null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 22:19:23 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2p8j-2.0-parrot-noncs/2p8j-2.0-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2p8j-2.0-parrot-noncs/2p8j-2.0-parrot-noncs.ins Phases from ./2p8j-2.0-parrot-noncs/2p8j-2.0-parrot-noncs.phi Native data from ./2p8j-2.0-parrot-noncs/2p8j-2.0-parrot-noncs.hkl Listing output to ./2p8j-2.0-parrot-noncs/2p8j-2.0-parrot-noncs.lst Phases output to ./2p8j-2.0-parrot-noncs/2p8j-2.0-parrot-noncs.phs Poly-Ala trace output to ./2p8j-2.0-parrot-noncs/2p8j-2.0-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 31 2 1 Allowed origin shift code: 10 44383 Reflections read from file ./2p8j-2.0-parrot-noncs/2p8j-2.0-parrot-noncs.phi 44383 Reflections read from file ./2p8j-2.0-parrot-noncs/2p8j-2.0-parrot-noncs.hkl 44383 Unique data, highest resolution = 2.001 Angstroms Anisotropic scaling: intensities multiplied by -0.000079h^2 -0.000079k^2 +0.000043l^2 +0.000000kl +0.000000hl -0.000079hk 117 Reflections with d > 2.201 and 0 in range 2.201 > d > 2.001 added Density sharpening factor set to 0.75 Fourier grid = 128 x 128 x 41 0.000 <= z <= 0.167 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.729 = 0.293, Contrast = 0.226, Connect. = 0.559 for dens.mod. cycle 1 = 0.300, Contrast = 0.524, Connect. = 0.658 for dens.mod. cycle 2 = 0.300, Contrast = 0.794, Connect. = 0.743 for dens.mod. cycle 3 = 0.300, Contrast = 0.886, Connect. = 0.763 for dens.mod. cycle 4 = 0.300, Contrast = 0.923, Connect. = 0.772 for dens.mod. cycle 5 = 0.300, Contrast = 0.942, Connect. = 0.778 for dens.mod. cycle 6 = 0.300, Contrast = 0.952, Connect. = 0.782 for dens.mod. cycle 7 = 0.300, Contrast = 0.956, Connect. = 0.784 for dens.mod. cycle 8 = 0.300, Contrast = 0.958, Connect. = 0.786 for dens.mod. cycle 9 = 0.300, Contrast = 0.958, Connect. = 0.787 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1889 peaks > 0.5 sigma used to seed fragment search Space for about 710 unique residues taking solvent into account 452 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 38.674 2.503 0.731 0.939 1.000 0.769 CB 1.720 B: 15 37.753 2.355 1.000 0.879 1.000 0.571 CB 1.553 14 residues pruned to eliminate duplicates C: 19 30.380 2.028 1.213 0.644 0.944 0.611 CB 1.476 D: 17 28.165 2.119 1.070 0.790 0.938 0.688 CB 1.327 17 residues pruned to eliminate duplicates E: 32 49.607 2.267 1.267 0.601 0.968 0.419 CB 1.627 15 residues pruned to eliminate duplicates F: 90 64.966 2.329 0.979 0.525 0.921 0.629 CB 1.583 5 residues pruned to eliminate duplicates G: 15 48.622 2.394 1.273 0.892 1.000 0.643 CB 1.716 21 residues pruned to eliminate duplicates H: 20 43.745 2.144 1.224 0.768 1.000 0.842 CA 1.660 20 residues pruned to eliminate duplicates I: 16 30.667 2.395 1.053 0.604 0.867 0.533 CB 1.682 16 residues pruned to eliminate duplicates J: 9 28.868 2.367 1.043 0.780 0.875 0.750 CA 1.884 K: 16 34.850 2.333 0.792 0.928 0.933 0.733 CA 1.615 16 residues pruned to eliminate duplicates L: 14 27.083 2.054 1.248 0.651 0.846 0.769 CB 1.671 14 residues pruned to eliminate duplicates M: 83 63.911 2.346 0.984 0.525 0.915 0.622 CB 1.618 83 residues pruned to eliminate duplicates N: 10 22.044 2.195 1.173 0.749 0.667 0.333 CA 1.851 10 residues pruned to eliminate duplicates O: 17 32.419 2.243 0.860 0.908 0.938 0.875 CB 1.472 17 residues pruned to eliminate duplicates P: 11 31.596 2.518 0.579 0.929 1.000 0.900 CB 1.759 11 residues pruned to eliminate duplicates Q: 31 45.689 2.268 1.110 0.558 1.000 0.633 CB 1.648 31 residues pruned to eliminate duplicates R: 31 55.504 2.315 1.320 0.586 0.967 0.733 CB 1.798 31 residues pruned to eliminate duplicates S: 11 16.837 2.316 0.941 0.313 0.900 0.600 CB 1.618 T: 10 17.097 1.900 0.574 0.800 0.889 0.444 CA 1.649 U: 43 47.264 2.242 1.149 0.560 0.905 0.619 CB 1.579 23 residues pruned to eliminate duplicates V: 13 43.027 2.586 1.020 0.931 0.917 0.750 CB 1.812 13 residues pruned to eliminate duplicates W: 57 39.392 2.205 1.046 0.363 0.875 0.482 CB 1.545 57 residues pruned to eliminate duplicates X: 10 22.169 2.255 0.639 0.843 0.889 0.667 CA 1.675 9 residues pruned to eliminate duplicates Y: 13 30.927 2.476 1.042 0.657 0.917 0.667 CA 1.665 13 residues pruned to eliminate duplicates Z: 48 47.111 2.236 0.964 0.512 0.957 0.681 CB 1.615 48 residues pruned to eliminate duplicates Z: 14 21.608 2.041 0.462 0.808 1.000 0.692 CB 1.536 14 residues pruned to eliminate duplicates Z: 12 31.930 2.493 0.601 0.920 1.000 0.818 CA 1.699 12 residues pruned to eliminate duplicates Z: 15 45.370 2.424 1.237 0.876 0.929 0.429 CA 1.751 15 residues pruned to eliminate duplicates Z: 17 36.686 2.306 1.177 0.919 0.938 0.750 CB 1.373 17 residues pruned to eliminate duplicates Z: 12 17.293 1.760 0.987 0.543 1.000 0.727 CA 1.429 12 residues pruned to eliminate duplicates Z: 15 43.277 2.437 1.008 0.927 1.000 0.786 CA 1.656 15 residues pruned to eliminate duplicates Z: 22 28.002 1.918 0.765 0.869 0.905 0.571 CB 1.458 22 residues pruned to eliminate duplicates Z: 29 31.000 2.099 0.862 0.577 0.964 0.643 CB 1.443 Z: 18 25.378 2.233 0.520 0.921 0.882 0.824 CB 1.447 18 residues pruned to eliminate duplicates Z: 88 64.657 2.324 1.038 0.518 0.920 0.494 CB 1.563 88 residues pruned to eliminate duplicates Z: 17 38.662 2.301 1.270 0.917 0.938 0.500 CB 1.392 17 residues pruned to eliminate duplicates Z: 14 32.855 2.200 0.834 0.951 1.000 0.923 CB 1.556 14 residues pruned to eliminate duplicates Z: 10 26.775 2.209 1.198 0.662 1.000 0.778 CB 1.582 Z: 14 21.246 1.986 1.077 0.701 0.846 0.538 CA 1.405 14 residues pruned to eliminate duplicates Z: 11 19.301 1.918 0.689 0.875 0.900 0.700 CA 1.523 11 residues pruned to eliminate duplicates Z: 34 30.439 2.070 0.825 0.523 0.909 0.727 CB 1.508 Z: 14 34.620 2.432 0.945 0.851 0.923 0.769 CA 1.628 14 residues pruned to eliminate duplicates Z: 14 27.390 2.126 0.784 0.919 1.000 0.923 CA 1.412 14 residues pruned to eliminate duplicates Z: 28 42.998 2.133 1.038 0.636 1.000 0.704 CB 1.676 29 residues pruned to eliminate duplicates Z: 32 28.012 2.250 1.248 0.365 0.871 0.581 CB 1.321 32 residues pruned to eliminate duplicates Z: 16 18.138 1.841 0.340 0.931 1.000 0.867 CA 1.326 Z: 12 17.031 1.946 0.695 0.743 0.818 0.727 CB 1.530 12 residues pruned to eliminate duplicates Z: 40 40.039 2.217 0.953 0.517 0.897 0.564 CB 1.622 40 residues pruned to eliminate duplicates Z: 16 34.505 2.046 0.897 0.931 1.000 0.867 CB 1.604 16 residues pruned to eliminate duplicates Z: 41 29.826 1.903 0.899 0.491 0.950 0.525 CB 1.386 41 residues pruned to eliminate duplicates Z: 14 22.629 2.128 0.637 0.803 0.923 0.769 CA 1.498 14 residues pruned to eliminate duplicates Z: 87 71.233 2.337 1.049 0.570 0.919 0.640 CB 1.631 87 residues pruned to eliminate duplicates Z: 15 24.502 2.029 0.634 0.925 1.000 0.786 CA 1.386 15 residues pruned to eliminate duplicates Z: 29 32.837 2.060 0.944 0.575 0.964 0.571 CB 1.495 29 residues pruned to eliminate duplicates Z: 17 25.114 1.859 0.785 0.906 1.000 0.812 CA 1.346 16 residues pruned to eliminate duplicates Z: 17 20.140 1.830 0.503 0.913 1.000 0.938 CA 1.296 17 residues pruned to eliminate duplicates Z: 9 18.426 2.308 0.474 0.795 0.875 0.750 CA 1.691 9 residues pruned to eliminate duplicates Z: 63 37.874 2.056 1.105 0.419 0.871 0.532 CB 1.388 60 residues pruned to eliminate duplicates Z: 82 52.369 2.270 0.972 0.438 0.926 0.642 CB 1.496 82 residues pruned to eliminate duplicates Z: 18 35.051 2.220 0.768 0.894 1.000 0.941 CA 1.554 18 residues pruned to eliminate duplicates Z: 10 21.095 2.158 0.794 0.794 0.889 0.444 CA 1.579 10 residues pruned to eliminate duplicates Z: 22 22.805 2.105 0.995 0.587 0.810 0.762 CB 1.347 22 residues pruned to eliminate duplicates Z: 12 22.367 2.039 0.838 0.768 1.000 0.727 CB 1.419 12 residues pruned to eliminate duplicates Z: 11 22.351 2.296 0.632 0.802 0.900 0.900 CA 1.611 11 residues pruned to eliminate duplicates Z: 9 17.826 2.078 0.855 0.824 0.750 0.500 CA 1.647 9 residues pruned to eliminate duplicates Z: 56 48.092 2.345 1.054 0.520 0.909 0.582 CB 1.453 56 residues pruned to eliminate duplicates Z: 11 23.983 2.106 1.153 0.689 0.900 0.800 CA 1.563 11 residues pruned to eliminate duplicates Z: 22 36.369 2.221 1.016 0.634 0.952 0.762 CB 1.640 22 residues pruned to eliminate duplicates Z: 19 38.176 2.141 1.158 0.722 1.000 0.889 CB 1.594 10 residues pruned to eliminate duplicates Z: 10 19.584 2.149 0.656 0.782 0.889 0.556 CA 1.609 10 residues pruned to eliminate duplicates Z: 19 28.166 2.144 0.828 0.882 0.889 0.444 CB 1.380 19 residues pruned to eliminate duplicates Z: 60 50.727 2.335 0.997 0.517 0.881 0.627 CB 1.581 60 residues pruned to eliminate duplicates Z: 29 39.477 2.370 1.230 0.564 0.821 0.536 CB 1.615 29 residues pruned to eliminate duplicates Z: 37 40.443 2.256 0.857 0.530 0.944 0.556 CB 1.654 37 residues pruned to eliminate duplicates Z: 86 75.473 2.346 1.116 0.574 0.965 0.612 CB 1.591 86 residues pruned to eliminate duplicates Z: 14 11.598 1.838 0.618 0.562 0.769 0.692 CA 1.325 14 residues pruned to eliminate duplicates Z: 9 23.896 2.205 1.066 0.838 1.000 1.000 CA 1.386 9 residues pruned to eliminate duplicates Z: 23 26.007 2.071 0.899 0.612 0.909 0.727 CB 1.394 23 residues pruned to eliminate duplicates Z: 13 23.604 2.184 0.699 0.804 0.917 0.917 CA 1.537 13 residues pruned to eliminate duplicates Z: 18 22.970 2.200 0.205 0.884 1.000 0.824 CB 1.518 18 residues pruned to eliminate duplicates Z: 13 23.523 1.985 0.981 0.813 1.000 0.750 CB 1.315 13 residues pruned to eliminate duplicates Z: 68 51.119 2.301 0.992 0.467 0.866 0.642 CB 1.628 68 residues pruned to eliminate duplicates Z: 18 30.661 2.241 0.514 0.907 1.000 0.882 CB 1.558 18 residues pruned to eliminate duplicates Z: 11 20.653 1.982 0.756 0.794 1.000 0.600 CA 1.450 11 residues pruned to eliminate duplicates Z: 25 26.940 2.044 0.805 0.580 0.917 0.667 CB 1.506 25 residues pruned to eliminate duplicates Z: 47 17.706 1.834 0.739 0.311 0.935 0.565 CB 1.080 47 residues pruned to eliminate duplicates Z: 13 32.093 2.246 0.828 0.936 1.000 0.833 CB 1.571 13 residues pruned to eliminate duplicates Z: 14 34.510 2.172 1.007 0.915 1.000 0.538 CB 1.552 14 residues pruned to eliminate duplicates Z: 11 8.920 1.749 0.659 0.450 0.900 0.500 CB 1.137 Z: 9 25.878 2.326 0.810 0.892 0.875 0.875 CA 1.785 9 residues pruned to eliminate duplicates Z: 12 17.482 2.003 0.585 0.795 1.000 0.818 CB 1.282 12 residues pruned to eliminate duplicates Z: 14 25.987 2.156 0.815 0.740 0.923 0.692 CA 1.610 14 residues pruned to eliminate duplicates Z: 16 30.992 1.949 1.000 0.894 1.000 0.733 CB 1.473 16 residues pruned to eliminate duplicates Z: 10 5.649 1.888 0.326 0.279 0.778 0.444 CB 1.242 Z: 12 16.293 1.990 0.919 0.702 0.818 0.455 CB 1.308 12 residues pruned to eliminate duplicates Z: 32 32.675 2.007 0.908 0.567 0.968 0.613 CB 1.484 32 residues pruned to eliminate duplicates Z: 22 47.024 2.398 1.405 0.645 1.000 0.667 CB 1.553 22 residues pruned to eliminate duplicates Z: 33 49.527 2.268 1.224 0.582 0.969 0.656 CB 1.657 33 residues pruned to eliminate duplicates Z: 17 29.326 2.283 0.749 0.889 0.938 0.812 CB 1.410 17 residues pruned to eliminate duplicates Z: 28 41.047 2.268 0.980 0.527 0.963 0.556 CB 1.779 28 residues pruned to eliminate duplicates Z: 17 19.519 2.129 0.681 0.523 0.938 0.500 CB 1.422 Z: 19 16.848 1.998 0.616 0.469 0.944 0.556 CB 1.345 19 residues pruned to eliminate duplicates Z: 6 10.039 1.839 1.189 0.720 0.800 0.400 CA 1.143 6 residues pruned to eliminate duplicates Z: 17 26.509 1.942 1.030 0.888 1.000 0.688 CB 1.211 Z: 55 47.610 2.369 0.924 0.538 0.907 0.630 CB 1.508 55 residues pruned to eliminate duplicates Z: 12 21.617 2.040 0.723 0.802 1.000 0.909 CB 1.425 12 residues pruned to eliminate duplicates Z: 32 45.238 2.211 1.067 0.574 0.935 0.645 CA 1.770 32 residues pruned to eliminate duplicates Z: 6 4.035 1.438 1.224 0.675 0.600 0.600 CA 0.800 6 residues pruned to eliminate duplicates Z: 13 22.755 2.132 0.586 0.823 1.000 0.750 CA 1.468 13 residues pruned to eliminate duplicates Z: 63 45.660 2.133 1.012 0.465 0.935 0.645 CB 1.497 62 residues pruned to eliminate duplicates Z: 6 8.629 1.659 0.986 0.609 1.000 0.800 CB 1.056 4 residues pruned to eliminate duplicates Z: 27 30.113 2.060 0.890 0.613 0.885 0.654 CB 1.541 38 residues pruned to eliminate duplicates Z: 20 47.104 2.358 1.320 0.684 1.000 0.632 CB 1.669 20 residues pruned to eliminate duplicates Z: 18 20.630 2.112 0.765 0.514 0.882 0.471 CB 1.499 17 residues pruned to eliminate duplicates Z: 16 24.614 2.324 0.403 0.915 0.867 0.800 CA 1.589 16 residues pruned to eliminate duplicates Z: 7 10.916 1.808 0.988 0.801 1.000 0.667 CB 0.953 7 residues pruned to eliminate duplicates Z: 17 18.599 1.878 0.369 0.909 1.000 1.000 CA 1.283 17 residues pruned to eliminate duplicates Z: 7 3.509 1.518 0.580 0.382 0.833 0.333 CB 0.812 Z: 27 36.263 2.102 0.984 0.611 0.962 0.769 CB 1.596 27 residues pruned to eliminate duplicates Z: 17 27.018 1.892 0.767 0.902 1.000 0.875 CA 1.440 17 residues pruned to eliminate duplicates Z: 28 21.577 2.076 1.021 0.299 0.889 0.593 CB 1.393 28 residues pruned to eliminate duplicates Z: 15 24.095 1.995 0.948 0.924 0.929 0.571 CB 1.253 15 residues pruned to eliminate duplicates Z: 20 34.827 2.050 1.096 0.715 1.000 0.947 CB 1.530 19 residues pruned to eliminate duplicates Z: 45 33.544 2.006 0.918 0.572 0.909 0.523 CB 1.348 35 residues pruned to eliminate duplicates Z: 16 44.444 2.274 1.447 0.915 1.000 0.400 CB 1.458 16 residues pruned to eliminate duplicates Z: 13 21.384 2.055 0.553 0.814 1.000 0.583 CA 1.473 13 residues pruned to eliminate duplicates Z: 12 6.154 1.937 -0.345 0.630 1.000 0.636 CB 1.295 Z: 14 18.875 2.239 0.913 0.526 0.769 0.462 CB 1.549 14 residues pruned to eliminate duplicates Z: 12 22.837 2.067 0.864 0.764 1.000 0.818 CB 1.413 12 residues pruned to eliminate duplicates Z: 37 20.155 2.133 0.818 0.449 0.722 0.472 CB 1.264 37 residues pruned to eliminate duplicates Z: 6 10.332 1.502 1.135 0.791 1.000 0.400 CB 1.116 7 residues pruned to eliminate duplicates Z: 8 5.000 1.755 -0.282 0.641 1.000 0.857 CB 1.315 6 residues pruned to eliminate duplicates Z: 16 16.591 2.031 0.757 0.618 0.867 0.733 CB 1.239 16 residues pruned to eliminate duplicates Z: 11 15.103 1.790 0.876 0.768 0.800 0.500 CA 1.403 11 residues pruned to eliminate duplicates Z: 32 26.843 1.964 0.992 0.555 0.903 0.581 CB 1.294 32 residues pruned to eliminate duplicates Z: 12 21.429 2.048 0.787 0.769 1.000 0.636 CB 1.391 12 residues pruned to eliminate duplicates Z: 10 32.468 2.068 1.136 0.846 1.000 0.556 CA 1.821 12 residues pruned to eliminate duplicates Z: 14 27.938 2.043 1.014 0.755 0.923 0.692 CB 1.625 18 residues pruned to eliminate duplicates Z: 17 23.721 1.956 0.828 0.900 0.938 0.688 CB 1.264 17 residues pruned to eliminate duplicates Z: 18 22.374 2.035 0.816 0.539 0.941 0.706 CB 1.500 17 residues pruned to eliminate duplicates Z: 32 42.186 2.251 1.053 0.540 0.935 0.613 CB 1.685 32 residues pruned to eliminate duplicates Z: 15 24.969 1.994 0.821 0.920 1.000 0.857 CB 1.294 15 residues pruned to eliminate duplicates Z: 10 22.339 1.947 0.878 0.827 1.000 0.556 CA 1.535 10 residues pruned to eliminate duplicates Z: 12 21.910 2.012 0.980 0.712 0.909 0.818 CA 1.505 14 residues pruned to eliminate duplicates Z: 30 16.434 1.863 0.744 0.378 0.862 0.586 CB 1.240 18 residues pruned to eliminate duplicates Z: 31 27.007 2.042 0.723 0.598 0.933 0.700 CB 1.368 31 residues pruned to eliminate duplicates Z: 17 16.261 2.149 0.692 0.308 0.938 0.562 CB 1.475 17 residues pruned to eliminate duplicates Z: 38 47.830 2.362 1.076 0.653 0.946 0.595 CB 1.470 38 residues pruned to eliminate duplicates Z: 16 33.346 1.968 1.026 0.908 1.000 0.867 CB 1.534 16 residues pruned to eliminate duplicates Z: 11 16.706 1.753 0.811 0.858 0.900 0.600 CA 1.361 11 residues pruned to eliminate duplicates Z: 9 33.598 2.387 0.888 0.905 1.000 0.875 CA 1.875 9 residues pruned to eliminate duplicates Z: 22 30.496 2.040 0.941 0.597 1.000 0.762 CB 1.531 22 residues pruned to eliminate duplicates Z: 28 25.126 2.015 0.777 0.653 0.926 0.519 CB 1.264 28 residues pruned to eliminate duplicates Z: 6 3.821 1.873 -0.323 0.472 1.000 0.800 CB 1.385 Z: 7 21.000 1.792 1.531 0.725 1.000 0.833 C 1.544 7 residues pruned to eliminate duplicates Z: 18 21.115 1.970 0.804 0.599 0.941 0.765 CB 1.393 18 residues pruned to eliminate duplicates Z: 35 28.544 2.001 0.844 0.577 0.941 0.735 CB 1.308 35 residues pruned to eliminate duplicates Z: 17 18.364 1.886 0.365 0.904 1.000 0.875 CB 1.270 17 residues pruned to eliminate duplicates Z: 67 40.325 2.120 0.778 0.459 0.924 0.652 CB 1.487 67 residues pruned to eliminate duplicates Z: 31 34.964 2.045 1.047 0.573 0.900 0.600 CB 1.579 31 residues pruned to eliminate duplicates Z: 19 19.058 1.985 0.735 0.420 0.944 0.611 CB 1.502 19 residues pruned to eliminate duplicates Z: 15 28.785 2.012 0.891 0.931 1.000 0.929 CB 1.413 15 residues pruned to eliminate duplicates Z: 10 6.784 1.744 0.246 0.410 0.889 0.444 CB 1.287 Z: 14 20.596 1.853 0.684 0.912 1.000 0.769 CB 1.296 Z: 12 21.501 2.018 0.783 0.779 1.000 0.727 CB 1.409 12 residues pruned to eliminate duplicates Z: 6 7.678 1.414 0.533 0.820 1.000 0.800 O 1.200 6 residues pruned to eliminate duplicates Z: 13 19.924 1.853 0.944 0.912 0.917 0.667 CB 1.234 13 residues pruned to eliminate duplicates Z: 6 5.164 1.742 0.192 0.491 1.000 0.400 CA 1.122 Z: 23 17.255 2.013 0.668 0.560 0.909 0.636 CB 1.137 23 residues pruned to eliminate duplicates Z: 32 32.387 2.026 0.948 0.501 0.968 0.516 CB 1.521 32 residues pruned to eliminate duplicates Z: 8 7.666 1.896 0.922 0.304 1.000 0.429 CA 0.988 Z: 30 24.540 2.080 0.709 0.523 0.862 0.655 CB 1.453 30 residues pruned to eliminate duplicates Z: 52 36.604 2.106 0.914 0.456 0.922 0.647 CB 1.443 60 residues pruned to eliminate duplicates Z: 17 17.035 1.896 0.270 0.864 1.000 0.875 CB 1.297 17 residues pruned to eliminate duplicates Z: 17 16.145 1.868 0.192 0.912 1.000 0.938 CA 1.284 17 residues pruned to eliminate duplicates Z: 12 20.297 1.962 0.746 0.764 1.000 0.636 CA 1.414 12 residues pruned to eliminate duplicates Z: 25 28.532 2.155 0.797 0.515 1.000 0.708 CB 1.482 25 residues pruned to eliminate duplicates Z: 32 43.556 2.255 1.001 0.620 0.903 0.613 CB 1.714 32 residues pruned to eliminate duplicates Z: 30 27.217 2.088 0.709 0.599 0.931 0.793 CB 1.384 30 residues pruned to eliminate duplicates Z: 84 62.278 2.343 0.909 0.542 0.916 0.614 CB 1.602 84 residues pruned to eliminate duplicates Z: 7 10.983 1.795 0.532 0.791 0.833 0.667 CA 1.516 7 residues pruned to eliminate duplicates Z: 13 20.894 1.857 0.897 0.901 1.000 0.833 CB 1.223 13 residues pruned to eliminate duplicates Z: 46 24.590 1.889 0.726 0.438 0.844 0.556 CB 1.420 46 residues pruned to eliminate duplicates Z: 9 11.811 1.783 0.658 0.826 0.875 0.750 CA 1.217 9 residues pruned to eliminate duplicates Z: 12 18.739 2.000 1.175 0.674 1.000 0.455 CB 1.107 12 residues pruned to eliminate duplicates Z: 84 60.091 2.293 0.916 0.507 0.928 0.627 CB 1.607 84 residues pruned to eliminate duplicates Z: 16 37.431 2.372 1.377 0.842 0.800 0.533 CA 1.596 16 residues pruned to eliminate duplicates Z: 7 5.110 1.751 0.377 0.347 0.833 0.333 CA 1.226 Z: 14 18.587 1.865 0.561 0.905 0.923 0.846 CB 1.365 13 residues pruned to eliminate duplicates Z: 31 28.883 2.095 0.856 0.563 0.933 0.800 CB 1.367 31 residues pruned to eliminate duplicates Z: 13 13.095 2.088 0.949 0.392 0.667 0.583 CA 1.563 13 residues pruned to eliminate duplicates Z: 53 28.391 1.926 0.845 0.434 0.885 0.519 CB 1.341 51 residues pruned to eliminate duplicates Z: 16 38.067 2.354 0.923 0.936 0.933 0.867 CB 1.619 16 residues pruned to eliminate duplicates Z: 15 15.418 1.947 0.572 0.670 0.786 0.571 CB 1.465 15 residues pruned to eliminate duplicates Z: 18 23.378 1.830 0.846 0.893 1.000 0.765 CB 1.205 18 residues pruned to eliminate duplicates Z: 15 26.322 1.968 0.945 0.951 1.000 0.857 CB 1.267 15 residues pruned to eliminate duplicates Z: 12 15.566 1.830 0.786 0.873 0.818 0.455 CB 1.279 12 residues pruned to eliminate duplicates Z: 7 2.721 1.570 0.531 0.516 0.500 0.500 CB 0.909 7 residues pruned to eliminate duplicates Z: 8 19.833 2.146 0.636 0.880 1.000 0.571 CB 1.547 8 residues pruned to eliminate duplicates Z: 12 28.658 2.151 1.209 0.607 0.909 0.818 CA 1.807 12 residues pruned to eliminate duplicates Z: 10 27.673 2.255 0.696 0.849 1.000 0.556 CA 1.788 10 residues pruned to eliminate duplicates Z: 13 13.964 1.935 0.741 0.653 0.917 0.833 CB 1.133 13 residues pruned to eliminate duplicates Z: 10 10.096 1.898 0.745 0.427 0.778 0.444 CA 1.409 10 residues pruned to eliminate duplicates Z: 51 23.305 1.838 0.793 0.441 0.880 0.420 CB 1.208 22 residues pruned to eliminate duplicates Z: 7 8.124 1.804 1.115 0.595 0.667 0.667 CB 1.190 Z: 11 12.200 1.906 0.558 0.619 1.000 0.800 CB 1.161 Z: 11 8.738 1.769 0.938 0.494 0.800 0.600 CB 1.013 11 residues pruned to eliminate duplicates Z: 9 11.466 1.983 0.763 0.413 0.875 0.625 CB 1.452 Z: 6 3.119 1.647 -0.121 0.646 0.800 0.800 CB 1.051 Z: 85 72.468 2.374 1.037 0.550 0.952 0.607 CB 1.635 85 residues pruned to eliminate duplicates Z: 15 23.694 1.977 0.692 0.925 1.000 0.857 CB 1.328 15 residues pruned to eliminate duplicates Z: 6 5.497 1.841 0.554 0.509 0.600 0.200 CB 1.419 6 residues pruned to eliminate duplicates Z: 26 22.513 2.279 0.833 0.242 0.920 0.560 CB 1.579 26 residues pruned to eliminate duplicates Z: 45 27.087 1.986 1.037 0.365 0.909 0.500 CB 1.284 45 residues pruned to eliminate duplicates Z: 6 3.016 1.947 -0.172 0.411 0.800 0.400 CB 1.148 Z: 16 22.478 1.944 0.711 0.900 1.000 0.600 CB 1.246 16 residues pruned to eliminate duplicates Z: 18 7.630 1.574 0.680 0.291 0.824 0.529 CB 1.075 18 residues pruned to eliminate duplicates Z: 16 30.163 1.831 1.103 0.893 1.000 0.800 CA 1.452 16 residues pruned to eliminate duplicates Z: 18 19.046 2.145 0.978 0.467 0.824 0.353 CB 1.367 18 residues pruned to eliminate duplicates Z: 29 24.718 1.855 0.819 0.591 0.929 0.679 CB 1.365 29 residues pruned to eliminate duplicates Z: 55 50.572 2.214 0.925 0.589 0.981 0.630 CB 1.510 168 residues pruned to eliminate duplicates Z: 16 25.920 1.926 0.812 0.895 1.000 0.800 CA 1.375 Z: 24 19.461 1.786 0.594 0.658 0.957 0.739 CB 1.287 19 residues pruned to eliminate duplicates Z: 13 27.815 2.403 0.728 0.909 0.917 0.917 CA 1.498 13 residues pruned to eliminate duplicates Z: 15 18.232 1.943 0.593 0.822 0.857 0.786 CB 1.389 15 residues pruned to eliminate duplicates 6 1.472 1.899 -0.406 0.435 0.800 0.600 CB 0.780 ? Z: 8 6.429 1.673 0.737 0.424 0.857 0.571 CB 1.056 Z: 14 27.968 1.981 1.034 0.921 0.923 0.462 CB 1.467 20 residues pruned to eliminate duplicates Z: 15 20.129 1.829 0.763 0.907 0.929 0.714 CB 1.277 15 residues pruned to eliminate duplicates Z: 16 26.452 1.925 0.795 0.900 0.933 0.533 CA 1.513 16 residues pruned to eliminate duplicates Z: 17 18.238 1.703 0.463 0.886 1.000 0.812 CB 1.320 17 residues pruned to eliminate duplicates Z: 23 12.109 1.746 0.657 0.317 1.000 0.591 CB 1.092 23 residues pruned to eliminate duplicates Z: 106 61.650 2.254 1.035 0.477 0.914 0.552 CB 1.469 15 residues pruned to eliminate duplicates Z: 68 33.460 1.889 0.642 0.529 0.970 0.687 CB 1.320 68 residues pruned to eliminate duplicates Z: 25 26.056 2.032 0.788 0.667 0.917 0.667 CB 1.369 25 residues pruned to eliminate duplicates Z: 35 32.439 1.979 0.908 0.570 0.971 0.588 CB 1.420 35 residues pruned to eliminate duplicates Z: 7 