to eliminate duplicates Z: 9 3.697 1.610 0.026 0.395 0.750 0.625 CB 1.179 Z: 15 18.884 2.046 0.815 0.593 0.929 0.786 CB 1.340 15 residues pruned to eliminate duplicates Z: 75 67.657 2.278 0.972 0.557 0.946 0.716 CB 1.751 75 residues pruned to eliminate duplicates Z: 40 24.331 2.135 0.469 0.454 0.923 0.590 CB 1.411 40 residues pruned to eliminate duplicates Z: 24 23.722 2.102 0.662 0.585 0.870 0.609 CB 1.502 24 residues pruned to eliminate duplicates Z: 8 2.925 1.603 0.057 0.546 0.857 0.429 CB 0.728 Z: 23 30.382 2.296 0.789 0.476 0.955 0.727 CB 1.692 23 residues pruned to eliminate duplicates Z: 15 28.685 2.253 0.857 0.804 0.929 0.643 CB 1.513 15 residues pruned to eliminate duplicates Z: 9 3.931 1.342 0.585 0.355 0.750 0.375 CB 1.018 Z: 9 8.624 1.570 0.602 0.575 1.000 0.500 CA 1.127 9 residues pruned to eliminate duplicates Z: 9 11.135 1.943 0.208 0.883 1.000 1.000 CB 1.213 9 residues pruned to eliminate duplicates Z: 9 7.691 1.762 0.341 0.762 1.000 1.000 CB 0.912 9 residues pruned to eliminate duplicates Z: 6 3.279 1.425 0.218 0.474 1.000 0.400 CA 0.867 Z: 13 24.317 2.224 0.936 0.632 0.917 0.833 CA 1.570 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 23 19.827 1.891 0.732 0.610 0.955 0.818 CB 1.219 25 residues pruned to eliminate duplicates Z: 6 5.071 1.690 0.611 0.414 1.000 0.800 CA 0.912 6 residues pruned to eliminate duplicates Z: 23 21.672 1.888 0.803 0.643 0.955 0.818 CB 1.244 23 residues pruned to eliminate duplicates Z: 6 5.770 1.647 1.250 0.394 1.000 0.800 CA 0.779 6 residues pruned to eliminate duplicates Z: 23 20.622 1.907 0.682 0.603 0.955 0.727 CB 1.302 23 residues pruned to eliminate duplicates Z: 6 4.360 1.534 0.322 0.422 1.000 0.600 CA 1.043 6 residues pruned to eliminate duplicates Z: 23 20.968 1.899 0.756 0.648 0.955 0.818 CB 1.223 23 residues pruned to eliminate duplicates Z: 24 17.875 1.835 0.791 0.631 0.870 0.739 CB 1.153 24 residues pruned to eliminate duplicates Z: 12 12.085 1.789 0.667 0.584 0.909 0.636 CB 1.240 12 residues pruned to eliminate duplicates Z: 6 5.534 1.559 0.882 0.270 1.000 0.400 CB 1.096 6 residues pruned to eliminate duplicates Z: 12 8.820 1.752 0.558 0.453 1.000 0.636 CB 1.023 12 residues pruned to eliminate duplicates Z: 6 3.693 1.944 0.149 0.379 1.000 0.600 CA 0.840 6 residues pruned to eliminate duplicates Z: 22 16.959 1.807 0.783 0.453 0.857 0.381 CB 1.406 18 residues pruned to eliminate duplicates Z: 6 4.427 1.676 0.241 0.386 1.000 0.600 CA 1.075 6 residues pruned to eliminate duplicates Z: 18 14.950 1.885 0.473 0.453 0.941 0.471 CA 1.455 18 residues pruned to eliminate duplicates Z: 25 24.022 2.082 0.763 0.342 0.917 0.542 CA 1.731 25 residues pruned to eliminate duplicates Z: 30 27.645 2.134 0.701 0.462 0.897 0.586 CB 1.641 30 residues pruned to eliminate duplicates Z: 10 15.346 2.316 0.439 0.592 0.778 0.667 CB 1.807 10 residues pruned to eliminate duplicates Z: 27 28.976 2.192 0.638 0.468 0.962 0.577 CB 1.701 27 residues pruned to eliminate duplicates Z: 10 18.234 2.272 0.475 0.593 1.000 0.778 CB 1.660 10 residues pruned to eliminate duplicates Z: 26 21.852 1.974 0.595 0.481 0.880 0.480 CB 1.607 26 residues pruned to eliminate duplicates Z: 20 20.379 2.122 0.485 0.433 0.895 0.632 CB 1.776 20 residues pruned to eliminate duplicates Z: 23 20.836 2.091 0.632 0.420 0.864 0.500 CB 1.639 23 residues pruned to eliminate duplicates Z: 28 32.789 2.202 0.662 0.509 0.963 0.593 CA 1.774 28 residues pruned to eliminate duplicates Z: 33 22.794 1.980 0.526 0.448 0.938 0.500 CB 1.501 33 residues pruned to eliminate duplicates Z: 13 15.236 2.035 0.839 0.326 0.917 0.500 CB 1.552 14 residues pruned to eliminate duplicates Z: 6 5.624 1.691 1.180 0.322 0.800 0.400 CA 1.038 6 residues pruned to eliminate duplicates Z: 14 22.857 2.076 1.120 0.382 1.000 0.692 CA 1.633 14 residues pruned to eliminate duplicates Z: 15 15.905 