5.517 2.043 -0.387 0.733 1.000 0.667 CB 1.458 6 residues pruned to eliminate duplicates Z: 14 14.368 2.057 0.631 0.627 0.923 0.769 CB 1.142 14 residues pruned to eliminate duplicates Z: 15 20.456 1.813 0.662 0.906 1.000 0.786 CB 1.290 15 residues pruned to eliminate duplicates Z: 6 5.803 1.895 0.206 0.513 0.800 0.400 CB 1.401 6 residues pruned to eliminate duplicates Z: 30 29.337 1.925 0.867 0.606 0.931 0.759 CB 1.472 22 residues pruned to eliminate duplicates Z: 8 8.717 1.672 0.634 0.677 1.000 0.857 CB 1.025 8 residues pruned to eliminate duplicates 6 1.633 1.374 0.217 0.299 0.600 0.400 O 0.911 ? Z: 68 29.615 1.923 0.581 0.502 0.881 0.582 CB 1.349 68 residues pruned to eliminate duplicates Z: 17 25.620 2.176 0.978 0.593 0.938 0.688 CB 1.452 17 residues pruned to eliminate duplicates Z: 7 3.903 1.757 -0.165 0.602 1.000 0.667 CB 0.986 Z: 9 5.082 1.795 0.062 0.514 0.750 0.625 N 1.239 Z: 64 43.791 2.335 0.870 0.491 0.841 0.587 CB 1.515 64 residues pruned to eliminate duplicates Z: 6 11.973 1.848 0.733 0.827 1.000 0.800 CB 1.260 6 residues pruned to eliminate duplicates Z: 6 5.727 1.852 0.128 0.529 1.000 0.800 CA 1.192 Z: 22 10.302 1.724 0.692 0.224 0.905 0.429 CB 1.176 22 residues pruned to eliminate duplicates Z: 28 47.235 2.356 1.048 0.622 0.963 0.630 CA 1.744 28 residues pruned to eliminate duplicates Z: 15 20.384 1.782 0.741 0.900 1.000 0.857 CB 1.255 15 residues pruned to eliminate duplicates Z: 12 2.162 1.592 0.047 0.205 0.636 0.182 CB 0.871 Z: 50 41.194 2.153 0.881 0.501 0.857 0.571 CB 1.694 78 residues pruned to eliminate duplicates Z: 11 20.895 2.053 0.925 0.845 0.900 0.700 CB 1.381 11 residues pruned to eliminate duplicates Z: 82 48.265 2.264 0.932 0.454 0.889 0.667 CB 1.445 82 residues pruned to eliminate duplicates Z: 14 18.700 1.852 0.821 0.836 1.000 0.692 CB 1.151 14 residues pruned to eliminate duplicates Z: 16 17.838 1.921 0.514 0.892 0.933 0.733 CB 1.219 16 residues pruned to eliminate duplicates Z: 16 4.889 1.732 -0.033 0.334 0.800 0.467 CB 1.130 9 residues pruned to eliminate duplicates Z: 7 5.862 1.520 0.918 0.335 0.833 0.667 CA 1.179 7 residues pruned to eliminate duplicates Z: 13 13.593 1.891 0.618 0.543 0.917 0.833 CA 1.341 13 residues pruned to eliminate duplicates Z: 14 22.768 2.082 0.608 0.931 1.000 0.385 CB 1.318 14 residues pruned to eliminate duplicates Z: 18 24.334 1.862 0.897 0.904 0.941 0.412 CB 1.265 18 residues pruned to eliminate duplicates Z: 16 19.122 1.982 0.503 0.913 0.867 0.733 CB 1.353 16 residues pruned to eliminate duplicates Z: 105 61.042 2.233 1.112 0.493 0.885 0.615 CB 1.446 107 residues pruned to eliminate duplicates Z: 11 15.012 1.770 0.544 0.780 0.900 0.600 CA 1.509 11 residues pruned to eliminate duplicates Z: 15 14.751 1.800 0.251 0.896 1.000 0.714 CB 1.254 15 residues pruned to eliminate duplicates Z: 7 2.897 1.734 0.162 0.247 0.833 0.667 CB 0.943 Z: 20 35.251 2.412 0.716 0.676 0.947 0.737 CB 1.753 20 residues pruned to eliminate duplicates Z: 36 35.954 2.178 1.021 0.573 0.857 0.571 CB 1.501 36 residues pruned to eliminate duplicates Z: 30 36.617 2.191 0.825 0.502 0.931 0.517 CB 1.822 30 residues pruned to eliminate duplicates Z: 26 23.153 1.974 0.942 0.601 0.840 0.480 CB 1.306 26 residues pruned to eliminate duplicates Z: 7 10.788 2.020 -0.018 0.727 1.000 0.667 C 1.810 11 residues pruned to eliminate duplicates Z: 7 4.232 1.879 -0.106 0.336 0.833 0.500 N 1.476 7 residues pruned to eliminate duplicates Z: 14 12.251 1.688 0.472 0.516 1.000 0.538 CB 1.346 14 residues pruned to eliminate duplicates Z: 15 17.606 1.782 0.639 0.886 0.929 0.714 CB 1.252 15 residues pruned to eliminate duplicates Z: 10 11.909 1.833 0.543 0.779 0.778 0.667 CB 1.411 10 residues pruned to eliminate duplicates Z: 9 12.572 1.684 0.984 0.674 0.875 0.375 CA 1.295 9 residues pruned to eliminate duplicates Z: 9 10.665 1.978 0.157 0.605 1.000 0.750 CB 1.491 6 residues pruned to eliminate duplicates Z: 14 20.822 1.973 0.939 0.795 0.923 0.692 CA 1.263 14 residues pruned to eliminate duplicates Z: 12 10.960 1.823 0.704 0.447 0.818 0.545 CB 1.373 12 residues pruned to eliminate duplicates Z: 8 11.073 1.826 0.788 0.842 0.857 0.571 CB 1.115 8 residues pruned to eliminate duplicates Z: 85 64.463 2.337 0.972 0.541 0.905 0.631 CB 1.620 85 residues pruned to eliminate duplicates Z: 16 30.364 2.240 0.632 0.933 0.933 0.933 CA 1.603 16 residues pruned to eliminate duplicates Z: 30 27.445 1.999 0.653 0.663 0.966 0.690 CB 1.374 30 residues pruned to eliminate duplicates Z: 15 16.608 1.712 0.558 0.919 1.000 0.929 CB 1.173 15 residues pruned to eliminate duplicates Z: 15 20.386 1.827 0.806 0.887 0.929 0.714 CB 1.282 15 residues pruned to eliminate duplicates Z: 43 30.066 2.153 0.818 0.465 0.881 0.500 CB 1.393 43 residues pruned to eliminate duplicates Z: 10 3.620 1.511 0.149 0.342 0.778 0.444 CA 1.062 10 residues pruned to eliminate duplicates Z: 28 16.277 1.750 0.464 0.524 0.889 0.444 CB 1.343 28 residues pruned to eliminate duplicates Z: 16 34.764 2.351 0.722 0.927 0.933 0.867 CB 1.665 16 residues pruned to eliminate duplicates Z: 12 18.250 2.002 0.601 0.783 1.000 0.727 CB 1.339 12 residues pruned to eliminate duplicates Z: 32 15.531 1.804 0.614 0.413 0.871 0.484 CB 1.205 32 residues pruned to eliminate duplicates Z: 17 4.018 1.689 0.370 0.217 0.562 0.312 CB 1.077 17 residues pruned to eliminate duplicates Z: 16 17.807 1.957 0.440 0.887 0.933 0.800 CB 1.260 16 residues pruned to eliminate duplicates Z: 51 26.257 1.879 0.631 0.535 0.940 0.680 CB 1.244 52 residues pruned to eliminate duplicates Z: 11 22.456 2.068 0.950 0.551 1.000 0.400 CA 1.676 11 residues pruned to eliminate duplicates Z: 14 15.740 1.918 0.562 0.586 1.000 0.385 CB 1.342 13 residues pruned to eliminate duplicates Z: 7 4.389 1.901 0.344 0.494 1.000 0.500 CB 0.705 4 residues pruned to eliminate duplicates Z: 6 9.743 1.798 0.720 0.679 1.000 0.800 N 1.195 Z: 14 13.325 2.000 0.550 0.569 0.769 0.462 CB 1.450 14 residues pruned to eliminate duplicates Z: 36 51.307 2.445 0.989 0.639 0.971 0.600 CB 1.612 36 residues pruned to eliminate duplicates Z: 6 8.376 1.568 0.902 0.843 0.800 0.600 O 1.168 6 residues pruned to eliminate duplicates Z: 20 32.096 2.081 1.085 0.676 1.000 0.842 CB 1.444 20 residues pruned to eliminate duplicates Z: 115 65.082 2.275 0.965 0.463 0.904 0.579 CB 1.568 219 residues pruned to eliminate duplicates Z: 14 13.043 2.040 0.349 0.456 0.846 0.769 CB 1.625 Z: 15 21.878 1.792 0.754 0.908 1.000 0.786 CB 1.322 15 residues pruned to eliminate duplicates 6 1.283 1.318 0.313 0.471 0.800 0.600 CB 0.427 ? Z: 6 4.215 1.678 -0.107 0.728 1.000 0.800 CB 1.024 6 residues pruned to eliminate duplicates Z: 7 8.174 1.886 0.353 0.535 1.000 0.667 CB 1.264 Z: 6 4.738 1.600 0.579 0.564 0.800 0.400 CB 0.985 Z: 20 36.695 2.147 0.888 0.751 1.000 0.895 CB 1.660 Z: 6 2.534 1.556 0.611 0.543 0.600 0.400 CB 0.723 Z: 6 6.649 1.644 0.402 0.792 1.000 1.000 CA 0.999 Z: 10 6.127 1.601 0.729 0.277 0.889 0.333 CB 1.069 Z: 9 5.140 1.547 0.605 0.379 0.875 0.625 CA 0.952 9 residues pruned to eliminate duplicates Z: 15 26.370 2.057 1.040 0.907 0.857 0.357 CB 1.393 15 residues pruned to eliminate duplicates Z: 11 21.731 1.742 0.925 0.895 1.000 0.800 CA 1.469 14 residues pruned to eliminate duplicates Z: 34 29.918 1.943 0.976 0.563 0.970 0.545 CB 1.316 Z: 14 20.940 2.006 0.669 0.848 1.000 0.769 CA 1.287 14 residues pruned to eliminate duplicates Z: 14 12.762 1.871 0.486 0.569 0.923 0.769 CB 1.291 14 residues pruned to eliminate duplicates Z: 29 25.414 2.061 0.939 0.577 0.857 0.679 CB 1.302 29 residues pruned to eliminate duplicates Z: 7 6.113 1.618 0.625 0.250 1.000 0.667 N 1.266 7 residues pruned to eliminate duplicates Z: 8 2.766 1.562 0.716 0.253 0.714 0.571 CB 0.726 8 residues pruned to eliminate duplicates Z: 12 21.820 2.063 0.757 0.762 1.000 0.636 CA 1.438 12 residues pruned to eliminate duplicates Z: 23 28.384 2.116 1.043 0.643 0.864 0.591 CA 1.418 Z: 13 30.058 2.202 1.130 0.913 1.000 0.500 CB 1.309 13 residues pruned to eliminate duplicates Z: 10 15.412 1.986 0.476 0.868 0.889 0.778 CB 1.442 11 residues pruned to eliminate duplicates 337 residues left after pruning, divided into chains as follows: A: 46 B: 7 C: 20 D: 6 E: 205 F: 11 G: 20 H: 22 CC for partial structure against native data = 32.21 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.578, Connect. = 0.696 for dens.mod. cycle 1 = 0.300, Contrast = 0.687, Connect. = 0.736 for dens.mod. cycle 2 = 0.300, Contrast = 0.831, Connect. = 0.772 for dens.mod. cycle 3 = 0.300, Contrast = 0.863, Connect. = 0.776 for dens.mod. cycle 4 = 0.300, Contrast = 0.888, Connect. = 0.780 for dens.mod. cycle 5 = 0.300, Contrast = 0.900, Connect. = 0.783 for dens.mod. cycle 6 = 0.300, Contrast = 0.911, Connect. = 0.785 for dens.mod. cycle 7 = 0.300, Contrast = 0.916, Connect. = 0.786 for dens.mod. cycle 8 = 0.300, Contrast = 0.920, Connect. = 0.787 for dens.mod. cycle 9 = 0.300, Contrast = 0.922, Connect. = 0.788 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2093 peaks > 0.5 sigma used to seed fragment search Space for about 710 unique residues taking solvent into account 462 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 50.462 2.730 0.930 0.944 1.000 0.909 CA 2.000 B: 15 48.737 2.461 1.170 0.900 1.000 0.786 CB 1.742 12 residues pruned to eliminate duplicates C: 14 47.809 2.568 0.964 0.938 1.000 0.692 CA 1.828 15 residues pruned to eliminate duplicates D: 17 38.801 2.369 0.736 0.940 0.938 0.875 CB 1.747 E: 14 44.293 2.645 0.858 0.929 1.000 1.000 CA 1.749 13 residues pruned to eliminate duplicates F: 14 27.253 2.113 1.062 0.667 0.923 0.923 CB 1.611 G: 29 42.568 2.444 1.086 0.586 0.893 0.571 CB 1.627 15 residues pruned to eliminate duplicates H: 86 59.323 2.320 0.927 0.524 0.906 0.541 CB 1.552 17 residues pruned to eliminate duplicates I: 15 27.987 2.091 0.659 0.927 1.000 0.786 CB 1.510 J: 7 21.392 2.342 0.869 0.550 1.000 1.000 CB 1.900 7 residues pruned to eliminate duplicates K: 15 40.101 2.468 1.015 0.907 0.929 0.643 CA 1.650 15 residues pruned to eliminate duplicates L: 14 42.910 2.619 0.972 0.920 1.000 0.846 CA 1.623 14 residues pruned to eliminate duplicates M: 13 22.446 2.156 0.815 0.625 0.917 0.667 CB 1.606 14 residues pruned to eliminate duplicates N: 30 16.150 1.950 0.749 0.351 0.793 0.517 CB 1.303 30 residues pruned to eliminate duplicates O: 16 45.005 2.385 1.324 0.924 0.933 0.467 CA 1.578 16 residues pruned to eliminate duplicates P: 15 38.547 2.442 0.746 0.921 0.929 0.786 CA 1.832 15 residues pruned to eliminate duplicates Q: 16 40.871 2.468 0.824 0.919 0.933 0.667 CB 1.770 16 residues pruned to eliminate duplicates R: 15 49.621 2.534 1.235 0.925 0.929 0.429 CB 1.769 15 residues pruned to eliminate duplicates S: 28 45.338 2.243 0.950 0.639 1.000 0.630 CB 1.752 T: 9 9.643 2.162 0.855 0.408 0.625 0.500 CA 1.498 9 residues pruned to eliminate duplicates U: 14 54.333 2.661 1.223 0.934 0.923 0.538 CB 1.924 14 residues pruned to eliminate duplicates V: 15 29.787 2.114 0.828 0.917 1.000 0.857 CA 1.454 15 residues pruned to eliminate duplicates W: 9 24.403 2.240 1.075 0.851 0.875 0.625 CB 1.571 X: 16 42.934 2.489 0.861 0.915 0.933 0.733 CA 1.812 16 residues pruned to eliminate duplicates Y: 13 23.231 2.120 0.633 0.827 1.000 0.833 CB 1.460 13 residues pruned to eliminate duplicates Z: 17 41.597 2.405 0.833 0.925 1.000 0.875 CB 1.655 17 residues pruned to eliminate duplicates Z: 30 49.724 2.365 1.059 0.577 0.966 0.586 CB 1.824 31 residues pruned to eliminate duplicates Z: 10 17.295 1.919 0.686 0.822 0.889 0.444 CB 1.516 Z: 30 36.392 2.131 0.845 0.642 0.966 0.586 CB 1.559 30 residues pruned to eliminate duplicates Z: 15 38.061 2.513 0.730 0.925 0.929 0.786 CB 1.768 15 residues pruned to eliminate duplicates Z: 31 44.028 2.376 0.970 0.560 0.900 0.633 CB 1.799 31 residues pruned to eliminate duplicates Z: 16 39.645 2.445 0.878 0.927 0.933 0.800 CA 1.674 16 residues pruned to eliminate duplicates Z: 14 27.467 2.128 0.849 0.766 1.000 0.769 CA 1.528 14 residues pruned to eliminate duplicates Z: 10 27.184 2.490 0.437 0.922 1.000 1.000 CA 1.781 10 residues pruned to eliminate duplicates Z: 31 51.439 2.365 0.988 0.600 1.000 0.633 CB 1.816 29 residues pruned to eliminate duplicates Z: 13 28.826 2.180 0.852 0.747 1.000 0.417 CA 1.653 13 residues pruned to eliminate duplicates Z: 20 29.237 2.124 0.533 0.880 1.000 0.684 CA 1.493 20 residues pruned to eliminate duplicates Z: 64 50.906 2.268 0.927 0.494 0.905 0.540 CB 1.632 64 residues pruned to eliminate duplicates Z: 13 21.582 1.956 0.703 0.935 1.000 0.833 CA 1.303 13 residues pruned to eliminate duplicates Z: 58 45.182 2.346 0.871 0.504 0.877 0.719 CB 1.548 48 residues pruned to eliminate duplicates Z: 28 48.133 2.266 0.983 0.642 1.000 0.704 CA 1.804 28 residues pruned to eliminate duplicates Z: 9 21.710 2.131 0.810 0.817 0.875 0.500 N 1.728 10 residues pruned to eliminate duplicates Z: 29 18.709 2.123 0.829 0.240 0.893 0.536 CB 1.379 11 residues pruned to eliminate duplicates Z: 14 24.509 2.448 0.592 0.898 0.923 0.923 CA 1.352 14 residues pruned to eliminate duplicates Z: 11 20.936 2.056 0.765 0.778 1.000 0.900 CB 1.428 11 residues pruned to eliminate duplicates Z: 16 29.788 2.380 0.401 0.921 0.933 0.867 CA 1.739 16 residues pruned to eliminate duplicates Z: 32 49.483 2.368 1.205 0.556 0.935 0.710 CB 1.723 32 residues pruned to eliminate duplicates Z: 32 34.072 2.200 0.720 0.584 0.935 0.710 CB 1.594 Z: 20 30.334 2.067 1.085 0.626 0.895 0.632 CA 1.603 13 residues pruned to eliminate duplicates Z: 15 25.207 2.084 0.656 0.929 1.000 0.929 CA 1.366 15 residues pruned to eliminate duplicates Z: 17 31.096 2.331 0.611 0.887 0.938 0.750 CB 1.592 17 residues pruned to eliminate duplicates Z: 20 33.741 2.189 0.827 0.683 1.000 0.789 CA 1.637 20 residues pruned to eliminate duplicates Z: 8 19.557 1.990 0.810 0.756 1.000 0.857 CB 1.635 8 residues pruned to eliminate duplicates Z: 33 22.846 2.186 0.885 0.398 0.844 0.562 CB 1.294 33 residues pruned to eliminate duplicates Z: 13 23.696 2.031 1.275 0.727 0.917 0.667 CB 1.315 13 residues pruned to eliminate duplicates Z: 9 19.186 2.247 0.394 0.862 1.000 0.875 CA 1.590 9 residues pruned to eliminate duplicates Z: 29 57.997 2.512 1.198 0.605 0.964 0.500 CA 1.862 29 residues pruned to eliminate duplicates Z: 10 22.039 2.019 0.763 0.811 1.000 0.556 CA 1.574 9 residues pruned to eliminate duplicates Z: 15 27.119 2.079 0.637 0.893 1.000 0.929 CA 1.528 15 residues pruned to eliminate duplicates Z: 16 26.987 1.998 0.676 0.912 0.933 0.800 CA 1.578 16 residues pruned to eliminate duplicates Z: 13 22.887 2.139 0.721 0.789 0.833 0.667 CB 1.671 13 residues pruned to eliminate duplicates Z: 29 36.414 2.179 0.890 0.594 0.893 0.714 CB 1.712 29 residues pruned to eliminate duplicates Z: 20 33.715 2.089 1.098 0.732 1.000 0.895 CB 1.432 21 residues pruned to eliminate duplicates Z: 8 18.356 2.194 0.467 0.871 0.857 0.857 CA 1.834 8 residues pruned to eliminate duplicates Z: 47 44.496 2.187 0.732 0.597 0.957 0.630 CB 1.650 59 residues pruned to eliminate duplicates Z: 16 34.057 2.345 0.781 0.892 0.933 0.733 CA 1.621 16 residues pruned to eliminate duplicates Z: 7 10.442 2.000 0.675 0.741 0.833 0.500 CA 1.231 7 residues pruned to eliminate duplicates Z: 34 23.548 2.058 0.477 0.535 0.970 0.727 CB 1.344 Z: 82 47.240 2.259 0.973 0.410 0.889 0.556 CB 1.456 82 residues pruned to eliminate duplicates Z: 14 27.217 2.106 0.881 0.789 0.923 0.692 CA 1.602 14 residues pruned to eliminate duplicates Z: 28 39.294 2.228 0.891 0.569 0.963 0.704 CB 1.744 28 residues pruned to eliminate duplicates Z: 33 32.993 2.096 0.708 0.601 1.000 0.750 CB 1.480 33 residues pruned to eliminate duplicates Z: 8 21.685 2.251 0.888 0.771 1.000 0.857 CB 1.517 Z: 17 49.999 2.333 1.142 0.919 1.000 0.438 CB 1.763 17 residues pruned to eliminate duplicates Z: 16 17.818 1.909 0.740 0.496 0.867 0.533 CB 1.606 16 residues pruned to eliminate duplicates Z: 21 35.360 2.102 0.954 0.714 1.000 0.950 CA 1.586 21 residues pruned to eliminate duplicates Z: 65 41.916 2.242 0.871 0.427 0.906 0.609 CB 1.487 65 residues pruned to eliminate duplicates Z: 19 33.050 2.166 0.900 0.845 0.944 0.611 CA 1.489 19 residues pruned to eliminate duplicates Z: 38 41.369 2.190 0.961 0.520 0.946 0.541 CB 1.643 38 residues pruned to eliminate duplicates Z: 16 26.909 2.398 0.331 0.926 0.933 0.933 CB 1.635 16 residues pruned to eliminate duplicates Z: 12 22.504 2.113 0.610 0.793 1.000 0.909 CA 1.542 12 residues pruned to eliminate duplicates Z: 12 19.831 2.071 0.517 0.777 0.909 0.545 CA 1.639 12 residues pruned to eliminate duplicates Z: 15 31.559 2.006 0.898 0.914 1.000 0.929 CA 1.566 Z: 10 6.845 2.084 -0.303 0.589 1.000 0.556 CB 1.444 Z: 14 20.705 2.064 0.483 0.801 1.000 0.692 CA 1.442 14 residues pruned to eliminate duplicates Z: 87 62.654 2.370 0.900 0.530 0.907 0.570 CB 1.607 87 residues pruned to eliminate duplicates Z: 31 46.284 2.375 0.934 0.546 0.933 0.667 CB 1.885 32 residues pruned to eliminate duplicates Z: 20 33.308 2.203 0.721 0.689 1.000 0.842 CB 1.694 20 residues pruned to eliminate duplicates Z: 13 28.602 2.206 0.923 0.748 0.917 0.750 CA 1.702 13 residues pruned to eliminate duplicates Z: 16 25.581 1.988 0.720 0.887 0.933 0.600 CA 1.493 15 residues pruned to eliminate duplicates Z: 41 51.388 2.288 0.938 0.566 0.975 0.675 CB 1.764 41 residues pruned to eliminate duplicates Z: 11 6.515 2.048 -0.276 0.591 1.000 0.800 CB 1.274 10 residues pruned to eliminate duplicates Z: 22 26.795 2.225 0.675 0.614 0.905 0.762 CB 1.556 22 residues pruned to eliminate duplicates Z: 6 3.934 2.126 -0.366 0.580 1.000 0.800 CB 1.208 6 residues pruned to eliminate duplicates Z: 22 40.795 2.363 1.169 0.656 0.905 0.619 CA 1.661 22 residues pruned to eliminate duplicates Z: 13 14.245 2.003 0.487 0.723 0.833 0.750 CA 1.354 13 residues pruned to eliminate duplicates Z: 91 66.582 2.323 0.889 0.549 0.944 0.622 CB 1.615 91 residues pruned to eliminate duplicates Z: 14 20.735 2.058 0.571 0.782 1.000 0.462 CB 1.387 14 residues pruned to eliminate duplicates Z: 20 26.064 2.220 1.227 0.484 0.842 0.684 CB 1.460 20 residues pruned to eliminate duplicates Z: 28 22.445 2.005 0.448 0.580 0.926 0.630 CA 1.488 20 residues pruned to eliminate duplicates Z: 13 26.543 2.240 0.845 0.769 0.917 0.667 CA 1.595 13 residues pruned to eliminate duplicates Z: 15 23.573 2.005 0.599 0.935 1.000 0.929 CA 1.370 15 residues pruned to eliminate duplicates Z: 23 25.444 2.220 0.702 0.551 0.955 0.727 CB 1.431 23 residues pruned to eliminate duplicates Z: 16 20.238 2.299 0.220 0.872 0.867 0.867 CA 1.567 16 residues pruned to eliminate duplicates Z: 34 23.103 2.001 0.353 0.613 0.939 0.606 CB 1.421 10 residues pruned to eliminate duplicates Z: 15 19.950 1.836 0.475 0.943 1.000 0.929 CB 1.365 13 residues pruned to eliminate duplicates Z: 17 19.961 2.014 0.424 0.839 0.938 0.688 CB 1.387 17 residues pruned to eliminate duplicates Z: 16 22.042 1.901 0.742 0.885 0.933 0.867 CA 1.330 16 residues pruned to eliminate duplicates Z: 29 28.335 2.042 0.863 0.604 0.857 0.536 CB 1.488 28 residues pruned to eliminate duplicates Z: 9 25.069 2.218 0.719 0.896 1.000 0.750 CA 1.665 9 residues pruned to eliminate duplicates Z: 30 35.291 2.134 0.688 0.606 1.000 0.655 CB 1.645 30 residues pruned to eliminate duplicates Z: 14 6.694 1.812 0.245 0.262 0.923 0.308 CB 1.170 11 residues pruned to eliminate duplicates Z: 16 24.373 2.032 0.863 0.898 0.933 0.733 CB 1.273 17 residues pruned to eliminate duplicates Z: 17 23.716 1.990 1.034 0.912 0.875 0.750 CB 1.186 17 residues pruned to eliminate duplicates Z: 18 34.162 2.298 0.648 0.904 0.941 0.882 CB 1.656 18 residues pruned to eliminate duplicates Z: 31 48.594 2.381 1.042 0.597 0.900 0.700 CB 1.848 31 residues pruned to eliminate duplicates Z: 28 47.863 2.244 1.023 0.660 1.000 0.704 CB 1.749 28 residues pruned to eliminate duplicates Z: 9 23.700 1.977 1.042 0.710 1.000 0.750 CA 1.716 9 residues pruned to eliminate duplicates Z: 35 38.968 2.050 0.841 0.623 0.941 0.765 CB 1.676 35 residues pruned to eliminate duplicates Z: 9 17.265 2.091 0.778 0.882 0.750 0.625 CA 1.584 9 residues pruned to eliminate duplicates Z: 28 33.630 2.146 0.755 0.591 0.963 0.667 CB 1.636 28 residues pruned to eliminate duplicates Z: 13 18.835 2.039 0.741 0.558 0.917 0.833 CB 1.578 13 residues pruned to eliminate duplicates Z: 31 51.057 2.340 1.057 0.570 1.000 0.600 CA 1.810 31 residues pruned to eliminate duplicates Z: 12 15.050 2.029 0.303 0.796 1.000 0.636 CB 1.325 12 residues pruned to eliminate duplicates Z: 14 17.020 1.892 0.325 0.915 1.000 0.846 CB 1.331 14 residues pruned to eliminate duplicates Z: 8 20.578 2.184 0.597 0.889 1.000 0.571 CB 1.605 8 residues pruned to eliminate duplicates Z: 23 17.423 2.029 0.632 0.453 0.909 0.636 CB 1.295 Z: 49 21.735 1.892 0.460 0.459 0.917 0.583 CB 1.292 33 residues pruned to eliminate duplicates Z: 20 30.310 2.157 0.737 0.672 1.000 0.842 CB 1.583 20 residues pruned to eliminate duplicates Z: 8 25.023 2.253 1.135 0.706 1.000 0.714 CA 1.630 8 residues pruned to eliminate duplicates Z: 13 20.037 2.035 0.514 0.845 0.917 0.667 CB 1.523 13 residues pruned to eliminate duplicates Z: 17 20.079 1.957 0.442 0.923 0.938 0.875 CA 1.334 17 residues pruned to eliminate duplicates Z: 81 46.092 2.251 0.788 0.452 0.913 0.600 CB 1.474 81 residues pruned to eliminate duplicates Z: 13 19.751 2.092 0.667 0.787 0.917 0.667 CA 1.385 13 residues pruned to eliminate duplicates Z: 17 21.112 1.921 0.573 0.927 0.938 0.938 CA 1.306 17 residues pruned to eliminate duplicates Z: 17 11.278 1.962 0.465 0.415 0.938 0.438 CB 1.143 17 residues pruned to eliminate duplicates Z: 11 12.712 2.058 0.915 0.607 0.800 0.600 CB 1.152 11 residues pruned to eliminate duplicates Z: 10 21.265 2.045 0.672 0.845 0.889 0.778 CA 1.734 10 residues pruned to eliminate duplicates Z: 18 21.303 2.160 0.726 0.489 0.941 0.471 CB 1.488 18 residues pruned to eliminate duplicates Z: 6 6.813 2.015 -0.225 0.689 1.000 0.800 N 1.641 Z: 6 3.705 1.568 0.216 0.803 0.800 0.400 CA 0.834 Z: 16 16.536 2.045 0.598 0.533 1.000 0.533 CB 1.265 16 residues pruned to eliminate duplicates Z: 9 24.328 2.164 1.147 0.852 0.875 0.875 CA 1.565 9 residues pruned to eliminate duplicates Z: 10 4.147 1.738 -0.150 0.338 0.778 0.333 N 1.437 Z: 31 25.117 2.195 0.451 0.572 0.900 0.767 CB 1.493 31 residues pruned to eliminate duplicates Z: 13 22.770 2.127 0.605 0.795 1.000 0.583 CA 1.487 13 residues pruned to eliminate duplicates Z: 16 25.020 2.049 0.783 0.904 1.000 0.867 CB 1.259 16 residues pruned to eliminate duplicates Z: 7 2.408 1.711 -0.322 0.685 0.833 0.667 CB 0.859 Z: 22 22.809 2.231 0.560 0.599 0.905 0.810 CB 1.439 22 residues pruned to eliminate duplicates Z: 30 51.893 2.381 1.062 0.594 0.966 0.621 CA 1.858 30 residues pruned to eliminate duplicates Z: 30 47.916 2.365 1.115 0.581 0.966 0.483 CB 1.704 30 residues pruned to eliminate duplicates Z: 86 56.895 2.307 0.891 0.536 0.894 0.635 CB 1.527 86 residues pruned to eliminate duplicates Z: 17 31.480 1.924 1.094 0.902 0.938 0.438 CA 1.487 16 residues pruned to eliminate duplicates Z: 17 20.523 1.930 0.339 0.891 1.000 0.938 CB 1.427 17 residues pruned to eliminate duplicates Z: 8 7.378 1.857 0.764 0.551 0.714 0.571 CA 1.134 8 residues pruned to eliminate duplicates Z: 14 18.098 2.053 0.362 0.753 0.923 0.846 CA 1.552 14 residues pruned to eliminate duplicates Z: 9 25.312 2.215 0.837 0.833 1.000 0.750 CB 1.650 9 residues pruned to eliminate duplicates Z: 6 11.666 2.052 0.796 0.528 0.800 0.600 O 1.722 6 residues pruned