1.995 0.989 0.360 0.857 0.571 CB 1.454 15 residues pruned to eliminate duplicates Z: 12 24.671 2.180 1.272 0.475 0.909 0.818 CA 1.695 12 residues pruned to eliminate duplicates Z: 19 32.349 2.263 0.709 0.732 1.000 0.667 CB 1.599 19 residues pruned to eliminate duplicates Z: 49 45.436 2.229 0.919 0.528 0.896 0.708 CB 1.665 58 residues pruned to eliminate duplicates Z: 32 51.038 2.297 1.054 0.646 0.968 0.710 CB 1.753 32 residues pruned to eliminate duplicates Z: 81 69.015 2.298 0.943 0.544 0.963 0.738 CB 1.720 81 residues pruned to eliminate duplicates Z: 129 75.907 2.269 0.854 0.569 0.906 0.688 CB 1.646 129 residues pruned to eliminate duplicates Z: 80 69.418 2.302 0.937 0.558 0.949 0.722 CB 1.744 80 residues pruned to eliminate duplicates Z: 83 60.999 2.266 0.876 0.535 0.915 0.634 CB 1.674 83 residues pruned to eliminate duplicates Z: 73 52.526 2.216 0.906 0.481 0.917 0.611 CB 1.630 73 residues pruned to eliminate duplicates Z: 32 44.904 2.296 1.045 0.544 0.968 0.645 CB 1.700 32 residues pruned to eliminate duplicates Z: 15 17.887 2.038 1.132 0.441 0.786 0.643 CB 1.488 15 residues pruned to eliminate duplicates Z: 34 41.357 2.234 1.197 0.518 0.909 0.697 CB 1.585 47 residues pruned to eliminate duplicates Z: 6 2.151 1.274 1.272 0.318 0.600 0.600 C 0.677 6 residues pruned to eliminate duplicates Z: 34 38.957 2.185 1.116 0.522 0.909 0.606 CB 1.578 34 residues pruned to eliminate duplicates Z: 15 17.517 2.037 0.988 0.380 0.857 0.643 CB 1.534 15 residues pruned to eliminate duplicates Z: 73 60.248 2.256 0.985 0.503 0.931 0.667 CB 1.698 73 residues pruned to eliminate duplicates Z: 33 43.481 2.263 1.030 0.539 0.969 0.656 CB 1.662 33 residues pruned to eliminate duplicates Z: 39 36.171 2.199 0.874 0.466 0.921 0.632 CB 1.599 39 residues pruned to eliminate duplicates Z: 34 41.129 2.216 0.940 0.548 0.970 0.788 CB 1.639 34 residues pruned to eliminate duplicates Z: 34 43.163 2.245 1.042 0.534 0.939 0.758 CB 1.687 34 residues pruned to eliminate duplicates Z: 36 36.511 2.191 0.956 0.514 0.857 0.657 CB 1.657 36 residues pruned to eliminate duplicates Z: 71 66.539 2.304 1.038 0.498 0.971 0.729 CB 1.747 71 residues pruned to eliminate duplicates Z: 89 59.784 2.261 0.908 0.512 0.875 0.625 CB 1.669 89 residues pruned to eliminate duplicates Z: 71 57.863 2.287 1.064 0.497 0.871 0.686 CB 1.687 71 residues pruned to eliminate duplicates Z: 88 66.654 2.241 0.970 0.513 0.966 0.609 CB 1.655 40 residues pruned to eliminate duplicates Z: 19 30.914 2.255 0.705 0.766 0.944 0.611 CA 1.586 19 residues pruned to eliminate duplicates Z: 32 55.577 2.353 1.096 0.676 0.968 0.710 CB 1.779 32 residues pruned to eliminate duplicates Z: 79 72.000 2.338 1.015 0.557 0.949 0.718 CB 1.726 79 residues pruned to eliminate duplicates Z: 50 48.510 2.242 0.984 0.545 0.898 0.653 CB 1.660 50 residues pruned to eliminate duplicates Z: 34 44.478 2.212 0.971 0.632 0.939 0.727 CB 1.669 34 residues pruned to eliminate duplicates Z: 49 52.116 2.321 0.816 0.606 0.938 0.646 CB 1.722 49 residues pruned to eliminate duplicates Z: 25 33.605 2.168 0.651 0.712 0.958 0.792 CA 1.650 25 residues pruned to eliminate duplicates Z: 80 66.195 2.310 0.914 0.550 0.937 0.722 CB 1.713 80 residues pruned to eliminate duplicates Z: 45 54.421 2.305 0.898 0.636 0.955 0.682 CB 1.729 45 residues pruned to eliminate duplicates Z: 44 52.827 2.362 0.875 0.624 0.907 0.698 CB 1.784 44 residues pruned to eliminate duplicates Z: 44 52.606 2.339 0.801 0.615 0.977 0.744 CB 1.748 44 residues pruned to eliminate duplicates Z: 45 49.839 2.317 0.818 0.603 0.932 0.750 CB 1.736 45 residues pruned to eliminate duplicates Z: 49 46.284 2.302 0.775 0.579 0.896 0.646 CB 1.691 49 residues pruned to eliminate duplicates Z: 46 48.792 2.272 0.843 0.580 0.933 0.622 CB 1.723 46 residues pruned to eliminate duplicates Z: 50 48.281 2.277 0.748 0.567 0.918 0.653 CB 1.768 50 residues pruned to eliminate duplicates Z: 82 64.206 2.278 0.869 0.555 0.926 0.753 CB 1.715 82 residues pruned to eliminate duplicates Z: 80 66.179 2.294 0.895 0.561 0.937 0.620 CB 1.723 80 residues pruned to eliminate duplicates Z: 73 58.033 2.265 0.962 0.515 0.903 0.694 CB 1.681 73 residues pruned to eliminate duplicates Z: 43 59.138 2.362 0.893 0.640 0.976 0.738 CB 1.833 43 residues pruned to eliminate duplicates Z: 45 49.398 2.307 0.748 0.606 0.955 0.750 CB 1.749 45 residues pruned to eliminate duplicates Z: 128 79.806 2.276 0.863 0.593 0.921 0.748 CB 1.660 125 residues pruned to eliminate duplicates Z: 6 5.527 1.887 0.825 0.308 1.000 0.600 CA 0.889 Z: 6 9.144 1.803 1.503 0.343 1.000 0.600 CA 1.075 4 residues pruned to eliminate duplicates Z: 6 3.624 1.647 0.806 0.213 0.600 0.600 CA 1.274 6 residues pruned to eliminate duplicates Z: 80 72.801 2.297 1.008 0.583 0.949 0.696 CB 1.728 88 residues pruned to eliminate duplicates Z: 81 71.532 2.296 0.973 0.580 0.963 0.688 CB 1.698 81 residues pruned to eliminate duplicates Z: 79 75.655 2.306 1.011 0.607 0.974 0.795 CB 1.713 79 residues pruned to eliminate duplicates Z: 79 70.272 2.332 0.977 0.561 0.949 0.731 CB 1.714 79 residues pruned to eliminate duplicates Z: 39 37.402 2.188 0.862 0.494 0.921 0.684 CB 1.626 39 residues pruned to eliminate duplicates Z: 39 43.840 2.219 1.052 0.513 0.921 0.579 CB 1.674 39 residues pruned to eliminate duplicates Z: 82 69.623 2.259 1.001 0.555 0.951 0.716 CB 1.707 82 residues pruned to eliminate duplicates Z: 6 9.335 1.950 1.098 0.334 1.000 1.000 CA 1.223 6 residues pruned to eliminate duplicates Z: 38 48.039 2.240 1.108 0.551 0.946 0.649 CB 1.681 38 residues pruned to eliminate duplicates Z: 33 44.567 2.254 1.234 0.542 0.906 0.625 CB 1.657 33 residues pruned to eliminate duplicates Z: 48 42.446 2.236 0.984 0.549 0.915 0.681 CB 1.455 48 residues pruned to eliminate duplicates Z: 33 36.858 2.199 1.042 0.501 0.906 0.750 CB 1.599 33 residues pruned to eliminate duplicates Z: 31 45.988 2.305 1.057 0.553 0.967 0.767 CB 1.739 31 residues pruned to eliminate duplicates Z: 34 43.507 2.246 1.144 0.536 0.939 0.788 CB 1.616 34 residues pruned to eliminate duplicates Z: 81 69.476 2.274 0.972 0.581 0.950 0.700 CB 1.686 81 residues pruned to eliminate duplicates Z: 34 40.313 2.219 1.077 0.516 0.939 0.727 CB 1.595 34 residues pruned to eliminate duplicates Z: 38 34.162 2.155 1.029 0.476 0.838 0.676 CB 1.572 38 residues pruned to eliminate duplicates Z: 36 48.439 2.301 1.045 0.540 0.971 0.686 CB 1.723 36 residues pruned to eliminate duplicates Z: 38 38.151 2.209 1.037 0.496 0.865 0.703 CB 1.619 38 residues pruned to eliminate duplicates Z: 37 44.343 2.290 1.019 0.523 0.917 0.722 CB 1.705 37 residues pruned to eliminate duplicates Z: 40 36.359 2.213 0.858 0.478 0.949 0.769 CB 1.526 40 residues pruned to eliminate duplicates Z: 88 60.718 2.203 0.951 0.567 0.920 0.690 CB 1.543 86 residues pruned to eliminate duplicates Z: 6 4.577 1.519 0.670 0.447 1.000 0.600 CA 0.852 6 residues pruned to eliminate duplicates Z: 28 25.193 2.162 0.749 0.513 0.889 0.741 CB 1.424 28 residues pruned to eliminate duplicates Z: 84 62.866 2.225 0.985 0.576 0.940 0.675 CB 1.545 84 residues pruned to eliminate duplicates Z: 7 7.099 1.734 0.548 0.390 0.833 0.500 CB 1.456 7 residues pruned to eliminate duplicates Z: 19 14.891 2.015 0.753 0.410 0.944 0.611 CB 1.156 19 residues pruned to eliminate duplicates Z: 80 59.596 2.227 0.964 0.550 0.937 0.658 CB 1.560 80 residues pruned to eliminate duplicates Z: 131 82.966 2.277 0.873 0.598 0.954 0.731 CB 1.628 131 residues pruned to eliminate duplicates Z: 52 30.830 2.146 0.573 0.531 0.863 0.627 CB 1.438 84 residues pruned to eliminate duplicates Z: 57 37.094 2.124 0.705 0.563 0.911 0.661 CB 1.414 57 residues pruned to eliminate duplicates Z: 34 32.919 2.163 0.733 