to eliminate duplicates Z: 45 50.237 2.220 0.893 0.614 0.977 0.705 CB 1.656 93 residues pruned to eliminate duplicates Z: 16 16.349 1.770 0.227 0.925 1.000 0.867 CB 1.364 16 residues pruned to eliminate duplicates Z: 12 23.175 2.118 1.065 0.577 1.000 0.818 CB 1.483 11 residues pruned to eliminate duplicates Z: 36 19.458 1.890 0.706 0.503 0.857 0.514 CB 1.186 36 residues pruned to eliminate duplicates Z: 82 66.483 2.342 0.957 0.565 0.951 0.630 CB 1.592 82 residues pruned to eliminate duplicates Z: 6 5.417 1.791 -0.079 0.776 1.000 0.800 CB 1.151 7 residues pruned to eliminate duplicates Z: 27 26.619 2.112 0.744 0.516 0.885 0.615 CB 1.577 27 residues pruned to eliminate duplicates Z: 28 21.121 2.021 0.393 0.589 0.889 0.667 CA 1.492 28 residues pruned to eliminate duplicates Z: 10 18.001 2.020 0.814 0.855 0.889 0.667 CA 1.360 10 residues pruned to eliminate duplicates Z: 11 15.935 1.945 0.410 0.869 1.000 0.700 CB 1.342 11 residues pruned to eliminate duplicates Z: 28 42.904 2.228 0.878 0.628 1.000 0.667 CB 1.750 Z: 10 10.012 1.747 1.029 0.502 0.778 0.556 CB 1.208 Z: 6 11.299 2.064 0.082 0.771 1.000 0.800 C 1.781 Z: 15 25.186 2.056 0.856 0.929 0.929 0.571 CB 1.329 15 residues pruned to eliminate duplicates Z: 7 10.071 1.643 1.125 0.796 0.833 0.667 CB 1.091 7 residues pruned to eliminate duplicates Z: 15 35.119 2.398 0.724 0.897 1.000 0.500 CA 1.625 15 residues pruned to eliminate duplicates Z: 15 26.886 2.147 0.627 0.926 1.000 0.929 CB 1.442 15 residues pruned to eliminate duplicates Z: 14 16.970 2.030 0.659 0.622 0.923 0.769 CB 1.350 Z: 16 15.664 1.972 0.360 0.872 0.933 0.800 CB 1.178 16 residues pruned to eliminate duplicates Z: 7 10.561 1.609 1.029 0.756 1.000 0.167 CB 1.051 7 residues pruned to eliminate duplicates Z: 24 18.979 1.953 0.635 0.575 0.783 0.478 CB 1.473 37 residues pruned to eliminate duplicates Z: 17 22.786 2.000 0.448 0.924 1.000 0.938 CB 1.381 17 residues pruned to eliminate duplicates Z: 15 19.917 1.841 0.434 0.915 1.000 0.857 CB 1.425 15 residues pruned to eliminate duplicates Z: 15 18.354 1.825 0.449 0.906 1.000 1.000 CB 1.319 15 residues pruned to eliminate duplicates Z: 75 53.926 2.285 0.894 0.476 0.892 0.649 CB 1.663 82 residues pruned to eliminate duplicates Z: 31 26.248 2.207 0.610 0.556 0.900 0.733 CB 1.419 24 residues pruned to eliminate duplicates Z: 83 65.609 2.329 0.865 0.576 0.939 0.683 CB 1.651 83 residues pruned to eliminate duplicates Z: 21 41.745 2.038 1.182 0.905 0.950 0.650 CA 1.573 21 residues pruned to eliminate duplicates Z: 7 6.660 1.993 -0.275 0.760 1.000 1.000 CB 1.494 7 residues pruned to eliminate duplicates Z: 16 20.174 1.766 0.529 0.898 1.000 0.800 CB 1.379 16 residues pruned to eliminate duplicates Z: 14 31.052 2.195 0.938 0.924 0.923 0.923 CA 1.540 14 residues pruned to eliminate duplicates Z: 16 30.783 2.052 1.005 0.936 1.000 0.600 CB 1.345 16 residues pruned to eliminate duplicates Z: 16 24.445 1.960 0.716 0.907 1.000 0.867 CA 1.334 16 residues pruned to eliminate duplicates Z: 49 27.385 2.007 0.546 0.492 0.917 0.667 CB 1.402 48 residues pruned to eliminate duplicates Z: 10 23.021 1.797 0.984 0.848 1.000 0.667 CA 1.597 10 residues pruned to eliminate duplicates Z: 14 25.260 2.050 0.745 0.626 1.000 0.769 CB 1.740 14 residues pruned to eliminate duplicates Z: 22 24.131 2.359 0.559 0.644 0.857 0.762 CA 1.461 22 residues pruned to eliminate duplicates Z: 16 23.832 2.037 0.428 0.922 1.000 0.867 CB 1.487 16 residues pruned to eliminate duplicates Z: 6 4.076 1.728 0.469 0.297 0.800 0.400 CA 1.127 Z: 16 9.357 1.691 0.785 0.415 0.867 0.333 CB 1.009 Z: 34 18.461 1.836 0.400 0.523 0.939 0.636 CB 1.301 34 residues pruned to eliminate duplicates Z: 14 18.892 1.872 0.597 0.917 0.923 0.769 CB 1.340 14 residues pruned to eliminate duplicates Z: 29 32.459 2.097 0.613 0.615 0.964 0.714 CB 1.687 29 residues pruned to eliminate duplicates Z: 14 7.226 1.722 0.667 0.297 0.692 0.538 CB 1.266 11 residues pruned to eliminate duplicates Z: 15 19.174 1.797 0.421 0.927 1.000 0.929 CB 1.406 15 residues pruned to eliminate duplicates Z: 6 2.898 1.874 0.382 0.298 0.600 0.400 CB 1.046 Z: 12 18.576 2.290 0.489 0.511 1.000 0.636 CA 1.625 12 residues pruned to eliminate duplicates Z: 6 4.075 1.793 1.005 0.372 0.600 0.400 CB 0.969 Z: 15 36.289 2.052 1.220 0.888 1.000 0.500 CB 1.533 15 residues pruned to eliminate duplicates Z: 23 25.178 2.192 1.038 0.338 0.909 0.545 CB 1.576 23 residues pruned to eliminate duplicates Z: 27 23.313 2.044 0.505 0.561 0.885 0.615 CA 1.584 22 residues pruned to eliminate duplicates Z: 15 30.141 2.071 1.071 0.909 1.000 0.500 CB 1.333 15 residues pruned to eliminate duplicates Z: 15 33.290 2.049 1.024 0.931 1.000 0.643 CA 1.500 15 residues pruned to eliminate duplicates Z: 16 30.677 1.926 0.918 0.929 1.000 0.467 CB 1.501 16 residues pruned to eliminate duplicates Z: 26 22.265 2.189 0.876 0.320 0.960 0.600 CB 1.377 26 residues pruned to eliminate duplicates Z: 11 26.933 2.299 1.010 0.540 1.000 0.600 CA 1.772 11 residues pruned to eliminate duplicates Z: 32 36.322 2.119 0.885 0.569 0.935 0.677 CB 1.633 31 residues pruned to eliminate duplicates Z: 16 20.735 2.030 0.524 0.838 0.933 0.667 CB 1.386 16 residues pruned to eliminate duplicates Z: 135 78.120 2.255 0.969 0.508 0.933 0.597 CB 1.616 136 residues pruned to eliminate duplicates Z: 16 30.464 1.980 0.899 0.907 1.000 0.800 CB 1.487 16 residues pruned to eliminate duplicates Z: 32 22.033 2.116 0.521 0.477 0.903 0.645 CB 1.393 31 residues pruned to eliminate duplicates Z: 61 36.317 2.039 0.899 0.463 0.867 0.683 CB 1.451 64 residues pruned to eliminate duplicates Z: 9 6.567 1.791 0.068 0.466 1.000 0.625 N 1.257 Z: 17 21.573 1.976 0.413 0.909 1.000 0.875 CA 1.371 17 residues pruned to eliminate duplicates Z: 16 27.315 2.239 0.729 0.889 0.933 0.867 CA 1.406 16 residues pruned to eliminate duplicates Z: 7 8.274 1.634 0.468 0.754 0.833 0.833 O 1.347 7 residues pruned to eliminate duplicates Z: 105 55.436 2.256 0.779 0.507 0.865 0.663 CB 1.554 105 residues pruned to eliminate duplicates Z: 10 11.290 1.719 0.774 0.572 0.889 0.778 CB 1.296 10 residues pruned to eliminate duplicates Z: 10 6.437 1.925 0.098 0.466 0.667 0.556 CB 1.576 Z: 6 5.180 1.681 0.970 0.523 0.600 0.600 N 1.140 Z: 136 73.126 2.271 0.928 0.507 0.933 0.563 CB 1.529 136 residues pruned to eliminate duplicates Z: 32 48.895 2.388 1.048 0.617 0.935 0.581 CB 1.718 32 residues pruned to eliminate duplicates Z: 12 12.964 1.957 0.435 0.798 0.818 0.727 CA 1.310 12 residues pruned to eliminate duplicates Z: 7 14.371 1.861 0.967 0.631 1.000 0.833 CB 1.417 8 residues pruned to eliminate duplicates Z: 10 4.601 1.951 0.152 0.338 0.778 0.444 CB 1.047 8 residues pruned to eliminate duplicates Z: 43 48.643 2.191 0.988 0.591 0.976 0.643 CB 1.618 75 residues pruned to eliminate duplicates Z: 32 28.250 2.120 0.754 0.603 0.871 0.774 CB 1.420 Z: 39 31.787 2.120 0.810 0.484 0.895 0.684 CB 1.526 39 residues pruned to eliminate duplicates Z: 57 49.400 2.280 1.056 0.493 0.911 0.625 CB 1.558 57 residues pruned to eliminate duplicates Z: 12 15.905 2.214 0.992 0.379 0.909 0.636 CA 1.361 18 residues pruned to eliminate duplicates Z: 17 24.605 1.922 0.712 0.899 1.000 0.688 CA 1.336 17 residues pruned to eliminate duplicates Z: 72 47.485 2.199 0.821 0.491 0.930 0.592 CB 1.527 72 residues pruned to eliminate duplicates Z: 23 16.916 2.015 0.741 0.363 0.864 0.682 CB 1.379 6 residues pruned to eliminate duplicates Z: 65 49.506 2.246 0.849 0.480 0.984 0.516 CB 1.544 65 residues pruned to eliminate duplicates Z: 22 17.671 2.280 0.624 0.350 0.905 0.524 CB 1.354 22 residues pruned to eliminate duplicates Z: 7 7.037 1.900 -0.136 0.665 1.000 0.667 N 1.503 Z: 17 21.471 1.973 0.383 0.877 1.000 0.688 CB 1.428 17 residues pruned to eliminate duplicates Z: 26 27.862 2.120 0.722 0.667 0.960 0.560 CB 1.362 26 residues pruned to eliminate duplicates Z: 16 23.812 1.953 0.586 0.917 1.000 0.933 CA 1.401 16 residues pruned to eliminate duplicates Z: 11 14.722 1.908 0.888 0.617 0.800 0.500 CB 1.446 11 residues pruned to eliminate duplicates Z: 28 38.807 2.407 0.869 0.643 0.815 0.741 CB 1.783 28 residues pruned to eliminate duplicates Z: 15 24.792 2.101 0.651 0.896 1.000 0.714 CB 1.369 15 residues pruned to eliminate duplicates Z: 11 21.684 2.200 0.622 0.807 1.000 0.900 CB 1.470 11 residues pruned to eliminate duplicates Z: 8 16.445 2.057 0.953 0.703 0.857 0.571 CA 1.501 8 residues pruned to eliminate duplicates Z: 26 27.179 2.104 0.632 0.666 0.960 0.800 CB 1.414 26 residues pruned to eliminate duplicates Z: 29 35.874 2.163 0.757 0.617 1.000 0.643 CB 1.597 29 residues pruned to eliminate duplicates Z: 15 20.515 1.835 0.576 0.932 1.000 0.857 CB 1.324 15 residues pruned to eliminate duplicates Z: 10 5.662 1.628 0.718 0.382 0.667 0.556 CB 1.148 10 residues pruned to eliminate duplicates Z: 10 18.913 2.171 0.464 0.764 0.889 0.444 CB 1.765 12 residues pruned to eliminate duplicates Z: 11 7.733 1.724 0.502 0.509 0.700 0.500 N 1.336 11 residues pruned to eliminate duplicates Z: 15 33.948 2.075 0.971 0.929 1.000 0.500 CB 1.553 15 residues pruned to eliminate duplicates Z: 45 27.279 2.027 0.736 0.534 0.841 0.545 CB 1.344 44 residues pruned to eliminate duplicates Z: 41 17.592 1.835 0.663 0.372 0.875 0.525 CB 1.194 41 residues pruned to eliminate duplicates Z: 74 35.180 1.981 0.559 0.548 0.932 0.671 CB 1.366 74 residues pruned to eliminate duplicates Z: 20 15.817 1.853 0.675 0.447 0.842 0.368 CB 1.466 16 residues pruned to eliminate duplicates Z: 15 37.365 2.102 1.061 0.918 1.000 0.857 CA 1.626 20 residues pruned to eliminate duplicates Z: 6 6.774 1.849 0.357 0.620 1.000 0.600 CB 1.078 Z: 10 4.792 1.769 -0.044 0.595 0.778 0.556 CB 1.110 9 residues pruned to eliminate duplicates Z: 7 15.291 1.711 0.984 0.799 1.000 0.667 N 1.415 7 residues pruned to eliminate duplicates Z: 29 50.433 2.467 0.927 0.600 1.000 0.679 CA 1.823 29 residues pruned to eliminate duplicates Z: 17 18.798 1.981 0.401 0.774 0.938 0.562 CB 1.417 17 residues pruned to eliminate duplicates Z: 53 40.156 2.114 0.977 0.460 0.923 0.635 CB 1.504 53 residues pruned to eliminate duplicates Z: 17 19.073 1.975 0.643 0.871 0.938 0.875 CB 1.144 17 residues pruned to eliminate duplicates Z: 28 41.987 2.245 0.801 0.632 1.000 0.593 CB 1.766 29 residues pruned to eliminate duplicates Z: 11 20.209 1.953 0.766 0.841 0.900 0.600 CA 1.535 9 residues pruned to eliminate duplicates Z: 6 5.201 1.700 0.310 0.378 0.800 0.400 C 1.488 Z: 14 15.418 1.860 0.223 0.945 1.000 1.000 CB 1.301 14 residues pruned to eliminate duplicates Z: 26 31.473 2.078 0.749 0.608 0.960 0.800 CB 1.629 26 residues pruned to eliminate duplicates Z: 7 4.033 1.722 0.539 0.548 0.833 0.667 CB 0.711 4 residues pruned to eliminate duplicates Z: 29 34.086 2.066 0.868 0.651 0.964 0.643 CB 1.504 29 residues pruned to eliminate duplicates Z: 10 18.936 2.016 0.740 0.903 0.778 0.778 CB 1.649 10 residues pruned to eliminate duplicates Z: 12 25.169 2.155 0.781 0.803 1.000 0.727 CA 1.519 12 residues pruned to eliminate duplicates Z: 11 6.879 1.867 0.450 0.345 0.700 0.300 CB 1.359 Z: 99 55.934 2.213 0.833 0.493 0.929 0.582 CB 1.511 99 residues pruned to eliminate duplicates Z: 7 10.395 2.243 0.618 0.508 0.667 0.667 CB 1.741 7 residues pruned to eliminate duplicates Z: 62 47.998 2.286 0.690 0.563 0.934 0.656 CB 1.603 62 residues pruned to eliminate duplicates Z: 19 38.658 2.237 0.932 0.702 1.000 0.778 CA 1.754 19 residues pruned to eliminate duplicates Z: 6 5.878 2.025 -0.256 0.803 1.000 1.000 CB 1.339 6 residues pruned to eliminate duplicates Z: 37 31.291 2.199 0.490 0.612 0.833 0.611 CB 1.717 65 residues pruned to eliminate duplicates Z: 7 6.798 1.985 -0.171 0.718 1.000 0.833 CB 1.385 Z: 35 19.135 1.826 0.550 0.522 0.882 0.588 CB 1.286 35 residues pruned to eliminate duplicates Z: 10 7.113 1.907 0.801 0.625 0.889 0.889 CB 0.690 Z: 8 7.826 1.506 0.997 0.632 0.857 0.714 CB 1.014 Z: 13 18.876 2.044 0.618 0.842 0.917 0.750 CB 1.339 13 residues pruned to eliminate duplicates Z: 86 67.137 2.351 0.918 0.555 0.929 0.647 CB 1.647 86 residues pruned to eliminate duplicates Z: 16 14.096 2.163 0.360 0.374 1.000 0.733 CB 1.417 16 residues pruned to eliminate duplicates Z: 11 5.365 1.839 0.378 0.408 0.800 0.700 CB 0.922 12 residues pruned to eliminate duplicates Z: 33 32.333 2.142 0.805 0.519 0.906 0.562 CB 1.601 33 residues pruned to eliminate duplicates Z: 55 32.104 2.073 0.772 0.441 0.907 0.704 CB 1.392 55 residues pruned to eliminate duplicates Z: 8 7.825 1.664 0.545 0.545 1.000 0.714 CB 1.100 8 residues pruned to eliminate duplicates Z: 35 28.190 2.120 0.663 0.495 0.941 0.676 CB 1.465 35 residues pruned to eliminate duplicates Z: 16 31.657 1.981 1.164 0.901 0.933 0.533 CB 1.458 16 residues pruned to eliminate duplicates Z: 20 33.814 2.186 0.844 0.652 1.000 0.737 CA 1.670 20 residues pruned to eliminate duplicates Z: 51 28.584 2.041 0.580 0.471 0.940 0.680 CB 1.373 51 residues pruned to eliminate duplicates Z: 22 9.904 1.815 0.314 0.283 0.952 0.667 CB 1.216 22 residues pruned to eliminate duplicates Z: 9 20.326 2.342 0.805 0.747 0.875 0.625 CA 1.557 9 residues pruned to eliminate duplicates Z: 7 6.771 1.983 -0.083 0.598 1.000 0.500 CB 1.384 7 residues pruned to eliminate duplicates Z: 6 9.225 1.659 0.439 0.857 1.000 1.000 CB 1.273 6 residues pruned to eliminate duplicates Z: 28 41.889 2.432 0.962 0.648 0.852 0.593 CB 1.728 28 residues pruned to eliminate duplicates Z: 9 6.473 1.846 0.069 0.538 0.875 0.625 CB 1.277 Z: 7 3.156 1.668 -0.011 0.361 0.667 0.500 CB 1.360 Z: 14 25.270 2.134 1.206 0.925 0.846 0.385 CB 1.235 14 residues pruned to eliminate duplicates Z: 6 2.126 1.389 0.390 0.452 0.800 0.600 N 0.646 Z: 22 38.192 2.393 0.943 0.693 0.905 0.524 CB 1.662 22 residues pruned to eliminate duplicates Z: 31 35.022 2.224 1.091 0.596 0.867 0.367 CB 1.448 31 residues pruned to eliminate duplicates Z: 29 27.763 2.080 0.599 0.649 1.000 0.750 CB 1.373 29 residues pruned to eliminate duplicates Z: 34 18.170 2.067 0.778 0.344 0.848 0.485 CB 1.202 34 residues pruned to eliminate duplicates Z: 23 27.824 2.310 0.381 0.730 0.955 0.682 CB 1.585 23 residues pruned to eliminate duplicates Z: 29 14.740 1.972 0.463 0.270 0.929 0.536 CB 1.349 29 residues pruned to eliminate duplicates Z: 17 24.996 1.891 0.798 0.893 0.938 0.625 CA 1.407 17 residues pruned to eliminate duplicates Z: 15 20.457 1.821 0.721 0.891 1.000 0.571 CB 1.254 15 residues pruned to eliminate duplicates Z: 31 28.341 2.209 0.629 0.521 0.900 0.667 CB 1.565 31 residues pruned to eliminate duplicates Z: 16 16.632 2.078 0.847 0.270 0.933 0.467 CB 1.558 16 residues pruned to eliminate duplicates Z: 12 20.637 2.157 0.638 0.784 0.909 0.636 CA 1.509 12 residues pruned to eliminate duplicates Z: 7 4.445 1.654 0.604 0.378 0.667 0.667 CB 1.169 Z: 15 20.830 1.943 0.411 0.938 1.000 1.000 CB 1.412 15 residues pruned to eliminate duplicates Z: 40 19.672 1.904 0.422 0.496 0.897 0.667 CB 1.302 40 residues pruned to eliminate duplicates Z: 28 24.364 1.998 0.756 0.655 0.852 0.556 CB 1.358 28 residues pruned to eliminate duplicates Z: 10 5.237 1.521 0.933 0.337 0.778 0.444 CB 0.911 Z: 11 10.768 1.817 0.997 0.360 0.800 0.600 CB 1.363 11 residues pruned to eliminate duplicates Z: 12 9.514 1.852 0.020 0.552 1.000 0.727 CB 1.444 11 residues pruned to eliminate duplicates Z: 14 29.870 2.132 1.022 0.681 1.000 0.692 CB 1.627 14 residues pruned to eliminate duplicates Z: 18 24.309 2.044 0.607 0.817 0.941 0.941 CB 1.448 18 residues pruned to eliminate duplicates Z: 15 24.639 2.092 0.822 0.894 1.000 0.643 CB 1.239 15 residues pruned to eliminate duplicates Z: 7 7.199 1.709 0.624 0.554 0.833 0.500 CB 1.206 Z: 11 21.476 2.076 0.593 0.783 1.000 0.800 CA 1.600 11 residues pruned to eliminate duplicates Z: 29 26.513 2.179 0.536 0.580 0.929 0.643 CB 1.493 29 residues pruned to eliminate duplicates Z: 14 11.330 2.074 0.783 0.387 0.692 0.385 CA 1.384 14 residues pruned to eliminate duplicates Z: 60 41.959 2.278 0.860 0.506 0.831 0.593 CB 1.543 60 residues pruned to eliminate duplicates Z: 23 23.869 2.045 0.658 0.591 0.955 0.818 CB 1.440 23 residues pruned to eliminate duplicates Z: 17 22.942 1.964 0.440 0.873 1.000 1.000 CA 1.477 17 residues pruned to eliminate duplicates Z: 7 3.849 1.494 0.501 0.434 0.833 0.833 CB 0.900 Z: 34 22.891 2.022 0.594 0.427 0.909 0.667 CB 1.468 34 residues pruned to eliminate duplicates Z: 26 17.123 1.792 0.710 0.575 0.840 0.640 CB 1.238 26 residues pruned to eliminate duplicates Z: 6 5.075 1.622 0.565 0.731 0.600 0.600 CB 1.211 Z: 8 2.109 1.300 0.479 0.245 0.857 0.429 CA 0.649 Z: 9 17.728 1.886 0.824 0.798 1.000 0.750 CA 1.404 9 residues pruned to eliminate duplicates Z: 29 33.183 2.010 0.850 0.609 0.964 0.571 CB 1.578 25 residues pruned to eliminate duplicates Z: 24 13.485 2.019 0.533 0.343 0.870 0.522 CB 1.239 24 residues pruned to eliminate duplicates Z: 9 13.478 1.954 0.712 0.617 0.750 0.750 CA 1.701 14 residues pruned to eliminate duplicates Z: 8 3.305 1.508 -0.013 0.325 0.857 0.714 CA 1.186 Z: 16 12.584 2.035 0.542 0.405 0.867 0.533 CB 1.321 16 residues pruned to eliminate duplicates Z: 15 45.654 2.438 1.279 0.836 0.929 0.571 CB 1.771 15 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 29 31.351 2.055 0.747 0.597 0.964 0.679 CB 1.561 29 residues pruned to eliminate duplicates Z: 25 28.455 2.100 0.688 0.606 0.958 0.708 CA 1.547 25 residues pruned to eliminate duplicates Z: 31 29.833 2.002 0.753 0.604 0.900 0.667 CB 1.562 31 residues pruned to eliminate duplicates Z: 29 28.964 1.993 0.712 0.601 0.964 0.643 CA 1.511 27 residues pruned to eliminate duplicates Z: 17 27.321 2.165 0.682 0.785 1.000 0.875 CA 1.460 17 residues pruned to eliminate duplicates Z: 29 29.679 2.041 0.788 0.605 0.929 0.643 CA 1.498 30 residues pruned to eliminate duplicates Z: 14 26.773 2.119 0.707 0.926 1.000 0.692 CA 1.440 14 residues pruned to eliminate duplicates Z: 16 23.062 2.164 0.678 0.669 0.933 0.800 CA 1.503 16 residues pruned to eliminate duplicates Z: 28 26.374 2.036 0.769 0.574 0.889 0.704 CB 1.476 28 residues pruned to eliminate duplicates Z: 31 29.592 2.031 0.890 0.601 0.867 0.767 CA 1.475 31 residues pruned to eliminate duplicates Z: 17 17.749 2.081 0.419 0.442 1.000 0.875 CA 1.595 17 residues pruned to eliminate duplicates Z: 15 21.111 2.203 0.598 0.517 1.000 0.786 CA 1.577 15 residues pruned to eliminate duplicates Z: 15 21.525 2.210 0.523 0.509 1.000 0.714 CA 1.694 15 residues pruned to eliminate duplicates Z: 15 20.933 2.156 0.628 0.499 1.000 0.643 CA 1.596 16 residues pruned to eliminate duplicates Z: 6 5.214 1.817 0.482 0.397 0.800 0.600 CA 1.206 6 residues pruned to eliminate duplicates Z: 29 38.752 2.416 0.816 0.609 0.893 0.571 CA 1.686 29 residues pruned to eliminate duplicates Z: 29 47.326 2.483 0.848 0.598 0.964 0.500 CB 1.841 29 residues pruned to eliminate duplicates Z: 45 47.590 2.270 0.838 0.613 0.955 0.750 CA 1.618 66 residues pruned to eliminate duplicates Z: 14 37.129 2.539 0.837 0.932 0.923 0.846 CA 1.671 14 residues pruned to eliminate duplicates Z: 23 45.556 2.502 1.095 0.625 0.955 0.545 CB 1.726 23 residues pruned to eliminate duplicates Z: 30 44.641 2.474 0.943 0.612 0.862 0.552 CB 1.798 30 residues pruned to eliminate duplicates Z: 29 55.792 2.562 1.097 0.634 0.929 0.536 CB 1.864 29 residues pruned to eliminate duplicates Z: 15 44.924 2.574 1.021 0.898 0.929 0.786 CA 1.779 15 residues pruned to eliminate duplicates Z: 49 43.367 2.248 0.916 0.480 0.917 0.625 CB 1.619 49 residues pruned to eliminate duplicates Z: 28 56.492 2.523 1.153 0.647 0.963 0.593 CB 1.812 28 residues pruned to eliminate duplicates Z: 29 50.293 2.503 0.969 0.632 0.929 0.536 CB 1.835 29 residues pruned to eliminate duplicates Z: 29 48.773 2.481 1.026 0.638 0.893 0.429 CB 1.805 29 residues pruned to eliminate duplicates Z: 29 44.018 2.421 1.028 0.580 0.964 0.536 CB 1.627 29 residues pruned to eliminate duplicates Z: 43 39.306 2.212 0.919 0.550 0.833 0.595 CB 1.633 43 residues pruned to eliminate duplicates Z: 30 40.556 2.411 0.985 0.561 0.897 0.483 CB 1.655 30 residues pruned to eliminate duplicates Z: 28 55.282 2.515 1.178 0.647 0.963 0.519 CB 1.758 28 residues pruned to eliminate duplicates Z: 29 48.957 2.482 1.087 0.615 0.964 0.321 CB 1.662 29 residues pruned to eliminate duplicates Z: 29 49.076 2.480 1.046 0.629 0.929 0.536 CB 1.744 29 residues pruned to eliminate duplicates Z: 29 51.447 2.533 1.100 0.637 0.893 0.464 CB 1.800 29 residues pruned to eliminate duplicates Z: 28 50.217 2.517 1.164 0.629 0.889 0.519 CB 1.768 28 residues pruned to eliminate duplicates Z: 30 51.983 2.450 1.193 0.623 0.897 0.552 CB 1.783 30 residues pruned to eliminate duplicates Z: 29 48.316 2.481 1.047 0.604 0.929 0.571 CB 1.754 29 residues pruned to eliminate duplicates Z: 30 45.502 2.398 0.943 0.607 0.931 0.690 CA 1.758 30 residues pruned to eliminate duplicates Z: 29 55.270 2.461 1.185 0.620 0.929 0.429 CA 1.869 29 residues pruned to eliminate duplicates Z: 155 82.310 2.297 0.940 0.524 0.896 0.532 CB 1.622 155 residues pruned to eliminate duplicates Z: 33 50.684 2.370 1.012 0.597 0.969 0.625 CB 1.769 33 residues pruned to eliminate duplicates Z: 21 35.670 2.357 1.100 0.798 0.900 0.600 CB 1.379 21 residues pruned to eliminate duplicates Z: 114 62.064 2.293 0.885 0.483 0.894 0.593 CB 1.537 114 residues pruned to eliminate duplicates Z: 94 60.155 2.219 0.971 0.521 0.903 0.624 CB 1.547 94 residues pruned to eliminate duplicates Z: 147 71.729 2.242 0.807 0.511 0.911 0.610 CB 1.591 147 residues pruned to eliminate duplicates Z: 21 26.514 2.125 0.496 0.641 1.000 0.700 CA 1.634 21 residues pruned to eliminate duplicates Z: 27 33.653 2.096 0.799 0.657 0.962 0.692 CB 1.573 27 residues pruned to eliminate duplicates Z: 20 33.713 2.209 0.758 0.725 1.000 0.842 CA 1.626 20 residues pruned to eliminate duplicates Z: 20 33.536 2.193 0.777 0.660 1.000 0.789 CA 1.702 20 residues pruned to eliminate duplicates Z: 20 34.439 2.235 0.800 0.638 1.000 0.737 CA 1.726 19 residues pruned to eliminate duplicates Z: 6 5.599 1.731 0.725 0.244 0.800 0.400 O 1.409 6 residues pruned to eliminate duplicates Z: 19 38.060 2.241 0.940 0.739 1.000 0.889 CA 1.666 19 residues pruned to eliminate duplicates Z: 20 35.685 2.226 0.810 0.675 1.000 0.842 CA 1.730 20 residues pruned to eliminate duplicates Z: 8 7.042 1.988 0.496 0.398 0.714 0.429 CA 1.396 8 residues pruned to eliminate duplicates Z: 21 36.351 2.183 0.803 0.742 1.000 0.850 CB 1.664 21 residues pruned to eliminate duplicates Z: 7 7.053 1.695 0.978 0.331 1.000 0.500 N 1.033 7 residues pruned to eliminate duplicates Z: 19 37.544 2.229 0.961 0.661 1.000 0.833 CB 1.743 19 residues pruned to eliminate duplicates Z: 11 20.049 2.088 1.085 0.651 0.900 0.800 CA 1.405 11 residues pruned to eliminate duplicates Z: 19 35.348 2.206 0.887 0.640 1.000 0.722 CB 1.756 19 residues pruned to eliminate duplicates Z: 13 18.829 2.040 0.890 0.580 1.000 0.667 CB 1.306 13 residues pruned to eliminate duplicates Z: 19 35.270 2.220 0.837 0.663 1.000 0.778 CB 1.753 19 residues pruned to eliminate duplicates Z: 6 7.126 1.768 0.566 0.815 1.000 0.800 CA 0.875 7 residues pruned to eliminate duplicates Z: 10 20.041 1.970 1.063 0.841 0.889 0.556 CA 1.378 10 residues pruned to eliminate duplicates Z: 34 21.378 1.982 0.469 0.567 0.909 0.636 CB 1.318 34 residues pruned to eliminate duplicates Z: 18 18.209 2.001 0.776 0.493 0.824 0.529 CB 1.519 18 residues pruned to eliminate duplicates Z: 17 16.674 1.952 0.629 0.451 0.938 0.500 CA 1.469 17 residues pruned to eliminate duplicates Z: 