0.657 0.909 0.606 CB 1.454 34 residues pruned to eliminate duplicates Z: 125 83.019 2.261 0.966 0.596 0.944 0.750 CB 1.622 125 residues pruned to eliminate duplicates Z: 61 31.951 1.977 0.713 0.571 0.867 0.600 CB 1.313 64 residues pruned to eliminate duplicates Z: 16 31.608 2.252 0.585 0.890 1.000 0.933 CB 1.645 16 residues pruned to eliminate duplicates Z: 33 37.713 2.201 0.831 0.658 0.938 0.594 CB 1.524 33 residues pruned to eliminate duplicates Z: 46 37.927 2.208 0.709 0.629 0.889 0.667 CB 1.492 46 residues pruned to eliminate duplicates Z: 44 32.687 2.112 0.699 0.606 0.860 0.605 CB 1.460 44 residues pruned to eliminate duplicates Z: 126 77.932 2.263 0.906 0.580 0.912 0.712 CB 1.641 126 residues pruned to eliminate duplicates Z: 42 36.146 2.171 0.794 0.631 0.878 0.732 CB 1.461 42 residues pruned to eliminate duplicates Z: 50 41.173 2.219 0.765 0.607 0.918 0.592 CB 1.478 50 residues pruned to eliminate duplicates Z: 40 39.472 2.192 0.848 0.624 0.897 0.615 CB 1.547 40 residues pruned to eliminate duplicates Z: 32 37.599 2.214 0.785 0.687 0.935 0.645 CB 1.539 32 residues pruned to eliminate duplicates Z: 42 40.059 2.221 0.793 0.636 0.902 0.707 CB 1.533 42 residues pruned to eliminate duplicates Z: 33 36.107 2.197 0.820 0.676 0.906 0.656 CB 1.498 33 residues pruned to eliminate duplicates Z: 84 63.077 2.231 0.921 0.576 0.940 0.675 CB 1.597 84 residues pruned to eliminate duplicates Z: 54 43.845 2.191 0.844 0.608 0.887 0.717 CB 1.517 54 residues pruned to eliminate duplicates Z: 130 81.738 2.252 0.907 0.601 0.938 0.674 CB 1.623 130 residues pruned to eliminate duplicates Z: 11 18.594 2.178 0.572 0.834 0.900 0.400 CA 1.430 11 residues pruned to eliminate duplicates Z: 89 58.556 2.201 0.900 0.569 0.898 0.670 CB 1.555 89 residues pruned to eliminate duplicates Z: 46 33.570 2.091 0.655 0.585 0.889 0.578 CB 1.499 46 residues pruned to eliminate duplicates Z: 94 67.774 2.256 0.943 0.574 0.935 0.742 CB 1.596 94 residues pruned to eliminate duplicates Z: 126 83.629 2.279 0.942 0.621 0.936 0.704 CB 1.610 126 residues pruned to eliminate duplicates Z: 99 57.174 2.104 0.891 0.579 0.918 0.673 CB 1.466 99 residues pruned to eliminate duplicates Z: 33 34.329 2.209 0.751 0.662 0.875 0.531 CB 1.543 33 residues pruned to eliminate duplicates Z: 42 35.125 2.102 0.830 0.575 0.902 0.659 CB 1.469 42 residues pruned to eliminate duplicates Z: 46 34.444 2.086 0.688 0.570 0.911 0.667 CB 1.495 46 residues pruned to eliminate duplicates Z: 66 39.106 2.077 0.765 0.522 0.877 0.600 CB 1.477 66 residues pruned to eliminate duplicates Z: 32 36.462 2.200 0.721 0.696 0.935 0.581 CB 1.545 32 residues pruned to eliminate duplicates Z: 89 62.246 2.201 0.930 0.559 0.932 0.739 CB 1.582 89 residues pruned to eliminate duplicates Z: 53 40.776 2.145 0.830 0.581 0.904 0.635 CB 1.475 53 residues pruned to eliminate duplicates Z: 74 59.123 2.271 0.835 0.576 0.904 0.630 CB 1.707 74 residues pruned to eliminate duplicates Z: 31 56.787 2.413 1.045 0.670 0.967 0.633 CB 1.858 31 residues pruned to eliminate duplicates Z: 82 68.547 2.303 0.997 0.561 0.914 0.679 CB 1.708 81 residues pruned to eliminate duplicates Z: 15 32.643 2.255 0.755 0.795 0.929 0.786 CA 1.834 15 residues pruned to eliminate duplicates Z: 51 51.581 2.289 0.928 0.569 0.920 0.620 CA 1.680 51 residues pruned to eliminate duplicates Z: 47 56.811 2.407 1.068 0.595 0.848 0.696 CB 1.813 47 residues pruned to eliminate duplicates Z: 46 55.895 2.383 0.995 0.599 0.889 0.667 CA 1.793 46 residues pruned to eliminate duplicates Z: 47 55.625 2.333 1.004 0.572 0.935 0.652 CB 1.751 47 residues pruned to eliminate duplicates Z: 45 55.788 2.387 1.007 0.591 0.909 0.545 CA 1.770 45 residues pruned to eliminate duplicates Z: 51 59.518 2.324 1.000 0.601 0.940 0.620 CB 1.751 51 residues pruned to eliminate duplicates Z: 19 40.002 2.269 1.103 0.749 0.889 0.556 CA 1.780 19 residues pruned to eliminate duplicates Z: 51 51.303 2.303 0.980 0.547 0.900 0.580 CB 1.688 51 residues pruned to eliminate duplicates Z: 50 53.488 2.270 0.958 0.583 0.959 0.612 CB 1.654 50 residues pruned to eliminate duplicates Z: 127 79.386 2.304 0.816 0.595 0.921 0.675 CB 1.678 127 residues pruned to eliminate duplicates Z: 34 58.010 2.341 1.050 0.671 1.000 0.697 CB 1.796 34 residues pruned to eliminate duplicates Z: 81 64.959 2.312 0.931 0.576 0.887 0.637 CB 1.704 81 residues pruned to eliminate duplicates Z: 45 55.592 2.381 1.044 0.581 0.909 0.568 CA 1.752 45 residues pruned to eliminate duplicates Z: 35 53.196 2.311 1.063 0.653 0.971 0.559 CB 1.710 35 residues pruned to eliminate duplicates Z: 45 65.423 2.373 1.078 0.646 0.977 0.682 CA 1.786 45 residues pruned to eliminate duplicates Z: 46 55.757 2.315 1.043 0.598 0.911 0.644 CB 1.757 46 residues pruned to eliminate duplicates Z: 34 46.845 2.279 1.159 0.614 0.848 0.606 CB 1.753 34 residues pruned to eliminate duplicates Z: 61 60.263 2.328 1.032 0.519 0.917 0.633 CB 1.761 61 residues pruned to eliminate duplicates Z: 134 73.791 2.274 0.777 0.584 0.917 0.624 CB 1.592 134 residues pruned to eliminate duplicates Z: 46 55.342 2.346 0.968 0.596 0.956 0.711 CB 1.707 46 residues pruned to eliminate duplicates Z: 42 45.144 2.207 0.889 0.582 0.927 0.561 CB 1.687 42 residues pruned to eliminate duplicates Z: 34 54.674 2.341 1.074 0.676 0.939 0.727 CB 1.776 34 residues pruned to eliminate duplicates Z: 117 78.946 2.311 0.844 0.578 0.931 0.716 CB 1.713 117 residues pruned to eliminate duplicates Z: 45 56.845 2.363 1.003 0.624 0.909 0.682 CA 1.772 45 residues pruned to eliminate duplicates Z: 31 59.202 2.374 1.044 0.710 1.000 0.667 CB 1.840 31 residues pruned to eliminate duplicates Z: 44 62.733 2.342 1.099 0.655 0.953 0.698 CB 1.768 44 residues pruned to eliminate duplicates Z: 43 61.718 2.381 1.011 0.672 0.952 0.738 CB 1.782 43 residues pruned to eliminate duplicates Z: 92 59.902 2.300 0.713 0.573 0.923 0.714 CB 1.609 92 residues pruned to eliminate duplicates Z: 60 59.303 2.360 0.996 0.558 0.915 0.644 CB 1.692 60 residues pruned to eliminate duplicates Z: 47 54.757 2.340 1.011 0.597 0.935 0.674 CB 1.672 47 residues pruned to eliminate duplicates Z: 13 25.475 2.363 1.112 0.567 0.833 0.583 CB 1.657 13 residues pruned to eliminate duplicates Z: 13 26.917 2.358 0.987 0.576 0.917 0.667 CA 1.681 13 residues pruned to eliminate duplicates Z: 45 53.887 2.364 1.037 0.595 0.886 0.614 CB 1.739 45 residues pruned to eliminate duplicates Z: 44 60.648 2.375 1.071 0.633 0.930 0.651 CB 1.784 44 residues pruned to eliminate duplicates Z: 13 23.822 2.330 1.002 0.564 0.833 0.667 CA 1.662 13 residues pruned to eliminate duplicates Z: 12 29.796 2.366 1.093 0.592 0.909 0.727 CA 1.827 12 residues pruned to eliminate duplicates Z: 44 60.959 2.353 1.146 0.629 0.930 0.651 CB 1.754 44 residues pruned to eliminate duplicates Z: 50 44.709 2.268 0.848 0.526 0.939 0.694 CB 1.582 50 residues pruned to eliminate duplicates Z: 16 25.310 2.385 1.017 0.484 0.800 0.667 CB 1.726 16 residues pruned to eliminate duplicates Z: 30 38.563 2.315 1.024 0.463 0.931 0.724 CB 1.705 30 residues pruned to eliminate duplicates Z: 96 60.806 2.264 0.766 0.564 0.937 0.684 CB 1.564 96 residues pruned to eliminate duplicates Z: 44 30.696 2.195 0.606 0.474 0.884 0.651 CB 1.543 44 residues pruned to eliminate duplicates Z: 53 47.243 2.313 0.714 0.544 0.962 0.692 CB 1.646 53 residues pruned to eliminate duplicates Z: 132 78.289 2.288 0.806 0.594 0.924 0.656 CB 1.637 132 residues pruned to eliminate duplicates Z: 83 70.219 2.322 0.890 0.580 0.951 0.671 CB 1.719 83 residues pruned to eliminate duplicates Z: 86 58.810 2.263 0.701 0.593 0.929 0.659 CB 1.631 86 residues pruned to eliminate duplicates Z: 83 55.530 2.270 0.794 0.548 0.878 0.732 CB 1.636 83 residues