55 24.206 1.951 0.476 0.480 0.852 0.593 CB 1.371 55 residues pruned to eliminate duplicates Z: 17 13.408 1.948 0.417 0.499 0.812 0.500 CB 1.496 17 residues pruned to eliminate duplicates Z: 19 13.752 1.915 0.432 0.464 0.833 0.444 CA 1.472 19 residues pruned to eliminate duplicates Z: 37 24.078 1.952 0.576 0.584 0.889 0.694 CB 1.354 37 residues pruned to eliminate duplicates Z: 17 16.466 2.017 0.631 0.505 0.875 0.312 CB 1.423 17 residues pruned to eliminate duplicates Z: 34 22.842 1.994 0.569 0.593 0.848 0.667 CB 1.370 34 residues pruned to eliminate duplicates Z: 36 25.405 1.984 0.528 0.647 0.943 0.714 CB 1.310 36 residues pruned to eliminate duplicates Z: 26 20.275 1.863 0.517 0.654 0.960 0.800 CB 1.296 26 residues pruned to eliminate duplicates Z: 96 37.035 2.012 0.573 0.485 0.926 0.642 CB 1.316 98 residues pruned to eliminate duplicates Z: 7 5.730 1.601 0.535 0.410 1.000 0.833 N 1.046 7 residues pruned to eliminate duplicates Z: 19 17.211 1.942 0.435 0.650 0.944 0.778 CB 1.340 19 residues pruned to eliminate duplicates Z: 37 22.759 1.942 0.540 0.541 0.917 0.750 CB 1.329 37 residues pruned to eliminate duplicates Z: 34 20.084 1.854 0.455 0.572 0.909 0.727 CB 1.329 34 residues pruned to eliminate duplicates Z: 30 22.055 1.915 0.468 0.607 0.931 0.724 CB 1.414 30 residues pruned to eliminate duplicates Z: 70 30.223 1.961 0.537 0.472 0.899 0.652 CB 1.382 70 residues pruned to eliminate duplicates Z: 30 18.534 1.927 0.418 0.519 0.931 0.621 CB 1.328 30 residues pruned to eliminate duplicates Z: 26 17.603 1.877 0.435 0.563 0.840 0.680 CB 1.463 26 residues pruned to eliminate duplicates Z: 19 22.414 1.965 0.727 0.653 0.944 0.778 CB 1.430 19 residues pruned to eliminate duplicates Z: 86 36.668 2.019 0.479 0.530 0.929 0.706 CB 1.391 86 residues pruned to eliminate duplicates Z: 40 23.191 1.912 0.561 0.512 0.923 0.667 CB 1.332 40 residues pruned to eliminate duplicates Z: 38 23.211 1.912 0.669 0.493 0.892 0.676 CB 1.350 38 residues pruned to eliminate duplicates Z: 35 22.373 1.837 0.560 0.568 0.912 0.676 CB 1.375 35 residues pruned to eliminate duplicates Z: 28 20.933 1.825 0.567 0.536 0.963 0.704 CB 1.413 28 residues pruned to eliminate duplicates Z: 41 23.297 1.885 0.668 0.520 0.875 0.650 CB 1.313 41 residues pruned to eliminate duplicates Z: 33 28.888 1.985 0.596 0.633 0.969 0.594 CB 1.469 33 residues pruned to eliminate duplicates Z: 37 21.978 1.902 0.613 0.513 0.889 0.667 CB 1.325 37 residues pruned to eliminate duplicates Z: 37 21.883 1.931 0.647 0.484 0.861 0.583 CB 1.354 37 residues pruned to eliminate duplicates Z: 31 23.530 1.774 0.663 0.579 0.933 0.600 CB 1.445 31 residues pruned to eliminate duplicates Z: 10 7.341 1.793 0.520 0.304 0.778 0.556 CB 1.435 10 residues pruned to eliminate duplicates Z: 43 22.124 1.877 0.547 0.511 0.905 0.619 CB 1.285 43 residues pruned to eliminate duplicates Z: 72 37.703 1.990 0.613 0.535 0.972 0.620 CB 1.386 72 residues pruned to eliminate duplicates Z: 39 27.304 1.923 0.698 0.547 0.974 0.658 CB 1.331 39 residues pruned to eliminate duplicates Z: 51 28.047 2.027 0.630 0.462 0.940 0.680 CB 1.328 51 residues pruned to eliminate duplicates Z: 72 30.068 2.009 0.568 0.431 0.915 0.592 CB 1.330 72 residues pruned to eliminate duplicates Z: 20 7.982 1.854 0.509 0.239 0.789 0.474 CB 1.122 20 residues pruned to eliminate duplicates Z: 45 21.284 1.798 0.833 0.462 0.818 0.455 CB 1.236 45 residues pruned to eliminate duplicates Z: 16 10.045 1.973 0.532 0.206 0.933 0.467 CB 1.301 16 residues pruned to eliminate duplicates Z: 51 24.281 2.024 0.531 0.436 0.900 0.660 CB 1.316 51 residues pruned to eliminate duplicates Z: 53 27.123 1.940 0.662 0.481 0.885 0.558 CB 1.345 53 residues pruned to eliminate duplicates Z: 37 23.254 1.893 0.753 0.512 0.917 0.528 CB 1.259 37 residues pruned to eliminate duplicates Z: 75 36.676 1.971 0.701 0.529 0.932 0.622 CB 1.326 75 residues pruned to eliminate duplicates Z: 51 26.682 2.045 0.490 0.437 0.960 0.680 CB 1.377 51 residues pruned to eliminate duplicates Z: 82 31.863 1.897 0.660 0.419 0.926 0.543 CB 1.322 100 residues pruned to eliminate duplicates Z: 19 19.727 1.879 0.798 0.676 0.833 0.500 CB 1.404 19 residues pruned to eliminate duplicates Z: 65 22.290 1.904 0.595 0.406 0.844 0.500 CB 1.200 54 residues pruned to eliminate duplicates Z: 6 5.224 1.809 0.282 0.459 1.000 0.600 CB 1.051 6 residues pruned to eliminate duplicates Z: 14 12.311 1.997 0.417 0.371 1.000 0.692 CB 1.385 14 residues pruned to eliminate duplicates Z: 34 26.756 2.076 0.568 0.552 1.000 0.667 CB 1.360 34 residues pruned to eliminate duplicates Z: 71 36.665 2.017 0.676 0.542 0.929 0.657 CB 1.340 71 residues pruned to eliminate duplicates Z: 89 37.674 2.003 0.712 0.530 0.909 0.682 CB 1.250 89 residues pruned to eliminate duplicates Z: 26 26.206 2.137 0.580 0.645 0.960 0.720 CB 1.412 26 residues pruned to eliminate duplicates Z: 44 30.338 2.110 0.624 0.566 0.930 0.581 CB 1.361 44 residues pruned to eliminate duplicates Z: 28 18.191 2.027 0.385 0.579 0.815 0.667 CB 1.418 28 residues pruned to eliminate duplicates Z: 51 22.603 1.983 0.513 0.414 0.920 0.620 CB 1.267 51 residues pruned to eliminate duplicates Z: 23 17.997 2.060 0.417 0.565 0.818 0.545 CA 1.508 23 residues pruned to eliminate duplicates Z: 27 20.683 2.081 0.504 0.628 0.846 0.500 CB 1.357 27 residues pruned to eliminate duplicates Z: 24 25.120 2.026 0.700 0.697 0.913 0.565 CB 1.392 24 residues pruned to eliminate duplicates Z: 28 26.545 2.087 0.757 0.582 0.926 0.556 CB 1.389 28 residues pruned to eliminate duplicates Z: 27 20.884 2.094 0.548 0.651 0.846 0.731 CB 1.297 27 residues pruned to eliminate duplicates Z: 26 24.709 2.084 0.615 0.639 0.920 0.680 CB 1.401 26 residues pruned to eliminate duplicates Z: 54 30.685 2.033 0.677 0.536 0.943 0.604 CB 1.265 54 residues pruned to eliminate duplicates Z: 26 27.662 2.122 0.748 0.661 0.920 0.480 CB 1.397 26 residues pruned to eliminate duplicates Z: 43 32.603 2.095 0.745 0.629 0.929 0.643 CB 1.313 43 residues pruned to eliminate duplicates Z: 71 39.257 1.984 0.803 0.564 0.914 0.543 CB 1.349 71 residues pruned to eliminate duplicates Z: 50 28.110 2.059 0.730 0.540 0.857 0.673 CB 1.265 50 residues pruned to eliminate duplicates Z: 26 27.053 2.145 0.703 0.647 0.880 0.600 CB 1.467 26 residues pruned to eliminate duplicates Z: 26 23.581 2.071 0.712 0.623 0.880 0.560 CB 1.345 26 residues pruned to eliminate duplicates Z: 26 26.098 2.133 0.593 0.631 0.960 0.640 CB 1.415 26 residues pruned to eliminate duplicates Z: 74 35.657 1.949 0.675 0.518 0.932 0.616 CB 1.348 74 residues pruned to eliminate duplicates Z: 26 30.520 2.117 0.708 0.677 1.000 0.600 CB 1.435 26 residues pruned to eliminate duplicates Z: 27 22.944 2.085 0.676 0.626 0.846 0.538 CB 1.351 27 residues pruned to eliminate duplicates Z: 27 20.686 2.054 0.681 0.585 0.846 0.500 CB 1.280 27 residues pruned to eliminate duplicates Z: 24 23.236 2.074 0.551 0.671 0.957 0.609 CB 1.345 24 residues pruned to eliminate duplicates Z: 46 33.942 2.092 0.760 0.582 0.978 0.489 CB 1.299 46 residues pruned to eliminate duplicates Z: 16 24.894 2.188 0.954 0.603 0.933 0.733 CB 1.461 16 residues pruned to eliminate duplicates Z: 20 21.631 2.113 0.817 0.462 0.947 0.579 CB 1.419 20 residues pruned to eliminate duplicates Z: 23 16.296 2.094 0.609 0.396 0.909 0.636 CB 1.265 23 residues pruned to eliminate duplicates Z: 19 23.487 2.120 0.748 0.494 1.000 0.667 CB 1.503 19 residues pruned to eliminate duplicates Z: 17 13.085 2.008 0.504 0.444 0.875 0.500 CB 1.311 17 residues pruned to eliminate duplicates Z: 19 20.064 2.028 0.652 0.487 0.944 0.722 CB 1.514 19 residues pruned to eliminate duplicates Z: 9 23.102 2.138 1.025 0.806 1.000 0.875 CB 1.444 9 residues pruned to eliminate duplicates Z: 13 15.565 1.981 0.637 0.577 0.917 0.500 CB 1.403 13 residues pruned to eliminate duplicates Z: 59 36.440 2.022 0.728 0.504 0.914 0.586 CB 1.493 59 residues pruned to eliminate duplicates Z: 16 22.621 2.221 0.953 0.503 0.867 0.733 CB 1.549 16 residues pruned to eliminate duplicates Z: 18 21.686 2.138 0.625 0.497 1.000 0.765 CB 1.519 18 residues pruned to eliminate duplicates Z: 15 15.942 2.156 0.620 0.326 0.929 0.429 CB 1.590 15 residues pruned to eliminate duplicates Z: 23 20.907 2.067 0.798 0.413 0.955 0.682 CB 1.375 23 residues pruned to eliminate duplicates Z: 24 15.818 2.067 0.703 0.386 0.870 0.609 CB 1.216 24 residues pruned to eliminate duplicates Z: 24 16.529 2.040 0.826 0.357 0.870 0.522 CB 1.242 24 residues pruned to eliminate duplicates Z: 25 15.998 2.010 0.635 0.347 0.875 0.542 CB 1.341 25 residues pruned to eliminate duplicates Z: 29 17.106 1.996 0.730 0.362 0.893 0.643 CB 1.217 29 residues pruned to eliminate duplicates Z: 28 16.464 2.020 0.617 0.361 0.926 0.519 CB 1.217 28 residues pruned to eliminate duplicates Z: 30 15.441 1.964 0.586 0.333 0.862 0.483 CB 1.282 30 residues pruned to eliminate duplicates Z: 29 16.178 1.966 0.784 0.397 0.786 0.500 CB 1.236 29 residues pruned to eliminate duplicates Z: 30 16.205 1.912 0.710 0.351 0.828 0.414 CB 1.307 30 residues pruned to eliminate duplicates Z: 30 14.763 1.922 0.739 0.389 0.759 0.448 CB 1.216 30 residues pruned to eliminate duplicates Z: 51 29.050 2.028 0.651 0.469 0.900 0.580 CB 1.407 51 residues pruned to eliminate duplicates Z: 35 35.492 2.088 0.728 0.573 0.971 0.618 CB 1.619 35 residues pruned to eliminate duplicates Z: 6 3.469 1.603 0.727 0.422 0.600 0.600 CB 1.013 6 residues pruned to eliminate duplicates Z: 6 5.251 1.397 0.558 0.465 1.000 1.000 O 1.118 6 residues pruned to eliminate duplicates Z: 7 4.878 1.483 0.640 0.476 0.833 0.667 CB 1.008 7 residues pruned to eliminate duplicates Z: 59 30.801 2.025 0.646 0.420 0.931 0.517 CB 1.416 59 residues pruned to eliminate duplicates Z: 36 35.014 2.030 0.796 0.572 0.943 0.571 CB 1.606 36 residues pruned to eliminate duplicates Z: 34 30.327 2.036 0.689 0.547 0.939 0.485 CB 1.560 34 residues pruned to eliminate duplicates Z: 36 31.975 2.040 0.754 0.529 0.943 0.629 CB 1.556 36 residues pruned to eliminate duplicates Z: 28 41.391 2.193 0.887 0.620 0.963 0.630 CB 1.784 28 residues pruned to eliminate duplicates Z: 38 35.389 2.059 0.830 0.570 0.946 0.568 CB 1.526 38 residues pruned to eliminate duplicates Z: 6 2.645 1.414 0.508 0.292 0.600 0.400 N 1.168 6 residues pruned to eliminate duplicates Z: 38 27.339 2.053 0.721 0.440 0.865 0.568 CB 1.566 38 residues pruned to eliminate duplicates Z: 31 36.137 2.099 0.703 0.636 1.000 0.700 CB 1.626 31 residues pruned to eliminate duplicates Z: 30 42.985 2.166 0.953 0.591 0.966 0.621 CB 1.792 35 residues pruned to eliminate duplicates Z: 13 25.804 2.122 0.882 0.637 1.000 0.500 CB 1.641 13 residues pruned to eliminate duplicates Z: 28 33.794 2.195 0.658 0.576 0.963 0.630 CB 1.726 28 residues pruned to eliminate duplicates Z: 29 38.641 2.223 0.732 0.621 1.000 0.786 CB 1.691 29 residues pruned to eliminate duplicates Z: 29 45.056 2.225 0.980 0.577 0.964 0.536 CB 1.862 29 residues pruned to eliminate duplicates Z: 29 39.035 2.155 0.925 0.561 0.964 0.607 CB 1.738 29 residues pruned to eliminate duplicates Z: 36 37.467 2.101 0.845 0.576 0.943 0.657 CB 1.611 36 residues pruned to eliminate duplicates Z: 29 40.690 2.147 0.918 0.578 1.000 0.607 CB 1.732 29 residues pruned to eliminate duplicates Z: 36 32.676 2.023 0.676 0.513 0.971 0.600 CB 1.656 36 residues pruned to eliminate duplicates Z: 29 40.905 2.182 0.864 0.616 1.000 0.750 CA 1.702 29 residues pruned to eliminate duplicates Z: 28 45.066 2.284 0.849 0.632 1.000 0.630 CB 1.815 28 residues pruned to eliminate duplicates Z: 29 39.336 2.199 0.835 0.612 0.964 0.714 CA 1.718 29 residues pruned to eliminate duplicates Z: 35 37.045 2.104 0.814 0.578 0.941 0.647 CB 1.640 35 residues pruned to eliminate duplicates Z: 28 43.713 2.252 0.810 0.646 1.000 0.667 CA 1.800 28 residues pruned to eliminate duplicates Z: 57 48.104 2.201 0.716 0.590 0.982 0.607 CB 1.590 57 residues pruned to eliminate duplicates Z: 29 42.215 2.180 0.888 0.597 1.000 0.607 CA 1.766 29 residues pruned to eliminate duplicates Z: 28 45.561 2.235 0.881 0.627 1.000 0.630 CA 1.850 28 residues pruned to eliminate duplicates Z: 31 38.195 2.159 0.767 0.621 0.967 0.667 CB 1.688 31 residues pruned to eliminate duplicates Z: 28 46.110 2.217 0.911 0.656 1.000 0.667 CA 1.811 28 residues pruned to eliminate duplicates Z: 96 67.559 2.205 0.932 0.576 0.937 0.684 CB 1.613 277 residues pruned to eliminate duplicates Z: 32 39.684 2.171 0.881 0.584 0.935 0.613 CA 1.721 Z: 6 3.814 1.739 0.631 0.340 1.000 0.400 CA 0.716 Z: 6 4.679 1.472 0.804 0.290 1.000 0.600 CB 0.998 Z: 10 9.650 1.435 1.046 0.540 1.000 0.556 O 1.054 Z: 6 8.502 1.651 0.741 0.423 1.000 0.400 CB 1.434 Z: 6 7.504 1.904 0.723 0.465 1.000 0.600 CA 1.060 6 1.334 1.439 0.587 0.229 0.800 0.600 CB 0.448 ? Z: 7 6.678 1.683 0.518 0.391 1.000 0.667 CA 1.198 7 residues pruned to eliminate duplicates Z: 34 50.686 2.298 1.009 0.576 0.970 0.636 CB 1.832 34 residues pruned to eliminate duplicates Z: 38 52.838 2.354 0.973 0.598 0.946 0.649 CB 1.801 38 residues pruned to eliminate duplicates Z: 39 50.490 2.318 1.001 0.543 0.974 0.605 CB 1.739 39 residues pruned to eliminate duplicates Z: 31 46.191 2.410 0.866 0.572 0.967 0.600 CB 1.809 31 residues pruned to eliminate duplicates Z: 62 52.230 2.310 1.112 0.486 0.902 0.607 CB 1.542 62 residues pruned to eliminate duplicates Z: 31 50.554 2.388 1.061 0.527 1.000 0.500 CB 1.826 31 residues pruned to eliminate duplicates Z: 31 46.556 2.380 1.032 0.536 0.900 0.533 CA 1.885 31 residues pruned to eliminate duplicates Z: 32 47.211 2.378 1.038 0.550 0.935 0.581 CB 1.782 32 residues pruned to eliminate duplicates Z: 32 45.979 2.367 0.942 0.587 0.968 0.452 CB 1.709 32 residues pruned to eliminate duplicates Z: 40 46.538 2.315 0.968 0.530 0.897 0.615 CB 1.769 40 residues pruned to eliminate duplicates Z: 62 58.740 2.348 0.976 0.563 0.885 0.508 CB 1.724 62 residues pruned to eliminate duplicates Z: 30 42.757 2.366 0.845 0.513 0.966 0.552 CB 1.860 30 residues pruned to eliminate duplicates Z: 37 41.574 2.211 0.932 0.549 0.917 0.611 CB 1.688 37 residues pruned to eliminate duplicates Z: 40 55.592 2.349 1.041 0.620 0.949 0.692 CB 1.747 40 residues pruned to eliminate duplicates Z: 30 54.260 2.400 1.068 0.579 1.000 0.724 CB 1.882 30 residues pruned to eliminate duplicates Z: 30 52.199 2.404 1.184 0.549 0.966 0.655 CB 1.823 30 residues pruned to eliminate duplicates Z: 31 57.282 2.405 1.221 0.577 1.000 0.667 CB 1.819 31 residues pruned to eliminate duplicates Z: 45 50.664 2.312 0.995 0.544 0.955 0.591 CB 1.661 45 residues pruned to eliminate duplicates Z: 64 56.706 2.308 1.228 0.475 0.905 0.683 CB 1.576 64 residues pruned to eliminate duplicates Z: 33 48.173 2.367 0.956 0.567 0.969 0.625 CB 1.780 33 residues pruned to eliminate duplicates Z: 44 51.816 2.324 1.031 0.547 0.953 0.744 CB 1.676 44 residues pruned to eliminate duplicates Z: 64 56.643 2.312 1.094 0.440 0.968 0.587 CB 1.620 64 residues pruned to eliminate duplicates Z: 60 55.418 2.265 0.873 0.541 0.949 0.661 CB 1.721 94 residues pruned to eliminate duplicates Z: 31 56.615 2.419 1.120 0.588 1.000 0.533 CA 1.853 31 residues pruned to eliminate duplicates Z: 31 54.789 2.405 1.106 0.599 0.967 0.800 CB 1.860 31 residues pruned to eliminate duplicates Z: 12 5.267 1.765 0.309 0.274 0.636 0.455 CB 1.394 8 residues pruned to eliminate duplicates Z: 7 5.336 1.351 0.664 0.432 1.000 0.667 O 1.040 5 residues pruned to eliminate duplicates Z: 7 4.284 1.557 0.660 0.347 0.833 0.500 CA 0.958 7 residues pruned to eliminate duplicates Z: 53 39.218 2.150 0.859 0.433 0.942 0.635 CB 1.548 53 residues pruned to eliminate duplicates Z: 148 71.630 2.264 0.855 0.492 0.898 0.571 CB 1.579 148 residues pruned to eliminate duplicates Z: 51 38.246 2.094 0.944 0.479 0.960 0.540 CB 1.413 51 residues pruned to eliminate duplicates Z: 74 52.297 2.210 0.834 0.548 0.945 0.603 CB 1.525 74 residues pruned to eliminate duplicates Z: 28 29.934 1.984 0.927 0.632 0.926 0.519 CB 1.437 28 residues pruned to eliminate duplicates Z: 75 54.798 2.246 0.994 0.515 0.919 0.649 CB 1.526 75 residues pruned to eliminate duplicates Z: 97 56.855 2.235 0.838 0.501 0.927 0.635 CB 1.522 97 residues pruned to eliminate duplicates Z: 24 31.276 2.002 0.928 0.642 1.000 0.478 CB 1.480 24 residues pruned to eliminate duplicates Z: 105 58.383 2.243 0.935 0.470 0.904 0.625 CB 1.505 105 residues pruned to eliminate duplicates Z: 92 60.054 2.264 0.873 0.530 0.923 0.615 CB 1.561 92 residues pruned to eliminate duplicates Z: 54 43.337 2.167 0.999 0.460 0.925 0.509 CB 1.547 54 residues pruned to eliminate duplicates Z: 52 41.059 2.172 1.053 0.451 0.902 0.588 CB 1.503 52 residues pruned to eliminate duplicates Z: 52 37.201 2.138 0.851 0.465 0.922 0.667 CB 1.480 52 residues pruned to eliminate duplicates Z: 139 73.181 2.233 0.869 0.509 0.942 0.594 CB 1.571 139 residues pruned to eliminate duplicates Z: 32 24.661 2.143 1.024 0.258 0.871 0.548 CB 1.547 32 residues pruned to eliminate duplicates Z: 79 35.797 2.041 0.928 0.434 0.846 0.577 CB 1.304 79 residues pruned to eliminate duplicates Z: 30 24.337 2.202 1.101 0.256 0.931 0.517 CB 1.388 30 residues pruned to eliminate duplicates Z: 28 17.926 2.240 0.913 0.268 0.741 0.519 CB 1.415 28 residues pruned to eliminate duplicates Z: 104 58.376 2.242 0.943 0.498 0.874 0.621 CB 1.514 104 residues pruned to eliminate duplicates Z: 30 40.449 2.063 1.069 0.629 1.000 0.828 CB 1.558 30 residues pruned to eliminate duplicates Z: 55 38.458 2.279 0.800 0.500 0.852 0.611 CB 1.498 55 residues pruned to eliminate duplicates Z: 89 63.334 2.362 0.840 0.551 0.909 0.659 CB 1.626 89 residues pruned to eliminate duplicates Z: 89 64.694 2.332 0.937 0.552 0.909 0.625 CB 1.596 89 residues pruned to eliminate duplicates Z: 42 46.437 2.344 0.907 0.609 0.902 0.634 CA 1.621 42 residues pruned to eliminate duplicates Z: 61 44.716 2.298 0.862 0.503 0.867 0.650 CB 1.553 61 residues pruned to eliminate duplicates Z: 42 43.351 2.371 0.843 0.611 0.878 0.561 CB 1.588 42 residues pruned to eliminate duplicates Z: 86 59.552 2.301 0.895 0.534 0.894 0.635 CB 1.603 86 residues pruned to eliminate duplicates Z: 59 46.275 2.276 0.985 0.504 0.879 0.552 CB 1.524 59 residues pruned to eliminate duplicates Z: 25 44.006 2.503 0.929 0.667 0.917 0.792 CA 1.738 25 residues pruned to eliminate duplicates Z: 42 49.362 2.346 0.879 0.617 0.976 0.610 CB 1.605 42 residues pruned to eliminate duplicates Z: 117 64.991 2.292 0.897 0.473 0.922 0.569 CB 1.546 117 residues pruned to eliminate duplicates Z: 84 57.702 2.353 0.970 0.509 0.855 0.470 CB 1.584 84 residues pruned to eliminate duplicates Z: 89 76.455 2.388 1.055 0.543 0.932 0.602 CB 1.708 89 residues pruned to eliminate duplicates Z: 57 48.107 2.343 0.968 0.505 0.875 0.607 CB 1.585 57 residues pruned to eliminate duplicates Z: 37 47.365 2.438 0.964 0.630 0.861 0.694 CB 1.695 37 residues pruned to eliminate duplicates Z: 49 51.061 2.373 0.832 0.621 0.958 0.667 CB 1.577 49 residues pruned to eliminate duplicates Z: 135 77.084 2.270 0.920 0.530 0.918 0.634 CB 1.615 135 residues pruned to eliminate duplicates Z: 53 41.883 2.334 0.924 0.504 0.865 0.615 CB 1.489 53 residues pruned to eliminate duplicates Z: 43 48.549 2.333 0.851 0.640 0.929 0.643 CB 1.639 43 residues pruned to eliminate duplicates Z: 90 67.660 2.356 0.974 0.544 0.910 0.607 CB 1.623 90 residues pruned to eliminate duplicates 268 residues left after pruning, divided into chains as follows: A: 6 B: 10 C: 6 D: 6 E: 9 F: 10 G: 8 H: 26 I: 144 J: 7 K: 30 L: 6 CC for partial structure against native data = 27.02 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.596, Connect. = 0.684 for dens.mod. cycle 1 = 0.300, Contrast = 0.706, Connect. = 0.725 for dens.mod. cycle 2 = 0.300, Contrast = 0.838, Connect. = 0.765 for dens.mod. cycle 3 = 0.300, Contrast = 0.864, Connect. = 0.771 for dens.mod. cycle 4 = 0.300, Contrast = 0.886, Connect. = 0.776 for dens.mod. cycle 5 = 0.300, Contrast = 0.895, Connect. = 0.779 for dens.mod. cycle 6 = 0.300, Contrast = 0.904, Connect. = 0.781 for dens.mod. cycle 7 = 0.300, Contrast = 0.906, Connect. = 0.783 for dens.mod. cycle 8 = 0.300, Contrast = 0.909, Connect. = 0.784 for dens.mod. cycle 9 = 0.300, Contrast = 0.909, Connect. = 0.785 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2158 peaks > 0.5 sigma used to seed fragment search Space for about 710 unique residues taking solvent into account 458 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 44.560 2.706 0.734 0.936 1.000 0.917 CA 1.909 B: 15 45.959 2.539 0.965 0.887 1.000 0.643 CB 1.775 14 residues pruned to eliminate duplicates C: 15 24.407 2.513 0.341 0.880 0.857 0.786 CA 1.635 15 residues pruned to eliminate duplicates D: 13 40.581 2.701 0.519 0.926 1.000 0.833 CA 2.002 13 residues pruned to eliminate duplicates E: 15 34.784 2.503 0.498 0.938 1.000 0.786 CA 1.725 14 residues pruned to eliminate duplicates F: 7 4.540 1.843 0.733 0.601 0.500 0.500 CA 1.055 G: 17 39.116 2.432 0.921 0.918 0.938 0.688 CB 1.575 H: 104 66.869 2.325 0.959 0.521 0.893 0.544 CB 1.587 24 residues pruned to eliminate duplicates I: 20 37.310 2.271 0.825 0.901 0.895 0.789 CB 1.647 20 residues pruned to eliminate duplicates J: 15 44.096 2.547 1.100 0.887 0.929 0.786 CA 1.712 15 residues pruned to eliminate duplicates K: 11 15.260 2.044 0.620 0.611 0.900 0.600 CB 1.457 L: 15 25.305 2.034 0.953 0.678 0.929 0.786 CB 1.557 11 residues pruned to eliminate duplicates M: 16 43.478 2.478 1.135 0.941 0.933 0.533 CB 1.578 16 residues pruned to eliminate duplicates N: 19 26.441 2.375 0.898 0.462 0.778 0.667 CB 1.847 19 residues pruned to eliminate duplicates O: 16 36.607 2.450 0.813 0.932 0.867 0.800 CB 1.715 16 residues pruned to eliminate duplicates P: 67 46.512 2.352 0.825 0.493 0.864 0.591 CB 1.555 65 residues pruned to eliminate duplicates Q: 16 43.045 2.525 0.826 0.924 0.933 0.800 CB 1.814 16 residues pruned to eliminate duplicates R: 15 44.771 2.498 1.191 0.923 0.929 0.429 CB 1.655 14 residues pruned to eliminate duplicates S: 52 48.968 2.423 1.033 0.511 0.882 0.608 CB 1.560 55 residues pruned to eliminate duplicates T: 65 55.390 2.373 0.997 0.457 0.922 0.609 CB 1.656 32 residues pruned to eliminate duplicates U: 17 42.959 2.414 1.061 0.892 0.938 0.375 CB 1.655 17 residues pruned to eliminate duplicates V: 28 25.100 2.239 0.823 0.414 0.815 0.556 CB 1.589 28 residues pruned to eliminate duplicates W: 14 57.500 2.725 1.238 0.932 0.923 0.308 CB 1.978 15 residues pruned to eliminate duplicates X: 37 38.535 2.125 0.802 0.561 0.917 0.528 CB 1.724 Y: 104 67.309 2.357 0.844 0.495 0.951 0.592 CB 1.611 104 residues pruned to eliminate duplicates Z: 15 56.722 2.604 1.096 0.932 1.000 0.714 CA 1.940 15 residues pruned to eliminate duplicates Z: 16 41.407 2.394 1.018 0.903 0.933 0.400 CA 1.690 16 residues pruned to eliminate duplicates Z: 16 37.225 2.452 0.764 0.897 0.933 0.800 CA 1.704 16 residues pruned to eliminate duplicates Z: 16 30.532 2.327 0.581 0.912 0.933 0.867 CA 1.626 16 residues pruned to eliminate duplicates Z: 92 71.457 2.349 1.046 0.535 0.901 0.615 CB 1.672 92 residues pruned to eliminate duplicates Z: 19 35.786 2.136 1.236 0.715 0.944 0.778 CA 1.538 14 residues pruned to eliminate duplicates Z: 29 47.091 2.479 1.002 0.617 0.893 0.500 CA 1.798 15 residues pruned to eliminate duplicates Z: 14 23.092 2.118 0.653 0.902 1.000 0.769 CB 1.305 Z: 39 45.030 2.363 0.954 0.500 0.868 0.579 CB 1.821 39 residues pruned to eliminate duplicates Z: 55 41.081 