pruned to eliminate duplicates Z: 131 75.434 2.275 0.842 0.587 0.900 0.692 CB 1.613 131 residues pruned to eliminate duplicates Z: 16 16.137 2.128 0.751 0.312 0.867 0.400 CB 1.590 16 residues pruned to eliminate duplicates Z: 82 55.608 2.257 0.673 0.596 0.926 0.642 CB 1.612 82 residues pruned to eliminate duplicates Z: 130 79.429 2.297 0.834 0.595 0.922 0.643 CB 1.643 130 residues pruned to eliminate duplicates Z: 87 54.935 2.215 0.707 0.581 0.942 0.593 CB 1.539 87 residues pruned to eliminate duplicates Z: 38 35.908 2.276 0.622 0.530 0.919 0.676 CB 1.688 38 residues pruned to eliminate duplicates Z: 37 33.615 2.288 0.542 0.579 0.944 0.806 CB 1.558 37 residues pruned to eliminate duplicates Z: 92 54.059 2.203 0.675 0.567 0.923 0.637 CB 1.559 92 residues pruned to eliminate duplicates Z: 27 34.363 2.278 0.789 0.603 0.923 0.731 CB 1.625 27 residues pruned to eliminate duplicates Z: 53 46.905 2.269 0.808 0.549 0.962 0.769 CB 1.572 53 residues pruned to eliminate duplicates Z: 128 80.363 2.292 0.839 0.591 0.937 0.654 CB 1.656 128 residues pruned to eliminate duplicates Z: 124 70.999 2.261 0.768 0.596 0.911 0.650 CB 1.605 124 residues pruned to eliminate duplicates Z: 81 55.627 2.261 0.647 0.584 0.950 0.637 CB 1.621 81 residues pruned to eliminate duplicates Z: 80 57.421 2.272 0.693 0.594 0.962 0.684 CB 1.596 80 residues pruned to eliminate duplicates Z: 119 55.236 2.205 0.620 0.546 0.890 0.585 CB 1.529 119 residues pruned to eliminate duplicates Z: 84 55.761 2.246 0.686 0.592 0.916 0.675 CB 1.617 84 residues pruned to eliminate duplicates Z: 88 50.664 2.182 0.716 0.556 0.908 0.632 CB 1.513 88 residues pruned to eliminate duplicates Z: 86 69.256 2.272 0.944 0.576 0.965 0.671 CB 1.639 86 residues pruned to eliminate duplicates Z: 29 34.388 2.216 0.743 0.562 0.964 0.786 CB 1.643 29 residues pruned to eliminate duplicates Z: 130 76.528 2.271 0.872 0.578 0.899 0.659 CB 1.635 130 residues pruned to eliminate duplicates Z: 81 60.034 2.256 0.750 0.591 0.963 0.725 CB 1.619 81 residues pruned to eliminate duplicates Z: 90 52.113 2.179 0.735 0.559 0.910 0.674 CB 1.516 90 residues pruned to eliminate duplicates Z: 54 41.128 2.221 0.782 0.524 0.943 0.774 CB 1.478 54 residues pruned to eliminate duplicates Z: 80 70.642 2.344 0.976 0.578 0.937 0.671 CB 1.699 80 residues pruned to eliminate duplicates Z: 133 80.227 2.295 0.830 0.608 0.909 0.652 CB 1.651 133 residues pruned to eliminate duplicates Z: 48 29.844 2.062 0.636 0.498 0.894 0.553 CB 1.448 48 residues pruned to eliminate duplicates Z: 50 39.480 2.198 0.748 0.558 0.918 0.694 CB 1.511 50 residues pruned to eliminate duplicates Z: 90 52.286 2.178 0.692 0.579 0.921 0.607 CB 1.512 90 residues pruned to eliminate duplicates Z: 88 52.513 2.196 0.651 0.585 0.931 0.655 CB 1.538 88 residues pruned to eliminate duplicates Z: 83 54.346 2.255 0.643 0.603 0.927 0.768 CB 1.584 83 residues pruned to eliminate duplicates Z: 35 41.289 2.316 0.813 0.599 0.912 0.794 CB 1.683 35 residues pruned to eliminate duplicates Z: 163 77.194 2.234 0.781 0.569 0.907 0.630 CB 1.571 163 residues pruned to eliminate duplicates Z: 76 55.705 2.266 0.803 0.619 0.907 0.720 CB 1.552 76 residues pruned to eliminate duplicates Z: 18 20.649 2.176 0.524 0.549 1.000 0.706 CB 1.440 18 residues pruned to eliminate duplicates Z: 92 50.617 2.197 0.617 0.578 0.923 0.571 CB 1.501 92 residues pruned to eliminate duplicates Z: 6 2.548 1.596 0.281 0.297 1.000 0.600 CA 0.699 6 residues pruned to eliminate duplicates Z: 90 52.439 2.226 0.699 0.566 0.921 0.584 CB 1.497 90 residues pruned to eliminate duplicates Z: 49 44.005 2.309 0.688 0.617 0.917 0.625 CB 1.591 49 residues pruned to eliminate duplicates Z: 52 36.205 2.152 0.634 0.591 0.902 0.588 CB 1.465 52 residues pruned to eliminate duplicates Z: 125 52.056 2.171 0.620 0.522 0.895 0.629 CB 1.453 125 residues pruned to