2.404 0.707 0.470 0.889 0.574 CB 1.579 55 residues pruned to eliminate duplicates Z: 13 18.860 2.114 0.439 0.766 1.000 0.750 CB 1.414 13 residues pruned to eliminate duplicates Z: 15 17.738 1.981 0.411 0.900 0.929 0.857 CA 1.304 15 residues pruned to eliminate duplicates Z: 14 22.600 2.101 0.652 0.896 1.000 0.846 CA 1.294 14 residues pruned to eliminate duplicates Z: 77 59.535 2.369 0.835 0.486 0.908 0.579 CB 1.753 84 residues pruned to eliminate duplicates Z: 14 28.646 2.127 0.709 0.806 1.000 0.769 CA 1.673 14 residues pruned to eliminate duplicates Z: 32 38.771 2.359 0.788 0.519 0.903 0.613 CB 1.793 32 residues pruned to eliminate duplicates Z: 17 22.826 2.377 0.400 0.854 0.875 0.812 CB 1.447 17 residues pruned to eliminate duplicates Z: 29 44.862 2.231 0.958 0.594 1.000 0.643 CB 1.774 37 residues pruned to eliminate duplicates Z: 94 58.019 2.378 0.768 0.508 0.860 0.591 CB 1.651 94 residues pruned to eliminate duplicates Z: 17 33.774 2.358 0.611 0.894 1.000 0.875 CB 1.594 17 residues pruned to eliminate duplicates Z: 13 29.139 2.182 0.919 0.896 1.000 0.750 CB 1.439 14 residues pruned to eliminate duplicates Z: 16 29.072 2.465 0.455 0.896 0.933 0.800 CB 1.607 16 residues pruned to eliminate duplicates Z: 16 26.719 2.418 0.169 0.924 1.000 0.867 CB 1.714 16 residues pruned to eliminate duplicates Z: 29 45.588 2.425 0.961 0.597 0.893 0.500 CB 1.849 29 residues pruned to eliminate duplicates Z: 13 23.230 2.079 1.050 0.681 1.000 0.833 CB 1.332 13 residues pruned to eliminate duplicates Z: 9 26.914 2.145 0.943 0.907 1.000 0.875 CB 1.622 Z: 7 10.155 2.064 0.468 0.774 0.833 0.833 CB 1.288 7 residues pruned to eliminate duplicates Z: 30 42.722 2.213 1.020 0.602 0.966 0.690 CB 1.667 30 residues pruned to eliminate duplicates Z: 16 50.847 2.455 1.163 0.930 1.000 0.600 CA 1.729 16 residues pruned to eliminate duplicates Z: 12 25.138 2.136 0.861 0.809 1.000 0.818 CB 1.457 12 residues pruned to eliminate duplicates Z: 14 30.195 2.142 0.763 0.806 1.000 0.615 CA 1.698 14 residues pruned to eliminate duplicates Z: 44 40.029 2.141 0.976 0.519 0.907 0.488 CB 1.561 43 residues pruned to eliminate duplicates Z: 77 50.096 2.359 0.821 0.443 0.868 0.539 CB 1.633 77 residues pruned to eliminate duplicates Z: 14 24.649 2.137 0.602 0.917 1.000 0.923 CA 1.409 14 residues pruned to eliminate duplicates Z: 15 27.687 2.062 0.688 0.826 1.000 0.714 CA 1.603 15 residues pruned to eliminate duplicates Z: 94 72.500 2.432 0.846 0.519 0.935 0.634 CB 1.756 94 residues pruned to eliminate duplicates Z: 62 49.434 2.331 0.860 0.465 0.902 0.656 CB 1.677 62 residues pruned to eliminate duplicates Z: 17 21.406 1.942 0.496 0.913 1.000 0.938 CA 1.304 17 residues pruned to eliminate duplicates Z: 14 25.874 2.212 0.575 0.743 1.000 0.538 CA 1.657 14 residues pruned to eliminate duplicates Z: 7 10.366 1.770 1.067 0.799 0.833 0.667 CB 1.068 7 residues pruned to eliminate duplicates Z: 9 20.618 2.121 0.866 0.716 1.000 0.625 CA 1.514 9 residues pruned to eliminate duplicates Z: 50 50.346 2.395 0.945 0.505 0.918 0.653 CB 1.672 50 residues pruned to eliminate duplicates Z: 28 21.636 2.006 0.274 0.600 0.963 0.778 CB 1.539 28 residues pruned to eliminate duplicates Z: 29 39.109 2.199 0.864 0.601 1.000 0.571 CB 1.638 29 residues pruned to eliminate duplicates Z: 17 26.636 2.342 0.405 0.889 0.938 0.938 CB 1.555 17 residues pruned to eliminate duplicates Z: 12 25.395 2.150 0.862 0.768 1.000 0.636 CA 1.509 12 residues pruned to eliminate duplicates Z: 13 46.387 2.742 0.739 0.927 1.000 0.583 CB 1.967 13 residues pruned to eliminate duplicates Z: 14 25.635 2.143 0.543 0.778 1.000 0.615 CA 1.683 14 residues pruned to eliminate duplicates Z: 27 29.186 2.116 0.843 0.477 0.923 0.500 CB 1.628 27 residues pruned to eliminate duplicates Z: 8 22.127 2.270 0.846 0.884 0.857 0.714 CB 1.683 8 residues pruned to eliminate duplicates Z: 6 3.491 1.578 0.227 0.765 0.600 0.400 CA 1.063 6 residues pruned to eliminate duplicates Z: 29 45.516 2.222 0.877 0.683 1.000 0.750 CB 1.744 29 residues pruned to eliminate duplicates Z: 9 16.452 2.044 0.455 0.861 0.875 0.625 CA 1.642 8 residues pruned to eliminate duplicates Z: 10 14.215 1.739 0.836 0.836 0.889 0.667 CA 1.250 Z: 15 20.645 1.991 0.448 0.927 1.000 0.857 CA 1.341 15 residues pruned to eliminate duplicates Z: 31 34.151 2.130 0.777 0.565 0.933 0.633 CB 1.658 31 residues pruned to eliminate duplicates Z: 6 13.474 1.917 0.866 0.743 1.000 1.000 N 1.356 Z: 29 37.456 2.211 0.732 0.616 0.964 0.714 CB 1.718 29 residues pruned to eliminate duplicates Z: 94 66.491 2.410 0.787 0.512 0.914 0.581 CB 1.730 94 residues pruned to eliminate duplicates Z: 14 25.802 2.052 0.743 0.894 1.000 0.692 CB 1.435 13 residues pruned to eliminate duplicates Z: 29 25.571 2.009 0.728 0.645 0.893 0.500 CB 1.361 14 residues pruned to eliminate duplicates Z: 46 38.563 2.137 0.964 0.499 0.911 0.622 CB 1.504 46 residues pruned to eliminate duplicates Z: 84 66.010 2.436 0.943 0.518 0.892 0.602 CB 1.685 84 residues pruned to eliminate duplicates Z: 20 34.363 2.132 0.889 0.717 1.000 0.947 CB 1.609 20 residues pruned to eliminate duplicates Z: 18 29.236 2.332 0.378 0.876 1.000 0.765 CB 1.603 18 residues pruned to eliminate duplicates Z: 16 31.925 2.402 0.629 0.883 0.933 0.867 CA 1.633 16 residues pruned to eliminate duplicates Z: 13 29.222 2.241 0.720 0.779 1.000 0.417 CA 1.712 13 residues pruned to eliminate duplicates Z: 31 54.188 2.438 1.105 0.560 0.967 0.633 CA 1.882 46 residues pruned to eliminate duplicates Z: 12 23.668 2.098 1.098 0.849 1.000 0.818 CB 1.202 Z: 87 69.787 2.453 0.927 0.518 0.895 0.535 CB 1.747 87 residues pruned to eliminate duplicates Z: 30 39.765 2.169 0.804 0.614 0.931 0.586 CB 1.819 30 residues pruned to eliminate duplicates Z: 31 23.692 1.954 0.598 0.620 0.967 0.800 CB 1.280 Z: 26 43.748 2.458 0.907 0.586 0.960 0.640 CA 1.791 26 residues pruned to eliminate duplicates Z: 98 58.921 2.328 0.727 0.504 0.918 0.608 CB 1.615 98 residues pruned to eliminate duplicates Z: 29 39.728 2.186 0.806 0.660 1.000 0.714 CB 1.639 29 residues pruned to eliminate duplicates Z: 27 24.818 2.277 0.858 0.288 0.923 0.615 CB 1.581 27 residues pruned to eliminate duplicates Z: 7 6.940 1.905 0.396 0.342 0.833 0.500 CB 1.518 Z: 8 23.837 2.243 0.841 0.888 1.000 1.000 CB 1.572 8 residues pruned to eliminate duplicates Z: 64 53.794 2.398 0.945 0.424 0.905 0.524 CB 1.738 64 residues pruned to eliminate duplicates Z: 33 31.629 2.085 0.653 0.599 0.938 0.750 CB 1.575 33 residues pruned to eliminate duplicates Z: 11 6.278 1.765 0.970 0.399 0.600 0.500 CB 1.058 Z: 6 6.138 1.842 0.438 0.336 0.800 0.600 O 1.550 6 residues pruned to eliminate duplicates Z: 38 17.751 2.186 0.596 0.298 0.784 0.486 CB 1.338 38 residues pruned to eliminate duplicates Z: 10 13.168 1.831 0.758 0.561 0.889 0.778 CB 1.446 10 residues pruned to eliminate duplicates Z: 6 11.144 1.506 0.928 0.810 1.000 0.800 CA 1.310 6 residues pruned to eliminate duplicates Z: 13 15.372 1.882 0.676 0.649 0.917 0.833 CB 1.336 Z: 8 18.255 2.039 0.565 0.868 1.000 1.000 CA 1.581 8 residues pruned to eliminate duplicates Z: 17 30.553 2.031 0.783 0.918 1.000 0.875 CA 1.488 17 residues pruned to eliminate duplicates Z: 19 32.011 2.073 1.012 0.670 1.000 0.778 CB 1.546 12 residues pruned to eliminate duplicates Z: 8 4.022 1.732 0.373 0.448 0.857 0.571 O 0.788 8 residues pruned to eliminate duplicates Z: 14 24.298 2.048 0.639 0.804 0.923 0.462 CA 1.668 14 residues pruned to eliminate duplicates Z: 42 52.864 2.286 0.987 0.551 1.000 0.634 CA 1.730 42 residues pruned to eliminate duplicates Z: 15 27.099 2.010 0.792 0.925 1.000 0.929 CA 1.410 15 residues pruned to eliminate duplicates Z: 14 19.696 2.012 0.911 0.689 1.000 0.692 CB 1.195 Z: 10 15.892 2.121 0.773 0.790 0.889 0.444 CB 1.228 10 residues pruned to eliminate duplicates Z: 7 12.731 1.947 0.534 0.888 0.833 0.667 CA 1.505 7 residues pruned to eliminate duplicates Z: 7 3.222 1.616 0.443 0.392 0.833 0.500 CB 0.759 7 residues pruned to eliminate duplicates Z: 72 47.858 2.301 0.917 0.407 0.873 0.592 CB 1.626 72 residues pruned to eliminate duplicates Z: 9 11.264 2.126 0.317 0.425 0.875 0.625 CB 1.757 9 residues pruned to eliminate duplicates Z: 41 48.789 2.278 0.846 0.594 0.975 0.725 CA 1.720 41 residues pruned to eliminate duplicates Z: 9 10.626 1.882 1.112 0.475 0.750 0.625 CB 1.293 9 residues pruned to eliminate duplicates Z: 24 14.061 1.812 0.716 0.422 0.913 0.739 CB 1.120 23 residues pruned to eliminate duplicates Z: 12 18.145 2.147 0.524 0.798 0.909 0.727 CB 1.417 12 residues pruned to eliminate duplicates Z: 38 49.271 2.345 1.037 0.529 0.919 0.649 CB 1.793 38 residues pruned to eliminate duplicates Z: 20 29.283 2.068 0.774 0.712 1.000 0.895 CB 1.512 20 residues pruned to eliminate duplicates Z: 30 31.747 2.109 0.780 0.561 0.931 0.655 CB 1.589 30 residues pruned to eliminate duplicates Z: 62 53.843 2.424 0.875 0.533 0.902 0.607 CB 1.629 62 residues pruned to eliminate duplicates Z: 29 31.489 2.074 0.909 0.554 0.929 0.607 CB 1.536 29 residues pruned to eliminate duplicates Z: 17 26.328 1.975 0.791 0.903 0.938 0.750 CA 1.415 17 residues pruned to eliminate duplicates Z: 11 25.211 2.163 1.102 0.647 1.000 0.800 CA 1.528 11 residues pruned to eliminate duplicates Z: 17 22.971 1.973 0.644 0.877 0.938 0.688 CA 1.371 17 residues pruned to eliminate duplicates Z: 19 31.747 2.243 0.711 0.849 0.889 0.722 CB 1.627 19 residues pruned to eliminate duplicates Z: 13 3.425 1.836 0.022 0.191 0.667 0.417 CA 1.144 13 residues pruned to eliminate duplicates Z: 10 6.248 1.876 -0.095 0.603 0.889 0.778 CB 1.251 Z: 12 20.216 2.139 0.487 0.787 1.000 0.818 CB 1.489 12 residues pruned to eliminate duplicates Z: 15 16.488 1.920 0.684 0.747 0.857 0.571 CB 1.275 15 residues pruned to eliminate duplicates Z: 9 5.634 1.746 0.560 0.525 0.875 0.625 CB 0.815 Z: 8 3.988 2.054 -0.260 0.427 0.714 0.429 CB 1.497 Z: 9 17.120 1.920 0.722 0.897 1.000 0.625 CB 1.311 9 residues pruned to eliminate duplicates Z: 26 23.235 2.314 0.966 0.294 0.840 0.600 CB 1.531 26 residues pruned to eliminate duplicates Z: 10 20.621 2.212 0.482 0.927 1.000 0.889 CA 1.469 10 residues pruned to eliminate duplicates Z: 14 26.132 2.093 0.608 0.939 1.000 0.846 CB 1.497 14 residues pruned to eliminate duplicates Z: 32 25.348 2.316 0.855 0.335 0.839 0.452 CB 1.512 32 residues pruned to eliminate duplicates Z: 85 47.328 2.221 0.760 0.423 0.905 0.595 CB 1.581 72 residues pruned to eliminate duplicates Z: 11 15.688 2.189 0.492 0.748 0.900 0.600 CB 1.352 11 residues pruned to eliminate duplicates Z: 37 51.847 2.356 0.891 0.601 0.944 0.778 CB 1.865 37 residues pruned to eliminate duplicates Z: 6 10.567 1.834 0.431 0.725 1.000 0.800 CB 1.469 Z: 7 6.882 1.681 0.561 0.572 0.833 0.667 CA 1.199 7 residues pruned to eliminate duplicates Z: 29 27.887 2.021 0.813 0.634 0.893 0.464 CB 1.420 29 residues pruned to eliminate duplicates Z: 16 27.781 1.999 0.669 0.877 1.000 0.867 CA 1.560 16 residues pruned to eliminate duplicates Z: 12 22.036 2.118 0.679 0.790 1.000 0.455 CB 1.449 12 residues pruned to eliminate duplicates Z: 134 78.758 2.362 0.882 0.512 0.902 0.594 CB 1.682 134 residues pruned to eliminate duplicates Z: 29 20.942 2.021 0.612 0.517 0.929 0.750 CB 1.286 Z: 10 11.472 1.739 0.368 0.897 0.889 0.889 CA 1.294 10 residues pruned to eliminate duplicates Z: 13 33.443 2.160 1.181 0.913 1.000 0.583 CB 1.450 13 residues pruned to eliminate duplicates Z: 50 41.055 2.129 0.810 0.556 0.939 0.714 CB 1.536 52 residues pruned to eliminate duplicates Z: 24 17.287 2.001 0.620 0.469 0.826 0.696 CB 1.390 24 residues pruned to eliminate duplicates Z: 55 40.963 2.204 1.021 0.445 0.889 0.519 CB 1.490 55 residues pruned to eliminate duplicates Z: 62 54.964 2.394 0.814 0.490 0.951 0.623 CB 1.722 62 residues pruned to eliminate duplicates Z: 29 42.914 2.236 0.952 0.633 0.964 0.643 CB 1.700 29 residues pruned to eliminate duplicates Z: 20 20.003 2.001 0.844 0.619 0.895 0.737 CB 1.243 20 residues pruned to eliminate duplicates Z: 15 22.861 1.982 0.754 0.884 1.000 0.857 CA 1.269 15 residues pruned to eliminate duplicates Z: 6 13.515 1.897 0.881 0.789 1.000 0.600 CB 1.314 6 residues pruned to eliminate duplicates Z: 25 18.386 1.951 0.744 0.544 0.917 0.750 CB 1.153 24 residues pruned to eliminate duplicates Z: 18 15.970 2.005 0.879 0.472 0.765 0.588 CB 1.382 17 residues pruned to eliminate duplicates Z: 19 34.812 2.125 1.104 0.693 0.944 0.833 CA 1.629 19 residues pruned to eliminate duplicates Z: 16 31.815 1.986 0.922 0.863 1.000 0.533 CA 1.579 16 residues pruned to eliminate duplicates Z: 17 29.441 1.892 0.930 0.882 1.000 0.500 CA 1.458 17 residues pruned to eliminate duplicates Z: 16 22.210 2.000 0.464 0.889 1.000 0.933 CA 1.410 16 residues pruned to eliminate duplicates Z: 28 50.572 2.526 1.068 0.628 0.926 0.667 CB 1.784 29 residues pruned to eliminate duplicates Z: 62 54.870 2.241 0.904 0.538 0.967 0.705 CB 1.639 119 residues pruned to eliminate duplicates Z: 16 19.280 1.898 0.529 0.848 1.000 0.867 CB 1.273 16 residues pruned to eliminate duplicates Z: 6 8.359 1.801 0.560 0.846 1.000 0.800 CA 0.989 6 residues pruned to eliminate duplicates Z: 34 41.662 2.355 1.086 0.539 0.879 0.424 CB 1.616 34 residues pruned to eliminate duplicates Z: 9 11.768 1.840 0.851 0.410 0.875 0.750 CB 1.534 9 residues pruned to eliminate duplicates Z: 16 38.491 2.479 0.748 0.929 0.933 0.867 CA 1.720 16 residues pruned to eliminate duplicates Z: 13 15.143 2.296 1.045 0.269 0.917 0.583 CB 1.321 13 residues pruned to eliminate duplicates Z: 17 18.279 1.773 0.546 0.888 1.000 0.750 CB 1.201 17 residues pruned to eliminate duplicates Z: 44 46.394 2.288 0.763 0.566 0.953 0.651 CB 1.725 44 residues pruned to eliminate duplicates Z: 24 50.185 2.549 0.967 0.678 1.000 0.696 CB 1.772 24 residues pruned to eliminate duplicates Z: 84 54.318 2.394 0.797 0.437 0.940 0.590 CB 1.575 84 residues pruned to eliminate duplicates Z: 9 5.797 1.843 -0.166 0.550 1.000 0.500 CB 1.270 Z: 6 7.802 1.771 0.298 0.525 1.000 0.600 CB 1.482 Z: 14 31.149 2.167 1.080 0.919 0.923 0.769 CB 1.463 14 residues pruned to eliminate duplicates Z: 37 26.121 2.109 0.903 0.366 0.806 0.444 CB 1.556 37 residues pruned to eliminate duplicates Z: 78 46.290 2.357 0.760 0.431 0.922 0.532 CB 1.482 78 residues pruned to eliminate duplicates Z: 12 17.665 2.102 0.922 0.491 0.909 0.636 CB 1.463 12 residues pruned to eliminate duplicates Z: 7 19.017 2.060 0.933 0.746 1.000 0.833 CA 1.565 7 residues pruned to eliminate duplicates Z: 13 26.502 2.137 0.786 0.899 1.000 0.750 CA 1.433 13 residues pruned to eliminate duplicates Z: 21 45.376 2.396 1.189 0.600 1.000 0.750 CB 1.759 21 residues pruned to eliminate duplicates Z: 17 21.536 1.829 0.943 0.918 1.000 0.688 CB 1.069 17 residues pruned to eliminate duplicates Z: 17 31.046 1.980 1.079 0.912 0.938 0.625 CA 1.425 17 residues pruned to eliminate duplicates Z: 13 16.438 2.023 0.375 0.812 1.000 0.833 CA 1.300 Z: 13 26.465 2.189 0.741 0.942 1.000 0.917 CB 1.390 13 residues pruned to eliminate duplicates Z: 8 9.309 1.751 0.885 0.643 0.857 0.714 CB 1.087 Z: 31 27.320 2.052 0.763 0.573 0.967 0.633 CB 1.329 Z: 8 10.058 1.648 0.872 0.719 0.857 0.714 CB 1.179 8 residues pruned to eliminate duplicates Z: 13 13.350 1.773 0.431 0.890 0.917 0.750 CB 1.192 Z: 30 18.774 1.857 0.650 0.517 0.966 0.621 CB 1.159 23 residues pruned to eliminate duplicates Z: 88 63.143 2.228 0.748 0.560 0.977 0.667 CB 1.678 101 residues pruned to eliminate duplicates Z: 17 17.491 1.750 0.493 0.898 1.000 0.812 CB 1.197 17 residues pruned to eliminate duplicates Z: 10 7.483 1.841 0.752 0.427 0.778 0.778 CB 1.073 Z: 15 22.672 2.487 0.336 0.874 0.857 0.714 CB 1.548 15 residues pruned to eliminate duplicates Z: 20 22.463 2.156 0.605 0.571 1.000 0.842 CB 1.391 20 residues pruned to eliminate duplicates Z: 6 4.173 1.755 0.392 0.448 0.800 0.800 CB 1.008 Z: 22 14.918 1.829 0.363 0.629 1.000 0.762 CB 1.157 20 residues pruned to eliminate duplicates Z: 57 38.529 2.138 0.843 0.451 0.875 0.661 CB 1.571 57 residues pruned to eliminate duplicates Z: 41 42.325 2.281 0.918 0.542 0.875 0.625 CA 1.676 41 residues pruned to eliminate duplicates Z: 24 13.364 1.951 0.405 0.432 0.739 0.565 CB 1.477 31 residues pruned to eliminate duplicates Z: 7 10.213 1.805 0.261 0.649 1.000 0.833 CB 1.595 Z: 11 17.903 2.196 0.351 0.514 1.000 0.800 CA 1.882 Z: 47 53.550 2.477 0.923 0.553 0.913 0.587 CB 1.724 47 residues pruned to eliminate duplicates Z: 42 26.578 2.162 0.788 0.379 0.829 0.585 CB 1.473 52 residues pruned to eliminate duplicates Z: 17 16.329 1.734 0.562 0.888 1.000 0.938 CA 1.085 17 residues pruned to eliminate duplicates Z: 25 24.346 2.368 0.678 0.401 0.875 0.542 CB 1.587 25 residues pruned to eliminate duplicates Z: 6 2.312 1.656 0.127 0.188 0.800 0.200 CB 1.007 5 residues pruned to eliminate duplicates Z: 40 44.043 2.289 0.929 0.516 0.923 0.692 CB 1.703 40 residues pruned to eliminate duplicates Z: 6 4.823 1.677 0.485 0.646 1.000 0.800 CB 0.756 Z: 16 19.892 1.678 0.760 0.901 1.000 0.733 CA 1.241 14 residues pruned to eliminate duplicates Z: 15 17.781 1.917 0.388 0.918 1.000 0.929 CA 1.259 15 residues pruned to eliminate duplicates Z: 9 23.543 2.072 0.817 0.873 1.000 0.750 CB 1.611 Z: 7 16.719 2.212 0.608 0.877 1.000 0.500 CB 1.394 7 residues pruned to eliminate duplicates Z: 92 59.715 2.307 0.866 0.452 0.945 0.626 CB 1.616 92 residues pruned to eliminate duplicates Z: 15 17.762 1.750 0.443 0.903 1.000 0.786 CB 1.340 15 residues pruned to eliminate duplicates Z: 23 17.705 1.832 0.657 0.571 0.955 0.636 CB 1.216 23 residues pruned to eliminate duplicates Z: 29 48.701 2.514 0.759 0.644 0.964 0.607 CB 1.886 29 residues pruned to eliminate duplicates Z: 16 18.673 1.876 0.623 0.890 1.000 0.800 CB 1.139 16 residues pruned to eliminate duplicates Z: 6 2.898 1.439 0.724 0.832 1.000 0.600 CB 0.392 Z: 16 20.552 1.856 0.569 0.892 1.000 0.800 CB 1.309 16 residues pruned to eliminate duplicates Z: 7 5.166 1.689 1.071 0.574 0.667 0.667 CB 0.842 7 residues pruned to eliminate duplicates Z: 7 6.759 1.754 0.961 0.464 0.833 0.667 CB 0.998 9 residues pruned to eliminate duplicates Z: 30 43.737 2.191 0.942 0.613 1.000 0.724 CB 1.715 11 residues pruned to eliminate duplicates Z: 14 23.820 2.134 0.653 0.798 0.923 0.846 CA 1.563 14 residues pruned to eliminate duplicates Z: 17 24.691 1.896 0.900 0.897 0.875 0.438 CA 1.401 17 residues pruned to eliminate duplicates Z: 8 14.039 1.898 0.731 0.693 1.000 0.714 CB 1.354 7 residues pruned to eliminate duplicates Z: 40 37.231 2.277 0.859 0.483 0.897 0.615 CB 1.597 40 residues pruned to eliminate duplicates Z: 15 13.374 1.852 0.084 0.738 1.000 0.643 CB 1.438 17 residues pruned to eliminate duplicates Z: 12 24.208 2.146 0.807 0.779 1.000 0.636 CA 1.472 12 residues pruned to eliminate duplicates Z: 22 14.385 1.869 0.650 0.428 0.905 0.619 CB 1.213 15 residues pruned to eliminate duplicates Z: 18 31.150 2.177 0.834 0.686 0.941 0.824 CA 1.696 18 residues pruned to eliminate duplicates Z: 6 3.408 1.575 -0.055 0.407 1.000 0.800 N 1.130 6 residues pruned to eliminate duplicates Z: 45 51.323 2.238 0.930 0.534 0.977 0.614 CA 1.773 45 residues pruned to eliminate duplicates Z: 14 17.595 1.739 0.516 0.929 1.000 0.769 CB 1.296 14 residues pruned to eliminate duplicates Z: 14 19.444 1.764 0.738 0.913 0.923 0.769 CA 1.349 14 residues pruned to eliminate duplicates Z: 15 6.072 1.583 0.258 0.308 0.857 0.429 CB 1.177 14 residues pruned to eliminate duplicates Z: 14 18.597 1.885 0.563 0.910 1.000 0.615 CB 1.242 14 residues pruned to eliminate duplicates Z: 17 11.015 1.996 0.688 0.260 0.812 0.500 CA 1.323 17 residues pruned to eliminate duplicates Z: 34 28.079 2.030 0.683 0.554 0.939 0.667 CB 1.444 34 residues pruned to eliminate duplicates Z: 12 7.169 1.955 0.563 0.369 0.909 0.727 CB 0.895 Z: 87 68.337 2.430 0.890 0.547 0.919 0.547 CB 1.669 87 residues pruned to eliminate duplicates Z: 35 27.303 2.266 0.695 0.296 0.912 0.647 CB 1.680 35 residues pruned to eliminate duplicates Z: 15 20.996 1.799 0.758 0.917 1.000 0.643 CB 1.252 15 residues pruned to eliminate duplicates Z: 10 16.355 1.941 1.172 0.547 0.889 0.667 CA 1.390 11 residues pruned to eliminate duplicates Z: 107 64.222 2.416 0.824 0.458 0.858 0.575 CB 1.722 107 residues pruned to eliminate duplicates Z: 8 5.327 1.805 0.040 0.485 0.857 0.571 N 1.270 8 residues pruned to eliminate duplicates Z: 27 17.425 1.887 0.521 0.639 0.923 0.615 CB 1.132 27 residues pruned to eliminate duplicates Z: 16 14.882 1.792 0.292 0.914 1.000 0.800 CB 1.174 16 residues pruned to eliminate duplicates Z: 34 27.932 1.980 0.669 0.623 0.879 0.576 CB 1.490 34 residues pruned to eliminate duplicates Z: 49 48.370 2.359 0.985 0.486 0.896 0.667 CB 1.687 49 residues pruned to eliminate duplicates Z: 12 10.667 2.038 0.726 0.512 0.909 0.818 CB 0.994 12 residues pruned to eliminate duplicates Z: 15 20.220 1.904 0.680 0.945 1.000 1.000 CB 1.169 15 residues pruned to eliminate duplicates Z: 20 21.073 2.087 0.813 0.418 0.895 0.474 CB 1.556 22 residues pruned to eliminate duplicates Z: 31 24.170 2.057 0.564 0.597 0.967 0.733 CB 1.294 31 residues pruned to eliminate duplicates Z: 9 21.204 2.142 0.632 0.900 1.000 0.500 CB 1.531 9 residues pruned to eliminate duplicates Z: 7 6.144 1.632 0.631 0.558 1.000 0.667 CB 0.891 7 residues pruned to eliminate duplicates Z: 10 12.017 1.897 0.615 0.675 0.889 0.667 CB 1.252 10 residues pruned to eliminate duplicates Z: 17 15.795 1.907 0.672 0.562 0.875 0.625 CB 1.332 17 residues pruned to eliminate duplicates Z: 15 15.768 1.752 0.397 0.879 1.000 0.786 CB 1.249 15 residues pruned to eliminate duplicates Z: 28 27.540 2.024 0.676 0.651 0.963 0.630 CB 1.410 28 residues pruned to eliminate duplicates Z: 6 4.454 1.915 -0.052 0.635 0.800 0.800 CB 1.208 6 residues pruned to eliminate duplicates Z: 44 56.885 2.437 1.022 0.568 0.953 0.581 CB 1.729 44 residues pruned to eliminate duplicates Z: 13 25.055 1.908 0.943 0.923 0.917 0.750 CB 1.495 13 residues pruned to eliminate duplicates Z: 16 16.543 1.822 0.335 0.922 1.000 0.933 CB 1.235 16 residues pruned to eliminate duplicates Z: 6 3.125 1.261 0.459 0.493 1.000 0.400 N 0.765 Z: 45 40.176 2.100 0.930 0.536 0.955 0.636 CB 1.511 45 residues pruned to eliminate duplicates Z: 21 40.362 2.508 1.062 0.640 0.900 0.700 CB 1.702 21 residues pruned to eliminate duplicates Z: 25 20.250 1.715 0.762 0.695 1.000 0.542 CB 1.145 21 residues pruned to eliminate duplicates Z: 9 15.455 1.892 0.827 0.835 0.875 0.625 CA 1.353 9 residues pruned to eliminate duplicates Z: 6 7.210 1.691 0.988 0.583 0.800 0.800 CB 1.107 6 residues pruned to eliminate duplicates Z: 18 31.185 2.119 0.978 0.644 1.000 0.765 CA 1.577 18 residues pruned to eliminate duplicates Z: 30 25.833 2.144 0.868 0.439 0.793 0.517 CA 1.609 30 residues pruned to eliminate duplicates Z: 17 27.709 1.958 0.978 0.866 0.938 0.688 CA 1.396 17 residues pruned to eliminate duplicates Z: 7 7.853 1.792 0.216 0.865 1.000 1.000 CB 1.077 7 residues pruned to eliminate duplicates Z: 16 17.478 1.817 0.649 0.899 1.000 0.467 CB 1.077 16 residues pruned to eliminate duplicates Z: 13 19.392 1.989 0.857 0.610 0.917 0.750 CA 1.489 12 residues pruned to eliminate duplicates Z: 11 7.332 1.790 0.302 0.485 0.900 0.600 CB 1.122 10 residues pruned to eliminate duplicates Z: 12 8.355 1.732 0.098 0.618 0.909 0.636 CB 1.302 12 residues pruned to eliminate duplicates 7 1.497 1.436 0.213 0.252 0.833 0.500 CB 0.560 ? Z: 24 19.071 2.004 0.564 0.561 0.913 0.609 CB 1.310 24 residues pruned to eliminate duplicates Z: 17 7.931 