eliminate duplicates Z: 86 53.919 2.214 0.712 0.562 0.929 0.671 CB 1.563 86 residues pruned to eliminate duplicates Z: 52 44.784 2.262 0.638 0.616 0.961 0.608 CB 1.580 52 residues pruned to eliminate duplicates Z: 84 56.318 2.278 0.783 0.575 0.892 0.614 CB 1.587 84 residues pruned to eliminate duplicates Z: 45 36.094 2.230 0.674 0.612 0.864 0.614 CB 1.518 45 residues pruned to eliminate duplicates Z: 48 37.336 2.162 0.713 0.603 0.936 0.660 CB 1.425 48 residues pruned to eliminate duplicates Z: 58 37.990 2.160 0.624 0.590 0.930 0.526 CB 1.416 58 residues pruned to eliminate duplicates Z: 85 47.086 2.205 0.642 0.552 0.929 0.667 CB 1.452 85 residues pruned to eliminate duplicates Z: 55 37.253 2.230 0.649 0.574 0.870 0.593 CB 1.475 55 residues pruned to eliminate duplicates Z: 67 38.835 2.118 0.678 0.582 0.894 0.636 CB 1.390 67 residues pruned to eliminate duplicates Z: 52 43.538 2.298 0.645 0.613 0.922 0.647 CB 1.572 52 residues pruned to eliminate duplicates Z: 116 59.522 2.189 0.691 0.567 0.930 0.626 CB 1.510 116 residues pruned to eliminate duplicates Z: 60 39.215 2.204 0.728 0.582 0.915 0.627 CB 1.354 60 residues pruned to eliminate duplicates Z: 51 37.812 2.217 0.642 0.596 0.960 0.620 CB 1.396 51 residues pruned to eliminate duplicates Z: 70 47.960 2.213 0.668 0.578 0.928 0.638 CB 1.565 70 residues pruned to eliminate duplicates Z: 43 40.024 2.266 0.626 0.638 0.905 0.690 CB 1.628 43 residues pruned to eliminate duplicates Z: 80 56.345 2.239 0.804 0.591 0.949 0.671 CB 1.516 80 residues pruned to eliminate duplicates Z: 59 39.063 2.158 0.703 0.531 0.931 0.586 CB 1.454 59 residues pruned to eliminate duplicates Z: 37 31.463 2.107 0.646 0.645 0.917 0.611 CB 1.441 37 residues pruned to eliminate duplicates Z: 88 57.127 2.233 0.826 0.579 0.931 0.690 CB 1.495 88 residues pruned to eliminate duplicates Z: 101 58.523 2.217 0.762 0.563 0.910 0.690 CB 1.548 101 residues pruned to eliminate duplicates Z: 125 64.061 2.232 0.656 0.554 0.944 0.629 CB 1.565 125 residues pruned to eliminate duplicates Z: 48 40.177 2.272 0.661 0.615 0.915 0.681 CB 1.522 48 residues pruned to eliminate duplicates Z: 54 36.898 2.120 0.552 0.622 0.925 0.453 CB 1.485 54 residues pruned to eliminate duplicates Z: 54 44.575 2.251 0.723 0.621 0.925 0.642 CB 1.523 54 residues pruned to eliminate duplicates Z: 134 78.164 2.275 0.821 0.578 0.925 0.669 CB 1.640 134 residues pruned to eliminate duplicates Z: 130 78.820 2.297 0.872 0.578 0.946 0.667 CB 1.582 130 residues pruned to eliminate duplicates Z: 55 41.392 2.211 0.635 0.605 0.944 0.593 CB 1.493 55 residues pruned to eliminate duplicates Z: 125 56.568 2.202 0.650 0.528 0.911 0.613 CB 1.492 125 residues pruned to eliminate duplicates Z: 46 41.756 2.246 0.678 0.619 0.956 0.622 CB 1.546 46 residues pruned to eliminate duplicates Z: 58 37.736 2.182 0.605 0.588 0.895 0.596 CB 1.466 58 residues pruned to eliminate duplicates Z: 49 31.550 2.065 0.534 0.579 0.896 0.583 CB 1.488 49 residues pruned to eliminate duplicates Z: 127 83.713 2.316 0.899 0.586 0.952 0.659 CB 1.640 127 residues pruned to eliminate duplicates Z: 45 37.460 2.251 0.677 0.632 0.886 0.636 CB 1.491 45 residues pruned to eliminate duplicates Z: 104 57.915 2.205 0.747 0.568 0.903 0.670 CB 1.537 104 residues pruned to eliminate duplicates Z: 14 3.113 1.427 0.364 0.241 0.615 0.231 CB 0.973 14 residues pruned to eliminate duplicates Z: 51 43.096 2.270 0.700 0.622 0.940 0.580 CB 1.497 51 residues pruned to eliminate duplicates Z: 41 28.980 2.150 0.582 0.499 0.925 0.525 CB 1.458 42 residues pruned to eliminate duplicates Z: 9 5.133 1.482 0.236 0.490 1.000 0.625 CA 1.000 9 residues pruned to eliminate duplicates Z: 39 26.206 2.193 0.453 0.448 0.921 0.632 CB 1.527 39 residues pruned to eliminate duplicates Z: 34 21.810 2.073 0.490 0.491 0.879 0.576 CB 1.411 34 residues pruned to eliminate duplicates Z: 16 9.197 1.774 0.319 0.480 0.867 0.533 CB 1.195 16 residues pruned to eliminate duplicates Z: 10 4.394 1.671 0.123 0.364 0.889 0.778 CB 1.016 10 residues pruned to eliminate duplicates Z: 40 27.253 2.121 0.540 0.478 0.923 0.487 CB 1.481 40 residues pruned to eliminate duplicates Z: 40 28.464 2.146 0.517 0.490 0.974 0.667 CB 1.453 39 residues pruned to eliminate duplicates Z: 7 9.139 1.948 0.582 0.478 1.000 0.500 CA 1.238 7 residues pruned to eliminate duplicates Z: 40 28.362 2.135 0.501 0.506 0.974 0.590 CB 1.446 40 residues pruned to eliminate duplicates Z: 36 20.936 2.047 0.483 0.474 0.914 0.600 CB 1.310 36 residues pruned to eliminate duplicates Z: 39 30.378 2.184 0.532 0.498 0.974 0.658 CB 1.515 39 residues pruned to eliminate duplicates Z: 6 4.605 2.031 0.104 0.420 1.000 0.600 CB 0.999 6 residues pruned to eliminate duplicates Z: 28 21.696 2.162 0.475 0.528 1.000 0.481 CB 1.273 28 residues pruned to eliminate duplicates Z: 40 26.524 2.139 0.455 0.454 0.974 0.590 CB 1.468 40 residues pruned to eliminate duplicates Z: 36 27.750 2.224 0.578 0.475 0.943 0.486 CB 1.453 36 residues pruned to eliminate duplicates Z: 40 27.408 2.155 0.444 0.491 0.974 0.641 CB 1.460 40 residues pruned to eliminate duplicates Z: 40 29.192 2.135 0.638 0.487 0.923 0.538 CB 1.468 40 residues pruned to eliminate duplicates Z: 32 24.302 2.250 0.494 0.427 0.935 0.452 CB 1.498 32 residues pruned to eliminate duplicates Z: 25 27.920 2.306 0.594 0.489 0.958 0.583 CB 1.636 25 residues pruned to eliminate duplicates Z: 43 28.900 2.122 0.659 0.471 0.905 0.524 CB 1.443 43 residues pruned to eliminate duplicates Z: 18 27.075 2.325 0.723 0.463 1.000 0.647 CB 1.701 19 residues pruned to eliminate duplicates Z: 7 12.934 1.814 1.177 0.489 0.833 0.667 C 1.623 7 residues pruned to eliminate duplicates Z: 14 20.322 2.186 1.123 0.403 0.769 0.538 CB 1.748 14 residues pruned to eliminate duplicates Z: 36 34.839 2.248 0.797 0.559 0.943 0.657 CB 1.459 36 residues pruned to eliminate duplicates Z: 17 32.347 2.327 0.940 0.568 1.000 0.750 CB 1.677 17 residues pruned to eliminate duplicates 343 residues left after pruning, divided into chains as follows: A: 6 B: 23 C: 9 D: 71 E: 64 F: 170 CC for partial structure against native data = 38.70 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.464, Connect. = 0.683 for dens.mod. cycle 1 = 0.317, Contrast = 0.543, Connect. = 0.720 for dens.mod. cycle 2 = 0.318, Contrast = 0.676, Connect. = 0.771 for dens.mod. cycle 3 = 0.318, Contrast = 0.682, Connect. = 0.774 for dens.mod. cycle 4 = 0.318, Contrast = 0.699, Connect. = 0.778 for dens.mod. cycle 5 = 0.318, Contrast = 0.701, Connect. = 0.779 for dens.mod. cycle 6 = 0.318, Contrast = 0.708, Connect. = 0.781 for dens.mod. cycle 7 = 0.318, Contrast = 0.709, Connect. = 0.782 for dens.mod. cycle 8 = 0.318, Contrast = 0.712, Connect. = 0.783 for dens.mod. cycle 9 = 0.318, Contrast = 0.713, Connect. = 0.784 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.65 - 2.89 - 2.53 - 2.30 - 2.14 - 2.02 - 1.92 - 1.83 - 1.76 - 1.70 0.786 0.769 0.771 0.776 0.799 0.785 0.765 0.739 0.719 0.688 0.941 0.930 0.930 0.930 0.947 0.931 0.914 0.894 0.868 0.840 N 4960 5050 4958 5017 4899 4802 4992 5503 5101 4182 Estimated mean FOM = 0.760 Pseudo-free CC = 74.44 % Best trace (cycle 1 with CC 42.04%) was saved as ./2i51-1.7-parrot-noncs/2i51-1.7-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.4 - Setup, data input and phasing 6.3 - FFTs and peak-searches 13.4 - Sphere of influence 0.6 - Rest of density modification 0.0 - Alpha-helix search 1691.9 - Tripeptide search 14610.6 - Chain tracing 0.0 - NCS analysis 31.3 - B-value refinement for trace 0.1 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 04:42:52 Total time: 16354.68 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 273.82 Used memory is bytes: 16466120