1.720 0.369 0.329 0.812 0.625 CB 1.249 17 residues pruned to eliminate duplicates Z: 24 32.978 2.147 0.947 0.634 0.957 0.609 CB 1.516 25 residues pruned to eliminate duplicates Z: 11 22.535 2.218 0.615 0.786 0.900 0.500 CB 1.719 11 residues pruned to eliminate duplicates Z: 13 23.284 2.517 1.137 0.437 0.833 0.500 CB 1.600 13 residues pruned to eliminate duplicates Z: 12 15.604 1.797 0.670 0.899 0.909 0.818 CB 1.233 12 residues pruned to eliminate duplicates Z: 14 19.452 1.731 0.792 0.913 1.000 0.692 CB 1.231 14 residues pruned to eliminate duplicates Z: 26 23.529 1.933 0.821 0.649 1.000 0.520 CB 1.164 27 residues pruned to eliminate duplicates Z: 7 3.709 1.457 0.041 0.536 0.833 0.667 N 1.156 7 residues pruned to eliminate duplicates Z: 11 14.646 2.149 0.284 0.845 1.000 0.900 CA 1.248 11 residues pruned to eliminate duplicates Z: 8 7.032 1.930 0.868 0.307 0.857 0.429 CB 1.065 8 residues pruned to eliminate duplicates Z: 29 38.838 2.439 0.671 0.595 0.964 0.571 CA 1.706 29 residues pruned to eliminate duplicates Z: 8 3.549 1.451 0.290 0.465 0.714 0.571 C 1.040 8 residues pruned to eliminate duplicates Z: 49 42.659 2.298 0.839 0.465 0.875 0.583 CB 1.724 49 residues pruned to eliminate duplicates Z: 8 7.657 1.651 0.617 0.485 0.857 0.429 N 1.284 8 residues pruned to eliminate duplicates Z: 35 37.431 2.141 0.718 0.588 0.941 0.559 CB 1.703 28 residues pruned to eliminate duplicates Z: 15 13.056 1.749 0.239 0.902 1.000 0.929 CA 1.148 15 residues pruned to eliminate duplicates Z: 21 34.439 2.060 0.978 0.715 1.000 0.750 CB 1.555 21 residues pruned to eliminate duplicates Z: 15 13.656 1.680 0.740 0.726 0.929 0.643 CB 1.097 15 residues pruned to eliminate duplicates Z: 33 43.614 2.032 1.101 0.662 0.969 0.781 CA 1.604 33 residues pruned to eliminate duplicates Z: 10 23.444 2.298 0.804 0.860 0.889 0.889 CA 1.560 10 residues pruned to eliminate duplicates Z: 12 9.863 1.957 0.482 0.402 0.818 0.636 CB 1.388 12 residues pruned to eliminate duplicates Z: 56 46.175 2.245 0.655 0.553 0.945 0.691 CB 1.683 96 residues pruned to eliminate duplicates Z: 61 43.162 2.302 0.867 0.462 0.933 0.650 CB 1.445 61 residues pruned to eliminate duplicates Z: 56 36.884 2.188 0.725 0.438 0.909 0.564 CB 1.546 60 residues pruned to eliminate duplicates Z: 17 15.322 1.979 0.772 0.515 0.875 0.438 CB 1.230 17 residues pruned to eliminate duplicates Z: 15 22.922 1.736 0.997 0.915 1.000 0.571 CB 1.249 19 residues pruned to eliminate duplicates Z: 7 4.294 1.494 0.467 0.444 0.833 0.167 CA 1.017 Z: 7 13.824 2.037 0.801 0.659 1.000 0.833 CA 1.327 Z: 24 20.560 1.948 0.661 0.542 0.957 0.739 CB 1.329 Z: 7 11.514 1.794 0.506 0.703 1.000 1.000 CA 1.446 7 residues pruned to eliminate duplicates Z: 11 5.862 1.687 0.184 0.543 0.900 0.600 CB 0.989 11 residues pruned to eliminate duplicates Z: 16 27.201 2.405 0.390 0.889 0.933 0.733 CA 1.621 16 residues pruned to eliminate duplicates Z: 11 13.169 1.720 1.104 0.794 0.800 0.600 CA 1.111 11 residues pruned to eliminate duplicates Z: 12 14.408 1.999 0.529 0.864 0.909 0.727 CA 1.147 12 residues pruned to eliminate duplicates Z: 9 15.839 1.715 1.280 0.733 1.000 0.500 CA 1.161 9 residues pruned to eliminate duplicates Z: 15 13.542 1.981 0.640 0.478 0.929 0.571 CB 1.226 15 residues pruned to eliminate duplicates Z: 17 14.056 1.698 0.457 0.894 1.000 0.750 CB 1.019 17 residues pruned to eliminate duplicates Z: 7 3.744 1.491 0.479 0.433 0.833 0.667 CB 0.892 Z: 14 43.113 2.682 0.791 0.892 0.923 0.692 CA 1.938 14 residues pruned to eliminate duplicates Z: 14 15.819 1.667 0.560 0.895 1.000 0.615 CB 1.210 14 residues pruned to eliminate duplicates Z: 17 28.369 2.194 0.588 0.690 1.000 0.875 CA 1.712 17 residues pruned to eliminate duplicates Z: 26 49.007 2.401 0.949 0.716 1.000 0.760 CB 1.723 26 residues pruned to eliminate duplicates Z: 57 40.077 2.197 0.649 0.512 0.911 0.607 CB 1.605 64 residues pruned to eliminate duplicates Z: 15 37.476 2.408 1.107 0.834 0.929 0.714 CA 1.594 15 residues pruned to eliminate duplicates Z: 14 27.153 2.032 0.885 0.920 1.000 0.769 CB 1.384 14 residues pruned to eliminate duplicates Z: 15 26.435 1.948 1.030 0.891 0.929 0.500 CB 1.384 15 residues pruned to eliminate duplicates Z: 11 6.845 1.497 0.678 0.293 0.900 0.600 CA 1.207 Z: 7 2.476 1.292 0.419 0.431 0.833 0.500 N 0.711 Z: 24 8.822 1.690 0.393 0.251 0.913 0.478 CB 1.139 11 residues pruned to eliminate duplicates Z: 7 4.164 1.591 0.629 0.480 0.667 0.667 N 1.003 Z: 94 60.463 2.282 0.856 0.493 0.925 0.645 CB 1.613 94 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 13.825 1.851 0.807 0.757 1.000 0.857 CA 1.243 8 residues pruned to eliminate duplicates Z: 19 19.243 1.893 0.774 0.588 0.944 0.722 CB 1.315 19 residues pruned to eliminate duplicates Z: 13 17.487 2.095 0.733 0.606 0.917 0.667 CA 1.371 13 residues pruned to eliminate duplicates Z: 15 17.033 1.998 0.695 0.557 0.857 0.643 CA 1.483 15 residues pruned to eliminate duplicates Z: 16 13.329 1.975 0.626 0.502 0.867 0.667 CB 1.234 16 residues pruned to eliminate duplicates Z: 6 5.096 1.681 1.191 0.251 0.800 0.000 CB 1.030 Z: 10 14.414 1.967 1.273 0.663 0.778 0.222 CB 1.188 16 residues pruned to eliminate duplicates Z: 9 5.109 1.651 0.152 0.336 0.875 0.625 CB 1.299 6 residues pruned to eliminate duplicates Z: 6 8.117 1.918 0.776 0.417 0.800 0.600 CA 1.451 6 residues pruned to eliminate duplicates Z: 28 44.751 2.442 0.783 0.594 1.000 0.667 CA 1.808 28 residues pruned to eliminate duplicates Z: 29 50.302 2.500 0.907 0.632 0.964 0.607 CA 1.827 29 residues pruned to eliminate duplicates Z: 17 36.857 2.606 0.696 0.816 0.938 0.812 CA 1.691 17 residues pruned to eliminate duplicates Z: 30 43.199 2.414 0.695 0.569 1.000 0.621 CA 1.834 30 residues pruned to eliminate duplicates Z: 30 47.714 2.404 0.906 0.601 1.000 0.621 CB 1.757 30 residues pruned to eliminate duplicates Z: 29 44.059 2.500 0.735 0.581 1.000 0.607 CB 1.776 29 residues pruned to eliminate duplicates Z: 29 51.396 2.513 0.981 0.639 0.929 0.536 CB 1.844 29 residues pruned to eliminate duplicates Z: 15 42.023 2.533 0.963 0.906 0.929 0.643 CB 1.730 15 residues pruned to eliminate duplicates Z: 55 46.083 2.372 0.954 0.435 0.889 0.537 CB 1.629 83 residues pruned to eliminate duplicates Z: 29 52.959 2.487 1.028 0.640 0.964 0.536 CB 1.806 Z: 14 54.257 2.727 1.010 0.864 1.000 0.462 CB 2.014 14 residues pruned to eliminate duplicates Z: 31 45.516 2.348 1.020 0.531 1.000 0.500 CB 1.699 31 residues pruned to eliminate duplicates Z: 31 48.033 2.423 0.999 0.580 0.933 0.367 CB 1.797 31 residues pruned to eliminate duplicates Z: 30 51.400 2.438 1.091 0.628 0.931 0.552 CB 1.783 29 residues pruned to eliminate duplicates Z: 16 60.431 2.750 1.381 0.807 0.933 0.533 CA 1.953 16 residues pruned to eliminate duplicates Z: 29 53.324 2.472 1.038 0.602 0.964 0.607 CB 1.883 29 residues pruned to eliminate duplicates Z: 29 51.051 2.477 0.978 0.635 0.964 0.607 CA 1.800 29 residues pruned to eliminate duplicates Z: 28 49.792 2.482 1.008 0.592 0.963 0.407 CB 1.828 30 residues pruned to eliminate duplicates Z: 6 4.606 1.590 0.455 0.449 1.000 0.600 CA 0.938 6 residues pruned to eliminate duplicates Z: 27 41.364 2.445 0.987 0.574 0.885 0.385 CB 1.757 27 residues pruned to eliminate duplicates Z: 27 35.748 2.465 0.940 0.538 0.808 0.308 CB 1.749 27 residues pruned to eliminate duplicates Z: 100 64.151 2.329 0.863 0.482 0.929 0.667 CB 1.628 100 residues pruned to eliminate duplicates Z: 51 45.591 2.220 0.940 0.466 0.980 0.700 CB 1.581 51 residues pruned to eliminate duplicates Z: 28 28.288 1.986 0.810 0.628 0.926 0.889 CB 1.450 28 residues pruned to eliminate duplicates Z: 35 27.116 1.984 0.714 0.515 1.000 0.735 CB 1.348 35 residues pruned to eliminate duplicates Z: 52 46.275 2.228 0.980 0.464 0.961 0.765 CB 1.586 52 residues pruned to eliminate duplicates Z: 23 31.598 2.065 0.938 0.674 1.000 0.682 CA 1.433 23 residues pruned to eliminate duplicates Z: 26 29.465 2.014 0.866 0.647 0.920 0.720 CB 1.486 26 residues pruned to eliminate duplicates Z: 53 40.837 2.197 0.912 0.438 0.942 0.615 CB 1.525 53 residues pruned to eliminate duplicates Z: 23 26.425 1.979 0.856 0.680 0.909 0.591 CB 1.430 23 residues pruned to eliminate duplicates Z: 64 37.171 2.165 0.845 0.384 0.873 0.460 CB 1.519 64 residues pruned to eliminate duplicates Z: 29 28.823 2.043 0.747 0.585 0.893 0.607 CB 1.576 29 residues pruned to eliminate duplicates Z: 149 80.463 2.348 0.752 0.518 0.946 0.635 CB 1.670 149 residues pruned to eliminate duplicates Z: 146 79.722 2.339 0.832 0.486 0.945 0.572 CB 1.658 146 residues pruned to eliminate duplicates Z: 23 34.225 2.097 0.965 0.711 0.955 0.500 CA 1.532 23 residues pruned to eliminate duplicates Z: 53 50.411 2.253 1.015 0.462 0.981 0.692 CB 1.633 53 residues pruned to eliminate duplicates Z: 73 61.993 2.288 1.058 0.517 0.931 0.542 CB 1.640 88 residues pruned to eliminate duplicates Z: 18 28.996 2.051 1.007 0.808 0.941 0.706 CA 1.387 18 residues pruned to eliminate duplicates Z: 137 81.500 2.374 0.929 0.499 0.912 0.596 CB 1.675 137 residues pruned to eliminate duplicates Z: 128 73.291 2.391 0.830 0.471 0.898 0.575 CB 1.705 136 residues pruned to eliminate duplicates Z: 52 42.938 2.222 0.986 0.455 0.922 0.490 CB 1.548 52 residues pruned to eliminate duplicates Z: 44 39.373 2.148 0.988 0.492 0.953 0.535 CB 1.487 44 residues pruned to eliminate duplicates Z: 142 72.876 2.304 0.857 0.470 0.922 0.539 CB 1.604 142 residues pruned to eliminate duplicates Z: 49 43.095 2.240 0.964 0.484 0.938 0.542 CB 1.533 49 residues pruned to eliminate duplicates Z: 74 53.249 2.291 1.077 0.465 0.877 0.589 CB 1.547 74 residues pruned to eliminate duplicates Z: 57 42.256 2.202 0.945 0.437 0.929 0.589 CB 1.516 57 residues pruned to eliminate duplicates Z: 30 24.416 2.279 0.798 0.271 0.966 0.586 CB 1.487 30 residues pruned to eliminate duplicates Z: 128 72.718 2.399 0.782 0.466 0.921 0.630 CB 1.697 128 residues pruned to eliminate duplicates Z: 30 21.378 2.312 0.797 0.243 0.897 0.552 CB 1.435 30 residues pruned to eliminate duplicates Z: 134 76.331 2.376 0.893 0.500 0.872 0.617 CB 1.687 134 residues pruned to eliminate duplicates Z: 95 66.244 2.341 0.884 0.496 0.968 0.649 CB 1.606 95 residues pruned to eliminate duplicates Z: 30 25.310 2.228 0.982 0.270 0.897 0.621 CB 1.542 30 residues pruned to eliminate duplicates Z: 159 90.571 2.382 0.874 0.508 0.924 0.608 CB 1.733 159 residues pruned to eliminate duplicates Z: 128 76.909 2.398 0.912 0.466 0.898 0.638 CB 1.717 128 residues pruned to eliminate duplicates Z: 53 43.454 2.212 0.987 0.442 0.942 0.538 CB 1.544 53 residues pruned to eliminate duplicates Z: 28 25.537 2.307 0.844 0.291 0.889 0.444 CB 1.643 28 residues pruned to eliminate duplicates Z: 51 42.314 2.180 1.039 0.476 0.880 0.560 CB 1.568 51 residues pruned to eliminate duplicates Z: 134 81.195 2.368 0.840 0.510 0.947 0.602 CB 1.689 134 residues pruned to eliminate duplicates Z: 66 45.652 2.404 0.672 0.478 0.892 0.615 CB 1.614 66 residues pruned to eliminate duplicates Z: 63 49.659 2.458 0.806 0.489 0.871 0.661 CB 1.649 63 residues pruned to eliminate duplicates Z: 53 40.524 2.199 0.901 0.444 0.942 0.519 CB 1.512 53 residues pruned to eliminate duplicates Z: 75 53.885 2.258 0.915 0.501 0.932 0.500 CB 1.553 75 residues pruned to eliminate duplicates Z: 28 21.333 2.188 0.686 0.224 0.926 0.556 CB 1.661 28 residues pruned to eliminate duplicates Z: 105 63.475 2.303 0.828 0.484 0.933 0.615 CB 1.611 105 residues pruned to eliminate duplicates Z: 105 63.515 2.319 0.853 0.499 0.904 0.644 CB 1.605 105 residues pruned to eliminate duplicates Z: 136 75.643 2.334 0.820 0.507 0.896 0.556 CB 1.698 136 residues pruned to eliminate duplicates Z: 96 69.428 2.410 0.812 0.517 0.916 0.589 CB 1.752 96 residues pruned to eliminate duplicates Z: 44 37.137 2.342 0.712 0.539 0.837 0.558 CB 1.624 44 residues pruned to eliminate duplicates Z: 83 56.521 2.384 0.726 0.499 0.878 0.573 CB 1.730 83 residues pruned to eliminate duplicates Z: 57 48.467 2.444 0.907 0.487 0.875 0.571 CB 1.610 57 residues pruned to eliminate duplicates Z: 84 70.769 2.452 0.906 0.546 0.916 0.602 CB 1.736 84 residues pruned to eliminate duplicates Z: 37 52.658 2.577 0.771 0.619 0.944 0.611 CA 1.820 37 residues pruned to eliminate duplicates Z: 56 49.250 2.470 0.881 0.494 0.891 0.636 CB 1.613 56 residues pruned to eliminate duplicates Z: 97 70.245 2.313 0.954 0.555 0.896 0.604 CB 1.678 97 residues pruned to eliminate duplicates Z: 87 66.419 2.414 0.874 0.512 0.895 0.605 CB 1.748 87 residues pruned to eliminate duplicates Z: 113 68.646 2.324 0.853 0.515 0.893 0.598 CB 1.661 113 residues pruned to eliminate duplicates Z: 51 46.243 2.470 0.732 0.492 0.920 0.620 CB 1.675 51 residues pruned to eliminate duplicates Z: 84 62.916 2.404 0.872 0.507 0.880 0.614 CB 1.732 84 residues pruned to eliminate duplicates Z: 80 59.075 2.382 0.823 0.545 0.886 0.544 CB 1.653 80 residues pruned to eliminate duplicates Z: 54 44.486 2.427 0.796 0.511 0.849 0.642 CB 1.633 54 residues pruned to eliminate duplicates Z: 50 56.673 2.484 0.986 0.539 0.959 0.592 CB 1.648 50 residues pruned to eliminate duplicates Z: 151 88.605 2.356 0.903 0.527 0.920 0.640 CB 1.708 151 residues pruned to eliminate duplicates Z: 42 52.432 2.458 0.868 0.615 0.902 0.610 CA 1.771 42 residues pruned to eliminate duplicates Z: 85 64.928 2.434 0.865 0.539 0.893 0.607 CB 1.683 85 residues pruned to eliminate duplicates Z: 94 68.991 2.418 0.788 0.528 0.925 0.559 CB 1.741 94 residues pruned to eliminate duplicates Z: 54 52.794 2.430 0.939 0.538 0.906 0.679 CB 1.638 54 residues pruned to eliminate duplicates Z: 56 57.614 2.398 0.857 0.544 0.982 0.600 CB 1.702 56 residues pruned to eliminate duplicates Z: 138 80.253 2.315 0.874 0.490 0.971 0.555 CB 1.643 138 residues pruned to eliminate duplicates Z: 85 71.778 2.451 0.946 0.535 0.929 0.619 CB 1.710 85 residues pruned to eliminate duplicates Z: 91 69.067 2.446 0.880 0.527 0.900 0.622 CB 1.713 91 residues pruned to eliminate duplicates Z: 32 27.459 2.378 0.893 0.350 0.806 0.484 CB 1.600 32 residues pruned to eliminate duplicates Z: 53 52.858 2.456 0.960 0.497 0.923 0.558 CB 1.653 53 residues pruned to eliminate duplicates Z: 83 68.318 2.449 0.954 0.512 0.878 0.561 CB 1.776 83 residues pruned to eliminate duplicates Z: 32 36.006 2.409 1.017 0.389 0.935 0.581 CB 1.600 32 residues pruned to eliminate duplicates Z: 30 27.281 2.421 0.947 0.298 0.828 0.483 CB 1.627 30 residues pruned to eliminate duplicates Z: 31 23.656 2.338 0.902 0.308 0.767 0.500 CB 1.568 31 residues pruned to eliminate duplicates Z: 87 64.168 2.387 0.899 0.490 0.919 0.581 CB 1.678 87 residues pruned to eliminate duplicates Z: 87 70.908 2.426 0.998 0.536 0.895 0.593 CB 1.701 87 residues pruned to eliminate duplicates Z: 86 67.641 2.445 0.829 0.535 0.918 0.612 CB 1.728 86 residues pruned to eliminate duplicates Z: 19 36.184 2.552 0.951 0.419 0.944 0.444 CA 1.973 19 residues pruned to eliminate duplicates Z: 113 57.983 2.292 0.837 0.462 0.866 0.473 CB 1.561 113 residues pruned to eliminate duplicates Z: 68 57.379 2.429 0.906 0.476 0.940 0.567 CB 1.650 68 residues pruned to eliminate duplicates Z: 32 32.461 2.344 0.789 0.349 0.968 0.516 CB 1.692 32 residues pruned to eliminate duplicates Z: 48 57.006 2.485 0.939 0.539 0.936 0.660 CB 1.775 48 residues pruned to eliminate duplicates Z: 55 49.595 2.450 0.977 0.475 0.889 0.500 CB 1.609 55 residues pruned to eliminate duplicates Z: 64 52.309 2.353 0.967 0.435 0.905 0.492 CB 1.684 64 residues pruned to eliminate duplicates Z: 63 57.404 2.416 0.922 0.464 0.952 0.581 CB 1.711 63 residues pruned to eliminate duplicates Z: 9 8.012 2.019 0.713 0.289 0.750 0.625 CB 1.385 9 residues pruned to eliminate duplicates Z: 86 73.807 2.454 0.964 0.532 0.918 0.600 CB 1.754 86 residues pruned to eliminate duplicates Z: 64 59.214 2.425 0.920 0.457 0.952 0.603 CB 1.759 64 residues pruned to eliminate duplicates Z: 89 70.876 2.422 0.900 0.511 0.932 0.636 CB 1.743 89 residues pruned to eliminate duplicates Z: 30 29.258 2.401 0.905 0.347 0.897 0.483 CB 1.564 30 residues pruned to eliminate duplicates Z: 60 56.933 2.449 0.972 0.482 0.898 0.644 CB 1.738 60 residues pruned to eliminate duplicates Z: 47 42.341 2.359 0.769 0.470 0.913 0.522 CB 1.690 47 residues pruned to eliminate duplicates Z: 87 69.610 2.430 0.918 0.534 0.919 0.535 CB 1.696 87 residues pruned to eliminate duplicates Z: 44 44.768 2.350 0.834 0.473 0.907 0.465 CB 1.796 44 residues pruned to eliminate duplicates Z: 114 69.827 2.393 0.844 0.462 0.885 0.575 CB 1.750 114 residues pruned to eliminate duplicates Z: 135 81.135 2.363 0.909 0.508 0.910 0.545 CB 1.694 135 residues pruned to eliminate duplicates Z: 115 79.228 2.462 0.936 0.527 0.877 0.561 CB 1.728 115 residues pruned to eliminate duplicates Z: 34 49.841 2.404 0.900 0.563 0.970 0.606 CA 1.843 34 residues pruned to eliminate duplicates Z: 32 52.370 2.413 1.023 0.573 0.968 0.484 CB 1.856 32 residues pruned to eliminate duplicates Z: 40 55.756 2.384 1.041 0.561 0.949 0.538 CB 1.822 40 residues pruned to eliminate duplicates Z: 39 53.089 2.372 0.998 0.584 0.947 0.632 CB 1.769 39 residues pruned to eliminate duplicates Z: 39 43.065 2.238 0.893 0.523 0.947 0.500 CB 1.702 39 residues pruned to eliminate duplicates Z: 62 55.738 2.412 1.021 0.465 0.902 0.639 CB 1.683 62 residues pruned to eliminate duplicates Z: 52 49.472 2.347 0.761 0.555 0.882 0.627 CA 1.800 52 residues pruned to eliminate duplicates Z: 39 49.755 2.411 0.853 0.540 0.921 0.605 CB 1.886 39 residues pruned to eliminate duplicates Z: 86 70.374 2.455 0.917 0.519 0.906 0.624 CB 1.757 86 residues pruned to eliminate duplicates Z: 85 73.228 2.470 1.003 0.535 0.905 0.631 CB 1.724 85 residues pruned to eliminate duplicates Z: 39 49.774 2.409 0.899 0.512 0.974 0.684 CB 1.791 39 residues pruned to eliminate duplicates Z: 54 46.588 2.251 0.784 0.541 0.925 0.660 CB 1.655 78 residues pruned to eliminate duplicates Z: 44 40.017 2.295 0.937 0.474 0.837 0.605 CB 1.684 44 residues pruned to eliminate duplicates Z: 32 44.814 2.420 0.877 0.522 0.935 0.548 CB 1.855 32 residues pruned to eliminate duplicates Z: 22 39.939 2.368 0.947 0.565 0.952 0.429 CA 1.863 22 residues pruned to eliminate duplicates Z: 38 53.510 2.433 1.026 0.552 0.919 0.622 CB 1.847 38 residues pruned to eliminate duplicates Z: 33 44.140 2.341 0.861 0.542 0.906 0.625 CB 1.896 33 residues pruned to eliminate duplicates Z: 31 49.809 2.440 0.942 0.559 0.933 0.633 CA 1.940 31 residues pruned to eliminate duplicates Z: 30 52.348 2.458 0.934 0.567 1.000 0.690 CA 1.916 30 residues pruned to eliminate duplicates Z: 31 49.562 2.431 1.056 0.565 0.933 0.633 CA 1.821 31 residues pruned to eliminate duplicates Z: 35 40.736 2.312 0.938 0.533 0.882 0.647 CB 1.712 35 residues pruned to eliminate duplicates Z: 31 47.854 2.404 0.921 0.579 0.967 0.633 CA 1.814 31 residues pruned to eliminate duplicates Z: 72 51.831 2.330 0.967 0.402 0.873 0.606 CB 1.704 72 residues pruned to eliminate duplicates Z: 31 44.633 2.430 0.947 0.549 0.900 0.633 CA 1.825 31 residues pruned to eliminate duplicates Z: 112 76.663 2.402 0.951 0.459 0.928 0.586 CB 1.745 112 residues pruned to eliminate duplicates Z: 30 48.197 2.413 0.972 0.583 0.931 0.655 CA 1.865 30 residues pruned to eliminate duplicates Z: 32 49.233 2.384 0.973 0.580 0.935 0.645 CB 1.862 32 residues pruned to eliminate duplicates Z: 84 69.384 2.470 0.966 0.541 0.880 0.639 CB 1.713 84 residues pruned to eliminate duplicates Z: 84 75.660 2.453 1.014 0.526 0.928 0.614 CB 1.766 84 residues pruned to eliminate duplicates Z: 98 73.379 2.449 0.851 0.525 0.928 0.598 CB 1.728 98 residues pruned to eliminate duplicates Z: 98 82.071 2.438 1.028 0.546 0.918 0.639 CB 1.756 98 residues pruned to eliminate duplicates Z: 51 54.879 2.383 0.936 0.524 0.920 0.660 CA 1.786 51 residues pruned to eliminate duplicates Z: 20 35.780 2.173 0.979 0.673 1.000 0.789 CA 1.628 20 residues pruned to eliminate duplicates Z: 18 34.886 2.222 0.911 0.681 1.000 0.824 CA 1.688 18 residues pruned to eliminate duplicates Z: 17 35.263 2.281 0.879 0.711 1.000 0.875 CA 1.698 17 residues pruned to eliminate duplicates Z: 19 29.125 2.143 0.892 0.707 0.944 0.833 CA 1.485 19 residues pruned to eliminate duplicates Z: 17 34.442 2.211 1.026 0.687 1.000 0.750 CA 1.619 17 residues pruned to eliminate duplicates Z: 20 34.655 2.141 0.924 0.699 1.000 0.895 CA 1.609 20 residues pruned to eliminate duplicates Z: 11 24.477 2.247 0.814 0.634 1.000 0.900 CA 1.674 11 residues pruned to eliminate duplicates Z: 17 29.998 2.279 0.896 0.579 0.938 0.688 CB 1.717 17 residues pruned to eliminate duplicates Z: 11 36.276 2.330 1.116 0.813 1.000 1.000 CA 1.771 11 residues pruned to eliminate duplicates Z: 19 25.442 2.196 0.621 0.579 0.944 0.667 CA 1.653 19 residues pruned to eliminate duplicates Z: 19 35.057 2.215 0.999 0.684 0.944 0.778 CA 1.669 19 residues pruned to eliminate duplicates Z: 12 20.569 2.232 0.917 0.702 0.909 0.727 CB 1.327 12 residues pruned to eliminate duplicates Z: 6 14.188 1.850 0.988 0.813 1.000 0.600 CB 1.313 6 residues pruned to eliminate duplicates Z: 7 4.526 1.524 0.589 0.340 0.833 0.500 CA 1.089 Z: 15 18.562 2.043 0.496 0.660 1.000 0.643 CB 1.399 6 residues pruned to eliminate duplicates Z: 12 21.229 2.213 0.567 0.752 1.000 0.818 CB 1.474 12 residues pruned to eliminate duplicates Z: 30 40.194 2.208 0.759 0.640 0.966 0.655 CB 1.747 16 residues pruned to eliminate duplicates Z: 12 20.473 2.162 0.522 0.776 1.000 0.909 CA 1.471 12 residues pruned to eliminate duplicates Z: 29 44.319 2.239 0.817 0.645 1.000 0.714 CB 1.797 30 residues pruned to eliminate duplicates Z: 28 44.492 2.194 0.886 0.659 1.000 0.778 CA 1.785 29 residues pruned to eliminate duplicates Z: 29 42.722 2.195 0.791 0.670 1.000 0.679 CA 1.755 29 residues pruned to eliminate duplicates Z: 28 44.587 2.258 0.854 0.643 1.000 0.704 CA 1.792 28 residues pruned to eliminate duplicates Z: 29 41.016 2.230 0.733 0.632 1.000 0.607 CB 1.772 29 residues pruned to eliminate duplicates Z: 30 39.895 2.204 0.828 0.582 1.000 0.655 CA 1.699 30 residues pruned to eliminate duplicates Z: 31 42.796 2.191 0.903 0.590 1.000 0.633 CA 1.720 31 residues pruned to eliminate duplicates Z: 29 41.293 2.223 0.826 0.627 0.964 0.714 CB 1.770 29 residues pruned to eliminate duplicates Z: 29 43.602 2.258 0.864 0.595 1.000 0.643 CB 1.789 29 residues pruned to eliminate duplicates Z: 29 43.759 2.224 0.992 0.599 0.964 0.714 CB 1.761 29 residues pruned to eliminate duplicates Z: 29 44.341 2.244 0.982 0.604 0.964 0.500 CB 1.770 29 residues pruned to eliminate duplicates Z: 32 37.218 2.165 0.904 0.581 0.871 0.581 CA 1.723 32 residues pruned to eliminate duplicates Z: 29 43.816 2.197 0.939 0.648 1.000 0.714 CA 1.693 29 residues pruned to eliminate duplicates Z: 30 37.651 2.170 0.883 0.624 0.897 0.690 CB 1.698 29 residues pruned to eliminate duplicates Z: 33 36.932 2.176 0.830 0.543 0.938 0.656 CB 1.676 33 residues pruned to eliminate duplicates Z: 29 39.266 2.226 0.721 0.580 1.000 0.679 CB 1.793 29 residues pruned to eliminate duplicates Z: 30 39.263 2.145 0.992 0.604 0.931 0.586 CB 1.659 30 residues pruned to eliminate duplicates Z: 31 37.469 2.169 0.944 0.592 0.900 0.667 CB 1.651 31 residues pruned to eliminate duplicates Z: 13 5.160 1.977 -0.056 0.300 0.917 0.583 CB 1.089 329 residues left after pruning, divided into chains as follows: A: 21 B: 29 C: 29 D: 33 E: 18 F: 158 G: 12 H: 29 CC for partial structure against native data = 33.75 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.582, Connect. = 0.699 for dens.mod. cycle 1 = 0.300, Contrast = 0.683, Connect. = 0.734 for dens.mod. cycle 2 = 0.300, Contrast = 0.825, Connect. = 0.771 for dens.mod. cycle 3 = 0.300, Contrast = 0.851, Connect. = 0.776 for dens.mod. cycle 4 = 0.300, Contrast = 0.873, Connect. = 0.779 for dens.mod. cycle 5 = 0.300, Contrast = 0.883, Connect. = 0.781 for dens.mod. cycle 6 = 0.300, Contrast = 0.891, Connect. = 0.782 for dens.mod. cycle 7 = 0.300, Contrast = 0.895, Connect. = 0.784 for dens.mod. cycle 8 = 0.300, Contrast = 0.898, Connect. = 0.785 for dens.mod. cycle 9 = 0.300, Contrast = 0.899, Connect. = 0.786 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2196 peaks > 0.5 sigma used to seed fragment search Space for about 710 unique residues taking solvent into account 457 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 31.789 2.671 0.502 0.920 1.000 0.778 CA 1.861 B: 14 24.870 2.505 0.306 0.897 1.000 0.846 CA 1.509 10 residues pruned to eliminate duplicates C: 15 43.681 2.507 1.055 0.921 1.000 0.929 CA 1.595 14 residues pruned to eliminate duplicates D: 16 42.591 2.449 1.008 0.881 0.933 0.667 CA 1.735 E: 14 20.642 1.949 0.856 0.715 0.846 0.692 CB 1.539 F: 88 74.287 2.401 0.954 0.557 0.931 0.563 CB 1.725 16 residues pruned to eliminate duplicates G: 15 32.536 2.492 0.598 0.923 1.000 0.786 CA 1.534 14 residues pruned to eliminate duplicates H: 16 39.985 2.392 0.776 0.913 1.000 0.800 CA 1.719 16 residues pruned to eliminate duplicates I: 58 49.176 2.458 0.816 0.509 0.912 0.456 CB 1.585 58 residues pruned to eliminate duplicates J: 87 70.795 2.380 0.973 0.541 0.907 0.616 CB 1.722 83 residues pruned to eliminate duplicates K: 17 39.276 2.368 0.906 0.906 0.938 0.625 CB 1.651 17 residues pruned to eliminate duplicates L: 31 51.712 2.407 0.999 0.602 0.967 0.667 CB 1.842 31 residues pruned to eliminate duplicates M: 38 44.758 2.362 0.761 0.555 0.946 0.703 CB 1.771 39 residues pruned to eliminate duplicates N: 16 43.231 2.464 0.890 0.925 0.933 0.600 CB 1.801 16 residues pruned to eliminate duplicates O: 17 34.488 2.351 0.725 0.900 0.938 0.812 CB 1.620 17 residues pruned to eliminate duplicates P: 14 52.755 2.645 1.019 0.922 1.000 0.692 CA 1.926 15 residues pruned to eliminate duplicates Q: 13 24.314 2.358 0.369 0.943 0.917 0.750 CB 1.644 R: 15 22.348 2.174 0.480 0.928 1.000 0.786 CA 1.300 14 residues pruned to eliminate duplicates S: 17 41.583 2.404 1.013 0.915 0.938 0.625 CB 1.619 17 residues pruned to eliminate duplicates T: 15 28.343 2.166 0.591 0.918 0.929 0.857 CA 1.670 14 residues pruned to eliminate duplicates U: 17 33.056 2.381 0.593 0.895 0.938 0.875 CA 1.666 17 residues pruned to eliminate duplicates V: 29 42.655 2.204 0.811 0.642 1.000 0.714 CB 1.768 W: 28 42.340 2.407 0.988 0.588 0.926 0.704 CA 1.691 28 residues pruned to eliminate duplicates X: 29 28.544 2.346 0.986 0.330 0.821 0.571 CB 1.698 29 residues pruned to eliminate duplicates Y: 18 39.734 2.285 1.089 0.897 0.941 0.529 CB 1.535 18 residues pruned to eliminate duplicates Z: 13 19.075 2.127 0.780 0.694 0.917 0.667 CB 1.329 14 residues pruned to eliminate duplicates Z: 13 27.590 2.037 1.279 0.689 0.917 0.833 CB 1.575 13 residues pruned to eliminate duplicates Z: 15 23.529 2.056 0.525 0.780 0.929 0.643 CB 1.688 15 residues pruned to eliminate duplicates Z: 17 30.098 2.261 0.762 0.885 0.938 0.750 CA 1.455 17 residues pruned to eliminate duplicates Z: 15 49.656 2.478 1.074 0.924 1.000 0.500 CA 1.812 14 residues pruned to eliminate duplicates Z: 31 53.268 2.414 1.057 0.575 0.967 0.600 CA 1.885 31 residues pruned to eliminate duplicates Z: 88 74.112 2.433 0.997 0.543 0.908 0.575 CB 1.727 88 residues pruned to eliminate duplicates Z: 15 29.851 2.475 0.704 0.897 0.929 0.714 CB 1.458 15 residues pruned to eliminate duplicates Z: 16 34.766 2.368 0.618 0.869 1.000 0.667 CB 1.712 16 residues pruned to eliminate duplicates Z: 14 20.568 2.119 0.534 0.694 0.923 0.615 CA 1.593 14 residues pruned to eliminate duplicates Z: 32 44.504 2.335 0.933 0.538 0.935 0.516 CA 1.823 32 residues pruned to eliminate duplicates Z: 15 40.301 2.497 0.991 0.933 0.857 0.500 CA 1.764 16 residues pruned to eliminate duplicates Z: 15 53.487 2.495 1.422 0.919 0.929 0.643 CB 1.795 14 residues pruned to eliminate duplicates Z: 17 40.776 2.326 1.199 0.900 0.938 0.500 CB 1.518 17 residues pruned to eliminate duplicates Z: 29 41.973 2.194 0.939 0.609 0.964 0.714 CB 1.744 29 residues pruned to eliminate duplicates Z: 43 47.832 2.475 0.847 0.579 0.857 0.571 CB 1.746 43 residues pruned to eliminate duplicates Z: 14 26.052 2.237 1.078 0.591 0.846 0.692 CB 1.684 14 residues pruned to eliminate duplicates Z: 16 23.903 2.066 0.623 0.909 1.000 0.800 CA 1.306 16 residues pruned to eliminate duplicates Z: 8 18.398 2.217 0.685 0.854 0.857 0.714 CA 1.604 Z: 8 11.102 2.056 0.529 0.811 0.857 0.429 CB 1.187 Z: 13 31.571 2.375 0.622 0.931 1.000 0.667 CB 1.654 14 residues pruned to eliminate duplicates Z: 30 37.825 2.325 0.880 0.570 0.862 0.586 CA 1.741 30 residues pruned to eliminate duplicates Z: 88 71.836 2.408 0.976 0.537 0.908 0.575 CB 1.719 88 residues pruned to eliminate duplicates Z: 15 24.936 2.029 0.524 0.874 1.000 0.929 CB 1.569 Z: 88 72.903 2.401 0.976 0.565 0.897 0.621 CB 1.725 88 residues pruned to eliminate duplicates Z: 17 30.097 2.351 0.648 0.878 0.875 0.688 CB 1.610 17 residues pruned to eliminate duplicates Z: 30 40.868 2.192 0.880 0.607 0.966 0.552 CB 1.724 30 residues pruned to eliminate duplicates Z: 14 18.245 1.982 0.559 0.802 1.000 0.846 CB 1.259 14 residues pruned to eliminate duplicates Z: 16 24.238 2.267 0.465 0.933 1.000 0.867 CA 1.315 15 residues pruned to eliminate duplicates Z: 32 53.149 2.325 1.060 0.595 0.968 0.645 CB 1.880 31 residues pruned to eliminate duplicates Z: 29 51.629 2.430 1.179 0.638 0.929 0.571 CB 1.744 17 residues pruned to eliminate duplicates Z: 38 23.895 1.955 0.694 0.458 0.865 0.649 CB 1.432 23 residues pruned to eliminate duplicates Z: 29 38.007 2.176 0.878 0.614 0.929 0.607 CB 1.698 29 residues pruned to eliminate duplicates Z: 19 35.051 2.195 0.685 0.865 1.000 0.778 CA 1.636 19 residues pruned to eliminate duplicates Z: 33 23.579 2.020 0.531 0.558 0.969 0.719 CB 1.316 Z: 9 16.261 2.083 0.837 0.803 0.750 0.625 CB 1.538 11 residues pruned to eliminate duplicates Z: 16 23.260 2.004 0.478 0.874 1.000 0.733 CA 1.476 16 residues pruned to eliminate duplicates Z: 16 21.694 2.303 0.200 0.906 0.867 0.867 CB 1.663 16 residues pruned to eliminate duplicates Z: 47 35.971 2.095 0.943 0.465 0.935 0.457 CB 1.444 25 residues pruned to eliminate duplicates Z: 21 16.613 1.967 0.575 0.379 0.900 0.700 CA 1.516 21 residues pruned to eliminate duplicates Z: 13 26.431 2.271 0.712 0.770 0.917 0.667 CA 1.686 13 residues pruned to eliminate duplicates Z: 13 22.468 2.121 0.562 0.741 0.917 0.583 CB 1.720 13 residues pruned to eliminate duplicates Z: 6 4.677 1.483 0.028 0.809 0.800 0.800 O 1.310 Z: 16 35.375 2.452 0.755 0.896 0.933 0.733 CA 1.629 16 residues pruned to eliminate duplicates Z: 30 42.498 2.157 1.006 0.618 0.966 0.655 CB 1.689 29 residues pruned to eliminate duplicates Z: 58 41.218 2.109 0.850 0.523 0.860 0.596 CB 1.592 58 residues pruned to eliminate duplicates Z: 51 39.725 2.155 0.949 0.449 0.920 0.500 CB 1.532 64 residues pruned to eliminate duplicates Z: 10 23.095 2.233 0.878 0.797 0.889 0.333 CB 1.592 10 residues pruned to eliminate duplicates Z: 6 4.328 1.885 -0.108 0.640 1.000 0.600 CB 1.010 Z: 29 35.542 2.178 0.757 0.612 0.964 0.679 CB 1.638 29 residues pruned to eliminate duplicates Z: 29 43.098 2.197 0.862 0.640 1.000 0.786 CB 1.746 30 residues pruned to eliminate duplicates Z: 30 36.619 2.092 0.851 0.574 0.966 0.586 CB 1.693 29 residues pruned to eliminate duplicates Z: 17 20.724 1.937 0.442 0.864 1.000 0.875 CA 1.360 17 residues pruned to eliminate duplicates Z: 29 43.777 2.375 1.145 0.617 0.857 0.500 CB 1.697 30 residues pruned to eliminate duplicates Z: 15 45.734 2.522 1.093 0.914 0.929 0.500 CB 1.763 15 residues pruned to eliminate duplicates Z: 40 48.495 2.356 0.869 0.532 0.974 0.590 CB 1.754 41 residues pruned to eliminate duplicates Z: 28 35.841 2.170 0.780 0.661 0.926 0.667 CA 1.660 14 residues pruned to eliminate duplicates Z: 13 16.729 2.026 0.933 0.725 0.833 0.750 CB 1.208 Z: 11 27.592 2.238 0.956 0.805 1.000 0.900 CB 1.527 12 residues pruned to eliminate duplicates Z: 50 49.336 2.471 0.905 0.515 0.857 0.592 CB 1.721 50 residues pruned to eliminate duplicates Z: 17 25.631 2.284 0.331 0.898 1.000 1.000 CA 1.508 17 residues pruned to eliminate duplicates Z: 10 11.069 1.738 0.446 0.846 0.889 0.889 CA 1.227 9 residues pruned to eliminate duplicates Z: 19 22.976 2.122 0.489 0.791 0.944 0.722 CA 1.406 19 residues pruned to eliminate duplicates Z: 17 36.473 2.337 1.065 0.896 0.938 0.688 CB 1.444 17 residues pruned to eliminate duplicates Z: 29 35.281 2.144 0.720 0.574 1.000 0.536 CB 1.683 29 residues pruned to eliminate duplicates Z: 6 13.451 2.032 0.651 0.780 1.000 0.800 CA 1.401 6 residues pruned to eliminate duplicates Z: 135 84.095 2.361 0.889 0.514 0.940 0.545 CB 1.707 142 residues pruned to eliminate duplicates Z: 88 62.145 2.404 0.825 0.523 0.885 0.563 CB 1.678 88 residues pruned to eliminate duplicates Z: 10 6.349 1.795 -0.127 0.595 0.889 0.667 CB 1.388 Z: 7 6.163 2.099 -0.143 0.612 0.833 0.333 N 1.510 Z: 30 38.222 2.182 0.873 0.592 0.966 0.690 CB 1.648 30 residues pruned to eliminate duplicates Z: 6 16.613 2.039 0.778 0.851 1.000 0.800 CA 1.517 6 residues pruned to eliminate duplicates Z: 14 18.904 1.984 0.686 0.736 0.923 0.692 CB 1.374 14 residues pruned to eliminate duplicates Z: 16 21.661 2.004 0.546 0.889 1.000 0.733 CB 1.300 16 residues pruned to eliminate duplicates Z: 9 19.500 1.948 0.973 0.644 1.000 1.000 CB 1.568 10 residues pruned to eliminate duplicates Z: 9 18.012 1.938 0.893 0.650 1.000 0.625 N 1.509 9 residues pruned to eliminate duplicates Z: 28 26.683 2.310 0.928 0.303 0.926 0.519 CB 1.550 28 residues pruned to eliminate duplicates Z: 12 18.939 2.161 0.455 0.789 1.000 0.818 CB 1.409 12 residues pruned to eliminate duplicates Z: 24 25.039 2.089 0.581 0.698 0.913 0.870 CA 1.445 24 residues pruned to eliminate duplicates Z: 21 15.424 1.959 0.613 0.494 0.900 0.500 CB 1.220 Z: 14 28.880 2.299 0.777 0.918 0.923 0.769 CB 1.498 14 residues pruned to eliminate duplicates Z: 54 36.871 2.203 0.718 0.419 0.906 0.547 CB 1.608 28 residues pruned to eliminate duplicates Z: 12 20.069 2.157 0.503 0.789 1.000 0.818 CB 1.448 12 residues pruned to eliminate duplicates Z: 17 21.828 1.935 0.617 0.901 0.938 0.812 CB 1.328 17 residues pruned to eliminate duplicates Z: 14 20.461 2.180 0.545 0.722 0.846 0.538 CA 1.630 14 residues pruned to eliminate duplicates Z: 30 34.188 2.051 0.934 0.623 0.966 0.655 CB 1.477 30 residues pruned to eliminate duplicates Z: 16 48.795 2.490 1.106 0.945 0.933 0.667 CA 1.781 16 residues pruned to eliminate duplicates Z: 15 33.389 2.178 0.735 0.943 1.000 0.714 CB 1.636 15 residues pruned to eliminate duplicates Z: 30 28.783 1.997 0.766 0.561 0.966 0.621 CA 1.479 27 residues pruned to eliminate duplicates Z: 14 19.335 1.973 0.608 0.803 1.000 0.769 CB 1.297 14 residues pruned to eliminate duplicates Z: 30 30.781 2.087 0.775 0.600 0.897 0.690 CB 1.563 30 residues pruned to eliminate duplicates Z: 39 48.635 2.348 0.936 0.556 0.947 0.711 CB 1.736 39 residues pruned to eliminate duplicates Z: 16 23.219 2.191 0.731 0.541 0.933 0.733 CB 1.628 Z: 19 26.236 2.093 0.578 0.662 1.000 0.778 CA 1.612 25 residues pruned to eliminate duplicates Z: 17 20.176 1.950 0.368 0.888 1.000 0.875 CA 1.362 17 residues pruned to eliminate duplicates Z: 12 11.070 2.069 0.516 0.606 0.818 0.727 CB 1.176 12 residues pruned to eliminate duplicates Z: 20 26.751 2.057 0.541 0.882 0.947 0.737 CB 1.479 20 residues pruned to eliminate duplicates Z: 15 23.868 1.922 0.631 0.906 1.000 0.643 CB 1.448 Z: 15 22.938 1.904 0.570 0.915 1.000 0.857 CB 1.450 15 residues pruned to eliminate duplicates Z: 15 31.540 2.220 0.599 0.922 1.000 0.643 CA 1.670 15 residues pruned to eliminate duplicates Z: 17 18.989 1.954 0.312 0.867 1.000 0.812 CB 1.355 17 residues pruned to eliminate duplicates Z: 9 8.592 1.890 0.519 0.525 0.750 0.500 CB 1.377 9 residues pruned to eliminate duplicates Z: 16 21.208 1.959 0.445 0.877 1.000 0.800 CB 1.406 16 residues pruned to eliminate duplicates Z: 6 4.040 1.855 -0.210 0.785 1.000 0.800 CB 0.959 Z: 14 51.456 2.620 1.196 0.927 1.000 0.462 CA 1.738 14 residues pruned to eliminate duplicates Z: 17 20.526 2.141 0.572 0.485 1.000 0.562 CB 1.547 17 residues pruned to eliminate duplicates Z: 24 32.468 2.100 0.937 0.672 0.913 0.609 CB 1.555 24 residues pruned to eliminate duplicates Z: 15 24.323 2.034 0.714 0.908 0.929 0.643 CB 1.426 15 residues pruned to eliminate duplicates Z: 7 8.742 1.697 0.158 0.845 1.000 0.833 O 1.351 Z: 16 22.756 1.851 0.600 0.892 1.000 0.667 CA 1.425 15 residues pruned to eliminate duplicates Z: 15 19.007 2.171 0.087 0.899 0.929 0.857 CB 1.658 15 residues pruned to eliminate duplicates Z: 11 16.516 2.098 0.613 0.805 1.000 0.800 CB 1.183 11 residues pruned to eliminate duplicates Z: 19 30.775 2.044 1.002 0.718 1.000 0.944 CB 1.455 19 residues pruned to eliminate duplicates Z: 18 21.026 1.895 0.491 0.887 1.000 0.941 CA 1.301 18 residues pruned to eliminate duplicates Z: 64 50.776 2.408 0.806 0.512 0.873 0.635 CB 1.664 64 residues pruned to eliminate duplicates Z: 19 30.625 2.156 0.751 0.693 1.000 0.778 CA 1.603 19 residues pruned to eliminate duplicates Z: 9 13.629 1.933 0.518 0.794 0.875 0.375 CB 1.450 9 residues pruned to eliminate duplicates Z: 15 15.133 1.922 0.390 0.833 1.000 0.786 CB 1.136 15 residues pruned to eliminate duplicates Z: 6 4.634 1.533 0.152 0.772 0.800 0.600 CB 1.154 6 residues pruned to eliminate duplicates Z: 16 25.473 2.005 0.932 0.865 0.933 0.600 CB 1.333 16 residues pruned to eliminate duplicates Z: 7 4.007 1.862 -0.260 0.770 1.000 0.667 CB 0.935 7 residues pruned to eliminate duplicates Z: 19 14.393 1.768 0.778 0.560 0.944 0.778 CB 1.078 15 residues pruned to eliminate duplicates Z: 17 26.359 1.950 0.937 0.905 0.875 0.688 CA 1.420 17 residues pruned to eliminate duplicates Z: 31 51.952 2.377 1.009 0.604 1.000 0.633 CB 1.799 31 residues pruned to eliminate duplicates Z: 90 66.075 2.398 0.887 0.520 0.876 0.562 CB 1.732 90 residues pruned to eliminate duplicates Z: 12 16.697 2.113 0.478 0.770 1.000 0.818 CB 1.270 12 residues pruned to eliminate duplicates Z: 46 52.389 2.297 0.860 0.586 0.933 0.733 CA 1.803 84 residues pruned to eliminate duplicates Z: 13 21.327 2.156 0.652 0.656 0.917 0.500 CA 1.631 13 residues pruned to eliminate duplicates Z: 31 40.667 2.281 0.811 0.664 0.933 0.600 CB 1.654 31 residues pruned to eliminate duplicates Z: 18 26.320 1.905 0.805 0.867 1.000 0.706 CB 1.358 18 residues pruned to eliminate duplicates Z: 8 7.259 1.570 0.876 0.528 0.714 0.571 N 1.269 Z: 17 31.306 2.194 0.989 0.637 0.938 0.812 CB 1.683 17 residues pruned to eliminate duplicates Z: 19 17.221 1.806 0.856 0.675 0.889 0.722 CB 1.160 14 residues pruned to eliminate duplicates Z: 7 4.918 1.513 0.822 0.508 0.667 0.500 N 1.084 Z: 35 36.251 2.113 0.729 0.560 0.971 0.676 CB 1.653 37 residues pruned to eliminate duplicates Z: 7 5.187 1.473 0.763 0.540 0.667 0.333 O 1.176 7 residues pruned to eliminate duplicates Z: 16 20.570 2.028 0.447 0.882 0.933 0.733 CB 1.403 16 residues pruned to eliminate duplicates Z: 20 16.066 2.097 0.804 0.289 0.842 0.632 CB 1.467 20 residues pruned to eliminate duplicates Z: 16 25.608 1.874 0.716 0.912 1.000 0.733 CA 1.456 16 residues pruned to eliminate duplicates Z: 14 26.546 2.131 0.654 0.803 1.000 0.769 CB 1.602 14 residues pruned to eliminate duplicates Z: 23 38.025 2.488 0.741 0.636 0.909 0.682 CB 1.811 23 residues pruned to eliminate duplicates Z: 14 32.322 2.307 0.917 0.908 0.923 0.385 CB 1.560 14 residues pruned to eliminate duplicates Z: 8 9.469 1.859 0.678 0.683 1.000 0.714 CB 0.970 8 residues pruned to eliminate duplicates Z: 9 6.567 1.851 0.391 0.396 0.875 0.500 CB 1.150 Z: 10 20.904 1.977 0.728 0.876 1.000 0.778 CA 1.482 Z: 12 12.891 1.687 0.560 0.695 0.909 0.455 CA 1.360 11 residues pruned to eliminate duplicates Z: 8 6.412 1.920 0.161 0.620 0.857 0.429 CB 1.132 Z: 7 5.026 1.835 -0.104 0.524 0.833 0.500 CB 1.461 Z: 87 58.005 2.317 0.833 0.486 0.919 0.535 CB 1.626 87 residues pruned to eliminate duplicates Z: 15 25.236 2.247 0.785 0.563 0.929 0.714 CB 1.704 16 residues pruned to eliminate duplicates Z: 12 21.308 2.130 0.815 0.620 1.000 1.000 CA 1.484 12 residues pruned to eliminate duplicates Z: 15 34.546 2.029 1.086 0.896 1.000 0.429 CB 1.562 15 residues pruned to eliminate duplicates Z: 8 14.893 1.779 1.091 0.767 0.857 0.571 N 1.393 8 residues pruned to eliminate duplicates Z: 18 23.593 2.026 0.860 0.633 1.000 0.824 CB 1.340 18 residues pruned to eliminate duplicates Z: 30 38.672 2.279 0.813 0.603 0.931 0.759 CB 1.693 30 residues pruned to eliminate duplicates Z: 15 25.096 2.099 0.711 0.932 1.000 0.714 CB 1.304 15 residues pruned to eliminate duplicates Z: 6 14.374 2.284 0.762 0.691 0.800 0.600 CA 1.676 6 residues pruned to eliminate duplicates Z: 12 8.856 1.738 0.643 0.497 0.727 0.636 CB 1.290 Z: 7 6.752 1.794 0.292 0.653 1.000 0.333 CA 1.031 Z: 26 38.313 2.369 0.823 0.584 0.960 0.600 CA 1.705 26 residues pruned to eliminate duplicates Z: 7 7.039 1.930 0.161 0.477 0.833 0.667 O 1.575 7 residues pruned to eliminate duplicates Z: 15 19.336 2.166 0.464 0.752 0.929 0.786 CA 1.402 15 residues pruned to eliminate duplicates Z: 16 18.395 1.848 0.314 0.941 1.000 0.867 CA 1.357 16 residues pruned to eliminate duplicates Z: 82 69.961 2.473 0.909 0.550 0.938 0.580 CB 1.672 82 residues pruned to eliminate duplicates Z: 7 6.733 1.629 0.337 0.655 1.000 0.500 CB 1.092 7 residues pruned to eliminate duplicates Z: 15 25.692 2.035 0.773 0.912 1.000 0.786 CB 1.348 15 residues pruned to eliminate duplicates Z: 16 24.852 1.828 0.752 0.933 1.000 0.867 CB 1.398 16 residues pruned to eliminate duplicates Z: 136 85.499 2.336 0.968 0.535 0.941 0.622 CB 1.644 136 residues pruned to eliminate duplicates Z: 13 22.586 2.118 0.661 0.847 1.000 0.750 CA 1.376 13 residues pruned to eliminate duplicates Z: 7 2.376 1.794 -0.341 0.291 1.000 0.500 N 1.037 Z: 17 23.914 1.905 0.848 0.858 0.938 0.500 CA 1.334 17 residues pruned to eliminate duplicates Z: 23 15.129 2.140 0.862 0.258 0.773 0.455 CB 1.381 23 residues pruned to eliminate duplicates Z: 55 41.515 2.127 0.839 0.438 0.944 0.685 CB 1.630 55 residues pruned to eliminate duplicates Z: 16 23.568 2.007 0.517 0.915 1.000 0.800 CA 1.413 16 residues pruned to eliminate duplicates Z: 61 50.859 2.361 0.865 0.542 0.883 0.550 CB 1.620 61 residues pruned to eliminate duplicates Z: 8 18.893 2.237 0.609 0.880 0.857 0.571 CB 1.677 8 residues pruned to eliminate duplicates Z: 8 11.837 2.016 0.427 0.825 1.000 0.429 CB 1.174 8 residues pruned to eliminate duplicates Z: 31 36.486 2.078 0.809 0.602 0.933 0.733 CA 1.723 31 residues pruned to eliminate duplicates Z: 17 15.978 1.902 0.206 0.905 1.000 0.875 CB 1.240 17 residues pruned to eliminate duplicates Z: 29 26.527 1.975 0.862 0.647 0.857 0.571 CB 1.387 29 residues pruned to eliminate duplicates Z: 15 23.202 1.907 0.620 0.916 1.000 0.929 CB 1.417 15 residues pruned to eliminate duplicates Z: 16 27.427 1.913 1.035 0.861 0.933 0.400 CB 1.432 16 residues pruned to eliminate duplicates Z: 14 17.240 1.890 0.375 0.901 0.923 0.769 CB 1.422 14 residues pruned to eliminate duplicates Z: 32 32.316 2.141 0.617 0.587 0.935 0.613 CB 1.648 32 residues pruned to eliminate duplicates Z: 29 47.327 2.427 1.137 0.621 0.929 0.393 CB 1.656 29 residues pruned to eliminate duplicates Z: 18 13.408 1.842 0.573 0.518 0.824 0.353 CA 1.339 16 residues pruned to eliminate duplicates Z: 11 11.610 1.840 0.556 0.675 1.000 0.800 CB 1.091 Z: 17 34.147 1.944 0.967 0.923 1.000 0.562 CB 1.569 17 residues pruned to eliminate duplicates Z: 15 18.985 2.129 0.564 0.590 0.929 0.714 CB 1.505 15 residues pruned to eliminate duplicates Z: 30 43.332 2.170 1.006 0.658 1.000 0.759 CB 1.596 30 residues pruned to eliminate duplicates Z: 96 66.779 2.388 0.801 0.518 0.916 0.547 CB 1.708 96 residues pruned to eliminate duplicates Z: 15 26.448 1.926 0.748 0.907 1.000 0.857 CB 1.492 15 residues pruned to eliminate duplicates Z: 16 17.960 1.833 0.497 0.837 0.933 0.667 CB 1.354 16 residues pruned to eliminate duplicates Z: 13 16.241 2.132 0.369 0.774 1.000 0.833 CB 1.261 13 residues pruned to eliminate duplicates Z: 7 5.852 1.582 0.317 0.717 0.833 0.667 O 1.131 7 residues pruned to eliminate duplicates Z: 10 5.416 1.929 -0.243 0.668 0.778 0.778 CB 1.362 Z: 56 24.082 1.932 0.442 0.476 0.891 0.600 CB 1.341 33 residues pruned to eliminate duplicates Z: 10 24.520 2.308 0.488 0.861 1.000 0.667 CB 1.748 10 residues pruned to eliminate duplicates Z: 32 14.090 1.820 0.561 0.442 0.839 0.645 CB 1.127 32 residues pruned to eliminate duplicates Z: 25 26.303 2.110 0.774 0.650 0.917 0.583 CB 1.361 26 residues pruned to eliminate duplicates Z: 7 13.425 1.862 1.191 0.689 1.000 1.000 CA 1.130 7 residues pruned to eliminate duplicates Z: 95 70.318 2.409 0.854 0.529 0.957 0.564 CB 1.648 95 residues pruned to eliminate duplicates Z: 27 24.011 2.076 0.533 0.616 0.885 0.615 CA 1.498 30 residues pruned to eliminate duplicates Z: 8 5.812 1.669 0.845 0.454 0.857 0.571 CB 0.873 8 residues pruned to eliminate duplicates Z: 53 43.220 2.250 0.872 0.444 0.942 0.635 CB 1.599 53 residues pruned to eliminate duplicates Z: 17 7.122 1.745 0.310 0.264 0.812 0.375 CB 1.255 17 residues pruned to eliminate duplicates Z: 87 67.559 2.389 0.944 0.510 0.919 0.547 CB 1.690 87 residues pruned to eliminate duplicates Z: 22 18.411 1.949 0.708 0.426 0.857 0.667 CB 1.520 22 residues pruned to eliminate duplicates Z: 8 9.079 1.612 1.173 0.603 0.857 0.857 CB 1.037 Z: 8 14.422 1.806 1.073 0.660 1.000 0.857 CB 1.255 Z: 15 15.993 1.844 0.184 0.842 1.000 0.786 CB 1.460 15 residues pruned to eliminate duplicates Z: 37 42.702 2.409 0.885 0.558 0.917 0.722 CB 1.617 37 residues pruned to eliminate duplicates Z: 6 4.478 1.432 0.339 0.775 0.800 0.800 C 1.024 Z: 6 3.439 1.738 0.309 0.564 0.600 0.600 CB 1.059 6 residues pruned to eliminate duplicates Z: 6 2.375 1.498 0.567 0.418 0.600 0.600 CB 0.821 Z: 69 56.829 2.306 0.887 0.489 0.941 0.632 CB 1.702 86 residues pruned to eliminate duplicates Z: 31 47.076 2.328 0.935 0.608 0.967 0.700 CB 1.782 31 residues pruned to eliminate duplicates Z: 20 38.143 2.301 1.284 0.606 0.895 0.737 CB 1.682 20 residues pruned to eliminate duplicates Z: 18 14.567 1.916 0.568 0.527 0.824 0.529 CB 1.390 17 residues pruned to eliminate duplicates Z: 19 17.514 2.081 0.665 0.420 0.889 0.722 CB 1.457 19 residues pruned to eliminate duplicates Z: 15 12.966 1.778 0.349 0.684 0.929 0.714 CB 1.314 13 residues pruned to eliminate duplicates Z: 10 2.985 1.742 0.448 0.250 0.778 0.778 CB 0.676 Z: 9 19.398 1.826 1.046 0.842 1.000 0.875 CB 1.368 9 residues pruned to eliminate duplicates Z: 9 11.496 1.889 0.650 0.601 0.875 0.500 CA 1.354 9 residues pruned to eliminate duplicates Z: 26 32.306 2.215 0.820 0.512 0.920 0.480 CB 1.721 26 residues pruned to eliminate duplicates Z: 6 9.878 2.115 0.649 0.643 0.800 0.400 CA 1.386 6 residues pruned to eliminate duplicates Z: 32 29.217 2.047 0.690 0.569 0.903 0.677 CB 1.570 31 residues pruned to eliminate duplicates Z: 15 20.603 1.974 0.542 0.852 0.929 0.643 CA 1.441 15 residues pruned to eliminate duplicates Z: 29 25.720 2.054 0.538 0.633 0.964 0.643 CB 1.409 29 residues pruned to eliminate duplicates Z: 20 9.093 1.748 0.341 0.346 0.895 0.368 CB 1.177 20 residues pruned to eliminate duplicates Z: 38 37.184 2.121 0.857 0.545 0.946 0.595 CB 1.570 38 residues pruned to eliminate duplicates Z: 23 45.307 2.405 0.921 0.758 0.955 0.591 CB 1.741 23 residues pruned to eliminate duplicates 7 1.756 1.385 0.431 0.432 0.667 0.500 CB 0.582 ? Z: 19 17.185 2.167 0.941 0.305 0.833 0.556 CB 1.436 19 residues pruned to eliminate duplicates Z: 6 9.235 2.093 -0.206 0.834 1.000 1.000 C 1.861 7 residues pruned to eliminate duplicates Z: 11 21.609 2.175 0.722 0.792 1.000 0.700 CB 1.413 11 residues pruned to eliminate duplicates Z: 8 3.992 1.506 0.194 0.365 0.857 0.429 N 1.131 Z: 31 37.235 2.259 0.868 0.528 0.900 0.667 CB 1.742 31 residues pruned to eliminate duplicates Z: 56 40.180 2.086 0.766 0.565 0.927 0.636 CB 1.490 56 residues pruned to eliminate duplicates Z: 41 45.943 2.365 0.886 0.542 0.900 0.500 CB 1.737 41 residues pruned to eliminate duplicates Z: 17 30.292 1.968 0.968 0.897 0.938 0.500 CA 1.494 17 residues pruned to eliminate duplicates Z: 14 22.701 2.136 0.533 0.921 0.923 0.923 CA 1.465 14 residues pruned to eliminate duplicates Z: 20 33.370 2.106 0.852 0.689 1.000 0.842 CA 1.650 20 residues pruned to eliminate duplicates Z: 14 22.683 2.169 0.569 0.723 0.923 0.769 CA 1.638 14 residues pruned to eliminate duplicates Z: 7 3.263 1.746 -0.078 0.403 0.833 0.500 CB 1.101 6 residues pruned to eliminate duplicates Z: 49 31.724 2.177 0.605 0.411 0.917 0.521 CB 1.569 49 residues pruned to eliminate duplicates Z: 13 14.469 1.798 0.788 0.698 0.917 0.750 CA 1.183 13 residues pruned to eliminate duplicates Z: 62 28.854 1.923 0.664 0.442 0.918 0.607 CB 1.335 61 residues pruned to eliminate duplicates Z: 9 7.420 1.706 0.181 0.451 1.000 0.625 CB 1.369 9 residues pruned to eliminate duplicates Z: 10 23.090 2.001 0.719 0.884 1.000 0.778 CA 1.617 10 residues pruned to eliminate duplicates Z: 11 4.548 1.884 -0.114 0.423 0.700 0.600 CB 1.333 7 residues pruned to eliminate duplicates Z: 20 17.483 2.041 0.620 0.576 0.895 0.632 CB 1.260 20 residues pruned to eliminate duplicates Z: 15 27.752 2.161 0.956 0.916 0.929 0.500 CB 1.334 15 residues pruned to eliminate duplicates Z: 16 30.697 2.029 0.911 0.929 1.000 0.467 CA 1.431 16 residues pruned to eliminate duplicates Z: 100 72.984 2.418 0.894 0.528 0.899 0.626 CB 1.734 100 residues pruned to eliminate duplicates Z: 17 32.171 2.311 0.469 0.906 1.000 0.812 CA 1.685 17 residues pruned to eliminate duplicates Z: 64 56.062 2.430 0.963 0.474 0.889 0.540 CB 1.710 64 residues pruned to eliminate duplicates Z: 17 30.026 1.876 1.149 0.924 0.938 0.562 CA 1.395 17 residues pruned to eliminate duplicates Z: 16 26.407 2.000 0.872 0.909 0.933 0.867 CA 1.384 16 residues pruned to eliminate duplicates Z: 93 71.020 2.327 0.928 0.545 0.924 0.543 CB 1.710 93 residues pruned to eliminate duplicates Z: 15 28.108 1.958 0.809 0.895 1.000 0.571 CB 1.521 15 residues pruned to eliminate duplicates Z: 23 15.096 1.989 0.488 0.464 0.864 0.591 CB 1.306 23 residues pruned to eliminate duplicates Z: 23 40.027 2.347 0.891 0.655 0.955 0.500 CB 1.745 23 residues pruned to eliminate duplicates Z: 56 49.184 2.287 0.844 0.455 0.945 0.527 CB 1.741 56 residues pruned to eliminate duplicates Z: 16 11.807 1.879 0.306 0.510 0.867 0.600 CA 1.419 16 residues pruned to eliminate duplicates Z: 44 27.802 2.270 0.781 0.361 0.767 0.442 CB 1.587 44 residues pruned to eliminate duplicates Z: 60 38.386 2.120 0.736 0.539 0.898 0.712 CB 1.455 60 residues pruned to eliminate duplicates Z: 14 14.974 1.996 0.524 0.852 1.000 0.769 CB 1.010 14 residues pruned to eliminate duplicates Z: 9 14.113 1.796 0.819 0.799 0.875 0.500 CB 1.344 9 residues pruned to eliminate duplicates Z: 6 5.062 1.419 0.743 0.588 0.800 0.400 CB 1.051 Z: 15 13.754 1.845 0.154 0.838 0.929 0.714 CA 1.391 15 residues pruned to eliminate duplicates Z: 14 13.771 1.980 0.644 0.604 0.923 0.692 CB 1.151 14 residues pruned to eliminate duplicates Z: 10 10.576 1.861 0.648 0.305 0.889 0.556 CB 1.607 10 residues pruned to eliminate duplicates Z: 12 24.999 2.297 0.407 0.893 0.909 0.545 N 1.842 12 residues pruned to eliminate duplicates Z: 17 21.912 1.947 0.568 0.912 0.938 0.812 CB 1.355 17 residues pruned to eliminate duplicates Z: 27 26.801 2.079 0.801 0.478 0.923 0.731 CB 1.556 27 residues pruned to eliminate duplicates Z: 18 6.133 1.768 0.115 0.331 0.824 0.353 CB 1.103 20 residues pruned to eliminate duplicates Z: 11 13.778 1.838 0.612 0.716 0.800 0.700 CB 1.512 11 residues pruned to eliminate duplicates Z: 11 8.604 1.837 0.046 0.626 0.900 0.800 CB 1.398 17 residues pruned to eliminate duplicates Z: 15 21.750 1.918 0.586 0.910 1.000 0.571 CB 1.355 15 residues pruned to eliminate duplicates Z: 8 14.525 2.078 0.406 0.711 1.000 0.714 CA 1.551 11 residues pruned to eliminate duplicates Z: 28 12.048 1.897 0.364 0.221 0.963 0.593 CB 1.290 28 residues pruned to eliminate duplicates Z: 10 8.291 1.789 0.828 0.462 0.778 0.667 CB 1.129 10 residues pruned to eliminate duplicates Z: 20 31.026 2.121 0.915 0.663 1.000 0.789 CA 1.506 20 residues pruned to eliminate duplicates Z: 23 24.372 2.050 0.759 0.671 0.955 0.545 CB 1.289 23 residues pruned to eliminate duplicates Z: 27 26.106 2.017 0.719 0.614 0.923 0.808 CA 1.436 27 residues pruned to eliminate duplicates Z: 7 7.689 1.687 0.628 0.611 1.000 0.667 CB 1.029 7 residues pruned to eliminate duplicates Z: 12 3.478 1.541 0.217 0.241 0.636 0.455 CB 1.185 8 residues pruned to eliminate duplicates Z: 7 17.031 2.121 0.720 0.824 1.000 0.833 CA 1.439 7 residues pruned to eliminate duplicates Z: 9 17.593 2.072 0.494 0.875 1.000 0.750 CA 1.461 9 residues pruned to eliminate duplicates Z: 43 42.379 2.161 0.947 0.546 0.929 0.690 CA 1.600 100 residues pruned to eliminate duplicates Z: 15 8.161 1.694 0.733 0.355 0.714 0.571 CB 1.216 Z: 6 3.291 1.662 0.042 0.466 1.000 0.400 CA 0.880 Z: 7 6.942 1.889 1.009 0.395 0.833 0.500 CB 1.001 7 residues pruned to eliminate duplicates Z: 21 15.574 1.936 0.366 0.615 0.900 0.800 CB 1.312 27 residues pruned to eliminate duplicates Z: 15 20.081 1.848 0.841 0.871 1.000 0.643 CB 1.150 15 residues pruned to eliminate duplicates Z: 13 20.332 2.361 0.732 0.550 0.917 0.500 CA 1.491 13 residues pruned to eliminate duplicates Z: 9 16.406 1.997 0.575 0.886 1.000 0.750 CA 1.330 9 residues pruned to eliminate duplicates Z: 6 3.114 1.930 0.282 0.429 0.800 0.800 CB 0.758 Z: 17 22.117 1.904 0.664 0.883 0.938 0.500 CB 1.346 17 residues pruned to eliminate duplicates Z: 18 20.966 2.022 0.431 0.753 1.000 0.941 CB 1.403 18 residues pruned to eliminate duplicates Z: 13 22.531 2.135 0.655 0.824 1.000 0.833 CA 1.390 Z: 7 3.277 1.414 0.583 0.430 0.833 0.667 CA 0.771 Z: 9 18.537 2.143 0.471 0.811 1.000 0.875 CB 1.585 9 residues pruned to eliminate duplicates Z: 6 2.908 1.341 0.183 0.680 0.800 0.600 CA 0.869 Z: 6 3.083 1.137 1.067 0.490 0.800 0.600 C 0.741 Z: 12 6.069 1.774 0.033 0.461 0.818 0.273 CB 1.271 12 residues pruned to eliminate duplicates Z: 15 17.764 2.014 0.395 0.910 0.929 0.857 CB 1.291 15 residues pruned to eliminate duplicates Z: 21 23.300 1.927 0.755 0.735 0.950 0.750 CB 1.313 21 residues pruned to eliminate duplicates Z: 15 36.358 2.325 0.916 0.806 0.929 0.714 CA 1.799 15 residues pruned to eliminate duplicates Z: 35 53.275 2.401 0.994 0.595 0.941 0.618 CB 1.852 35 residues pruned to eliminate duplicates Z: 11 4.052 1.481 0.523 0.412 0.600 0.400 CB 1.038 11 residues pruned to eliminate duplicates Z: 6 3.088 1.459 0.166 0.630 0.800 0.600 CB 0.898 Z: 18 27.275 2.168 0.632 0.663 1.000 0.882 CA 1.607 18 residues pruned to eliminate duplicates Z: 7 5.636 1.685 0.070 0.554 1.000 0.500 CA 1.210 Z: 13 20.144 2.098 0.804 0.475 0.917 0.667 N 1.718 Z: 29 28.941 2.155 0.780 0.620 0.821 0.607 CB 1.550 29 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 24.636 2.266 0.778 0.649 1.000 0.750 CB 1.536 13 residues pruned to eliminate duplicates Z: 6 6.499 1.616 0.560 0.353 1.000 0.800 CB 1.352 6 residues pruned to eliminate duplicates Z: 15 17.402 2.176 0.590 0.561 0.857 0.643 CB 1.478 15 residues pruned to eliminate duplicates Z: 16 21.653 2.138 0.656 0.570 0.933 0.667 CB 1.582 16 residues pruned to eliminate duplicates Z: 18 20.593 2.143 0.622 0.484 0.941 0.647 CB 1.552 18 residues pruned to eliminate duplicates Z: 20 14.896 2.100 0.490 0.405 0.895 0.474 CB 1.349 20 residues pruned to eliminate duplicates Z: 17 17.472 2.156 0.540 0.476 0.875 0.562 CB 1.541 17 residues pruned to eliminate duplicates Z: 19 17.586 2.072 0.575 0.458 0.944 0.556 CB 1.403 19 residues pruned to eliminate duplicates Z: 23 16.349 2.027 0.434 0.357 0.955 0.455 CB 1.465 23 residues pruned to eliminate duplicates Z: 17 21.521 2.211 0.598 0.440 1.000 0.625 CB 1.620 17 residues pruned to eliminate duplicates Z: 22 15.657 2.063 0.525 0.371 0.905 0.571 CB 1.378 16 residues pruned to eliminate duplicates Z: 6 5.706 1.641 0.398 0.461 1.000 1.000 CA 1.157 6 residues pruned to eliminate duplicates Z: 29 29.121 2.148 0.625 0.642 0.893 0.821 CA 1.546 29 residues pruned to eliminate duplicates Z: 29 29.948 2.138 0.598 0.614 0.929 0.679 CB 1.601 29 residues pruned to eliminate duplicates Z: 23 26.559 2.014 0.736 0.598 1.000 0.727 CA 1.474 23 residues pruned to eliminate duplicates Z: 27 23.728 2.098 0.451 0.581 0.923 0.577 CA 1.532 27 residues pruned to eliminate duplicates Z: 31 28.657 2.052 0.710 0.594 0.933 0.600 CA 1.460 31 residues pruned to eliminate duplicates Z: 27 26.930 2.138 0.493 0.596 0.962 0.500 CA 1.570 27 residues pruned to eliminate duplicates Z: 28 35.934 2.172 0.825 0.656 0.963 0.630 CB 1.568 28 residues pruned to eliminate duplicates Z: 28 35.316 2.166 0.879 0.637 0.926 0.481 CB 1.587 28 residues pruned to eliminate duplicates Z: 13 27.117 2.350 0.811 0.905 0.833 0.583 CB 1.571 13 residues pruned to eliminate duplicates Z: 29 33.886 2.173 0.832 0.623 0.929 0.536 CB 1.543 29 residues pruned to eliminate duplicates Z: 26 33.219 2.142 0.724 0.611 1.000 0.480 CB 1.619 26 residues pruned to eliminate duplicates Z: 32 30.478 2.055 0.836 0.563 0.935 0.419 CB 1.460 30 residues pruned to eliminate duplicates Z: 14 29.939 2.255 0.660 0.926 0.923 0.538 CB 1.684 14 residues pruned to eliminate duplicates Z: 27 27.656 2.134 0.602 0.601 0.923 0.538 CB 1.561 30 residues pruned to eliminate duplicates Z: 16 28.913 2.285 0.630 0.804 0.933 0.667 CB 1.647 16 residues pruned to eliminate duplicates Z: 32 31.334 2.044 0.775 0.566 0.968 0.484 CB 1.504 29 residues pruned to eliminate duplicates Z: 6 3.373 1.383 0.880 0.370 0.800 0.000 CA 0.834 6 residues pruned to eliminate duplicates Z: 29 31.502 2.140 0.753 0.629 0.893 0.607 CB 1.575 29 residues pruned to eliminate duplicates Z: 28 33.486 2.168 0.665 0.631 0.926 0.593 CA 1.705 31 residues pruned to eliminate duplicates Z: 6 3.235 1.457 0.677 0.213 1.000 0.600 N 0.830 6 residues pruned to eliminate duplicates Z: 86 34.813 1.981 0.577 0.529 0.894 0.682 CB 1.313 80 residues pruned to eliminate duplicates Z: 8 9.739 1.510 0.903 0.655 0.857 0.714 CA 1.294 8 residues pruned to eliminate duplicates Z: 36 18.033 1.874 0.446 0.494 0.829 0.514 CB 1.366 36 residues pruned to eliminate duplicates Z: 26 25.333 2.044 0.572 0.653 1.000 0.600 CB 1.368 26 residues pruned to eliminate duplicates Z: 21 21.604 2.056 0.446 0.697 0.900 0.700 CB 1.508 21 residues pruned to eliminate duplicates Z: 24 22.835 2.097 0.616 0.635 0.870 0.739 CB 1.423 24 residues pruned to eliminate duplicates Z: 23 23.774 2.118 0.489 0.641 0.955 0.682 CB 1.476 23 residues pruned to eliminate duplicates Z: 25 18.780 2.064 0.258 0.642 0.917 0.625 CB 1.410 25 residues pruned to eliminate duplicates Z: 35 21.830 1.854 0.490 0.523 0.912 0.471 CB 1.453 35 residues pruned to eliminate duplicates Z: 26 23.143 2.090 0.701 0.623 0.880 0.560 CB 1.317 26 residues pruned to eliminate duplicates Z: 26 24.037 2.051 0.638 0.605 0.920 0.640 CB 1.408 26 residues pruned to eliminate duplicates Z: 26 21.572 2.036 0.685 0.592 0.920 0.600 CB 1.252 26 residues pruned to eliminate duplicates Z: 27 25.797 2.073 0.649 0.627 0.962 0.577 CB 1.366 27 residues pruned to eliminate duplicates Z: 25 23.933 2.125 0.641 0.662 0.875 0.625 CB 1.378 25 residues pruned to eliminate duplicates Z: 31 20.160 1.965 0.704 0.543 0.833 0.567 CB 1.265 31 residues pruned to eliminate duplicates Z: 23 23.655 2.067 0.675 0.671 0.955 0.409 CB 1.303 23 residues pruned to eliminate duplicates Z: 27 26.974 2.109 0.736 0.655 0.885 0.269 CB 1.414 26 residues pruned to eliminate duplicates Z: 16 25.064 2.042 0.843 0.889 0.867 0.400 CB 1.429 16 residues pruned to eliminate duplicates Z: 48 28.263 1.998 0.611 0.464 0.957 0.468 CB 1.387 50 residues pruned to eliminate duplicates Z: 17 21.135 1.942 0.878 0.866 0.750 0.312 CB 1.414 17 residues pruned to eliminate duplicates Z: 29 26.502 2.019 0.759 0.614 0.929 0.536 CB 1.364 28 residues pruned to eliminate duplicates Z: 12 17.139 1.868 0.696 0.662 1.000 0.636 CA 1.404 13 residues pruned to eliminate duplicates Z: 12 15.637 1.686 0.853 0.710 1.000 0.727 CB 1.248 12 residues pruned to eliminate duplicates Z: 31 20.204 2.033 0.406 0.505 0.933 0.700 CB 1.376 31 residues pruned to eliminate duplicates Z: 30 23.504 2.032 0.605 0.517 0.966 0.621 CB 1.363 30 residues pruned to eliminate duplicates Z: 31 18.190 1.975 0.436 0.520 0.900 0.733 CB 1.275 31 residues pruned to eliminate duplicates Z: 21 12.995 1.954 0.635 0.337 0.850 0.600 CB 1.279 19 residues pruned to eliminate duplicates Z: 7 12.197 1.964 1.291 0.522 0.833 0.500 CA 1.299 7 residues pruned to eliminate duplicates Z: 31 20.345 1.973 0.404 0.511 0.967 0.600 CB 1.372 32 residues pruned to eliminate duplicates Z: 19 20.269 1.807 0.515 0.802 1.000 0.833 CB 1.341 19 residues pruned to eliminate duplicates Z: 21 19.851 1.958 0.572 0.640 1.000 0.750 CB 1.266 21 residues pruned to eliminate duplicates Z: 18 21.673 1.996 0.672 0.704 0.941 0.706 CB 1.390 18 residues pruned to eliminate duplicates Z: 30 22.290 2.004 0.574 0.513 0.931 0.517 CB 1.392 30 residues pruned to eliminate duplicates Z: 35 23.538 1.916 0.568 0.566 0.912 0.618 CB 1.383 35 residues pruned to eliminate duplicates Z: 32 20.173 1.980 0.592 0.513 0.903 0.516 CB 1.256 32 residues pruned to eliminate duplicates Z: 33 23.160 1.956 0.610 0.562 0.906 0.469 CB 1.350 35 residues pruned to eliminate duplicates Z: 15 17.176 1.883 0.467 0.900 0.857 0.714 CB 1.385 15 residues pruned to eliminate duplicates Z: 31 21.883 1.968 0.695 0.498 0.900 0.467 CB 1.334 31 residues pruned to eliminate duplicates Z: 32 23.177 1.902 0.651 0.561 0.903 0.677 CB 1.384 32 residues pruned to eliminate duplicates Z: 31 21.265 1.967 0.735 0.516 0.867 0.467 CB 1.291 31 residues pruned to eliminate duplicates Z: 24 20.370 1.756 0.868 0.670 0.870 0.783 CB 1.272 24 residues pruned to eliminate duplicates Z: 72 34.130 1.961 0.629 0.503 0.930 0.620 CB 1.360 72 residues pruned to eliminate duplicates Z: 85 32.895 1.948 0.517 0.473 0.917 0.548 CB 1.361 85 residues pruned to eliminate duplicates Z: 14 24.146 1.928 0.838 0.932 1.000 0.538 CB 1.320 14 residues pruned to eliminate duplicates Z: 30 13.920 1.907 0.464 0.241 0.897 0.483 CB 1.394 30 residues pruned to eliminate duplicates Z: 85 29.747 1.925 0.550 0.476 0.869 0.536 CB 1.282 85 residues pruned to eliminate duplicates Z: 51 23.310 1.997 0.359 0.429 0.960 0.660 CB 1.361 51 residues pruned to eliminate duplicates Z: 72 33.391 1.966 0.545 0.507 0.944 0.592 CB 1.374 72 residues pruned to eliminate duplicates Z: 30 14.825 1.917 0.509 0.289 0.931 0.552 CB 1.295 30 residues pruned to eliminate duplicates Z: 73 33.016 1.954 0.499 0.539 0.972 0.653 CB 1.315 73 residues pruned to eliminate duplicates Z: 51 25.153 2.000 0.480 0.440 0.920 0.620 CB 1.390 51 residues pruned to eliminate duplicates Z: 49 26.067 2.013 0.498 0.469 0.896 0.688 CB 1.438 49 residues pruned to eliminate duplicates Z: 85 31.448 1.953 0.505 0.483 0.905 0.595 CB 1.312 85 residues pruned to eliminate duplicates Z: 50 24.816 1.991 0.409 0.459 0.939 0.633 CB 1.405 50 residues pruned to eliminate duplicates Z: 70 34.783 1.987 0.620 0.537 0.913 0.594 CB 1.374 70 residues pruned to eliminate duplicates Z: 52 24.759 1.978 0.396 0.434 0.980 0.647 CB 1.371 52 residues pruned to eliminate duplicates Z: 67 28.623 2.012 0.479 0.464 0.924 0.606 CB 1.329 64 residues pruned to eliminate duplicates Z: 7 3.500 1.447 0.301 0.407 1.000 0.667 CA 0.837 7 residues pruned to eliminate duplicates Z: 50 24.222 1.981 0.532 0.451 0.898 0.633 CB 1.336 50 residues pruned to eliminate duplicates Z: 29 41.144 2.339 0.926 0.577 0.893 0.571 CA 1.796 29 residues pruned to eliminate duplicates Z: 30 43.851 2.390 0.850 0.608 0.931 0.655 CA 1.786 30 residues pruned to eliminate duplicates Z: 28 50.203 2.452 0.906 0.662 0.963 0.593 CA 1.848 28 residues pruned to eliminate duplicates Z: 24 34.284 2.411 0.679 0.609 0.913 0.609 CB 1.745 24 residues pruned to eliminate duplicates Z: 29 39.318 2.343 0.740 0.613 0.929 0.607 CA 1.764 29 residues pruned to eliminate duplicates Z: 23 36.568 2.413 0.828 0.623 0.909 0.591 CA 1.731 23 residues pruned to eliminate duplicates Z: 29 43.284 2.407 0.871 0.626 0.929 0.607 CA 1.738 29 residues pruned to eliminate duplicates Z: 27 51.277 2.459 1.225 0.603 0.923 0.654 CB 1.804 27 residues pruned to eliminate duplicates Z: 25 38.762 2.402 0.833 0.602 0.958 0.500 CA 1.702 25 residues pruned to eliminate duplicates Z: 29 40.087 2.334 1.024 0.598 0.929 0.500 CB 1.574 29 residues pruned to eliminate duplicates Z: 29 52.800 2.441 1.124 0.631 0.964 0.500 CB 1.764 29 residues pruned to eliminate duplicates Z: 31 49.363 2.345 1.117 0.587 0.967 0.467 CB 1.728 31 residues pruned to eliminate duplicates Z: 32 42.514 2.297 1.167 0.528 0.935 0.419 CB 1.595 32 residues pruned to eliminate duplicates Z: 24 40.550 2.396 0.963 0.569 0.957 0.435 CA 1.759 24 residues pruned to eliminate duplicates Z: 29 49.594 2.418 1.089 0.596 0.964 0.464 CB 1.756 29 residues pruned to eliminate duplicates Z: 29 45.099 2.370 1.117 0.597 0.893 0.429 CB 1.735 29 residues pruned to eliminate duplicates Z: 30 39.553 2.348 1.026 0.618 0.828 0.552 CB 1.669 29 residues pruned to eliminate duplicates Z: 30 51.488 2.356 1.064 0.621 0.966 0.517 CB 1.817 31 residues pruned to eliminate duplicates Z: 23 46.190 2.509 1.069 0.619 0.909 0.545 CB 1.865 23 residues pruned to eliminate duplicates Z: 24 40.456 2.407 1.011 0.605 0.913 0.435 CB 1.727 24 residues pruned to eliminate duplicates Z: 23 40.535 2.444 0.910 0.617 0.955 0.682 CA 1.737 23 residues pruned to eliminate duplicates Z: 53 38.001 2.141 0.769 0.458 0.962 0.673 CB 1.511 53 residues pruned to eliminate duplicates Z: 34 32.909 2.108 0.815 0.563 0.909 0.758 CA 1.549 34 residues pruned to eliminate duplicates Z: 17 20.786 2.089 0.707 0.547 0.938 0.688 CA 1.484 17 residues pruned to eliminate duplicates Z: 53 38.311 2.208 0.776 0.456 0.923 0.712 CB 1.536 53 residues pruned to eliminate duplicates Z: 24 27.609 2.089 0.807 0.705 0.913 0.783 CA 1.386 24 residues pruned to eliminate duplicates Z: 24 26.788 2.051 0.690 0.691 0.913 0.783 CA 1.482 24 residues pruned to eliminate duplicates Z: 54 45.485 2.216 0.895 0.456 1.000 0.755 CB 1.555 54 residues pruned to eliminate duplicates Z: 29 29.208 2.077 0.660 0.620 0.929 0.750 CA 1.540 29 residues pruned to eliminate duplicates Z: 57 37.749 2.158 0.785 0.449 0.875 0.607 CB 1.578 62 residues pruned to eliminate duplicates Z: 20 28.379 1.903 0.821 0.807 1.000 0.579 CA 1.438 20 residues pruned to eliminate duplicates Z: 106 63.264 2.355 0.763 0.473 0.924 0.638 CB 1.655 106 residues pruned to eliminate duplicates Z: 93 65.173 2.362 0.879 0.496 0.913 0.598 CB 1.683 93 residues pruned to eliminate duplicates Z: 127 71.705 2.330 0.800 0.514 0.921 0.651 CB 1.632 127 residues pruned to eliminate duplicates Z: 42 34.294 2.140 0.826 0.488 0.976 0.659 CB 1.422 42 residues pruned to eliminate duplicates Z: 107 61.642 2.304 0.801 0.486 0.925 0.585 CB 1.582 107 residues pruned to eliminate duplicates Z: 136 78.325 2.335 0.863 0.504 0.911 0.630 CB 1.695 136 residues pruned to eliminate duplicates Z: 24 26.133 2.004 0.957 0.678 0.783 0.391 CA 1.507 24 residues pruned to eliminate duplicates Z: 33 40.900 2.146 1.076 0.611 1.000 0.562 CB 1.461 33 residues pruned to eliminate duplicates Z: 56 41.580 2.174 1.020 0.425 0.909 0.600 CB 1.518 56 residues pruned to eliminate duplicates Z: 23 31.684 2.106 0.946 0.724 0.909 0.727 CA 1.481 23 residues pruned to eliminate duplicates Z: 34 25.677 1.996 0.842 0.527 0.848 0.455 CB 1.396 34 residues pruned to eliminate duplicates Z: 24 35.487 2.076 1.072 0.707 0.957 0.565 CA 1.490 24 residues pruned to eliminate duplicates Z: 80 60.140 2.300 0.967 0.490 0.949 0.646 CB 1.592 93 residues pruned to eliminate duplicates Z: 8 13.404 1.747 1.007 0.711 0.857 0.429 CA 1.392 8 residues pruned to eliminate duplicates Z: 104 67.319 2.314 0.897 0.495 0.922 0.583 CB 1.647 104 residues pruned to eliminate duplicates Z: 53 47.034 2.193 1.004 0.466 0.942 0.577 CB 1.631 53 residues pruned to eliminate duplicates Z: 58 39.835 2.190 0.894 0.443 0.895 0.632 CB 1.507 58 residues pruned to eliminate duplicates Z: 137 81.541 2.358 0.884 0.515 0.934 0.632 CB 1.660 137 residues pruned to eliminate duplicates Z: 113 69.080 2.391 0.833 0.456 0.920 0.589 CB 1.694 113 residues pruned to eliminate duplicates Z: 136 81.140 2.365 0.913 0.516 0.911 0.607 CB 1.668 136 residues pruned to eliminate duplicates Z: 53 37.586 2.147 1.021 0.445 0.904 0.481 CB 1.407 53 residues pruned to eliminate duplicates Z: 31 20.994 2.229 0.920 0.217 0.833 0.500 CB 1.498 31 residues pruned to eliminate duplicates Z: 54 40.540 2.182 1.000 0.432 0.925 0.528 CB 1.482 54 residues pruned to eliminate duplicates Z: 29 27.755 2.298 1.082 0.261 0.929 0.571 CB 1.551 29 residues pruned to eliminate duplicates Z: 58 44.063 2.215 0.878 0.440 0.947 0.596 CB 1.575 58 residues pruned to eliminate duplicates Z: 54 39.271 2.203 0.931 0.451 0.906 0.566 CB 1.473 54 residues pruned to eliminate duplicates Z: 99 61.426 2.339 0.827 0.503 0.888 0.531 CB 1.631 99 residues pruned to eliminate duplicates Z: 107 67.591 2.331 0.870 0.512 0.925 0.604 CB 1.610 107 residues pruned to eliminate duplicates Z: 49 48.156 2.216 0.960 0.507 1.000 0.625 CB 1.589 49 residues pruned to eliminate duplicates Z: 104 65.501 2.325 0.898 0.506 0.922 0.534 CB 1.577 104 residues pruned to eliminate duplicates Z: 57 46.879 2.232 0.954 0.479 0.911 0.589 CB 1.611 57 residues pruned to eliminate duplicates Z: 96 58.868 2.255 0.905 0.512 0.916 0.537 CB 1.517 96 residues pruned to eliminate duplicates Z: 49 34.130 2.173 1.006 0.433 0.812 0.479 CB 1.491 49 residues pruned to eliminate duplicates Z: 53 44.661 2.170 1.005 0.479 0.923 0.596 CB 1.575 53 residues pruned to eliminate duplicates Z: 32 27.145 2.279 0.929 0.280 0.935 0.548 CB 1.521 32 residues pruned to eliminate duplicates Z: 137 75.531 2.331 0.843 0.490 0.919 0.596 CB 1.657 137 residues pruned to eliminate duplicates Z: 72 46.981 2.399 0.663 0.495 0.873 0.634 CB 1.608 72 residues pruned to eliminate duplicates Z: 53 42.314 2.200 0.872 0.460 0.962 0.673 CB 1.543 53 residues pruned to eliminate duplicates Z: 103 67.054 2.336 0.834 0.514 0.931 0.667 CB 1.642 103 residues pruned to eliminate duplicates Z: 101 61.691 2.292 0.770 0.516 0.910 0.570 CB 1.645 101 residues pruned to eliminate duplicates Z: 94 65.540 2.321 0.835 0.522 0.957 0.634 CB 1.632 94 residues pruned to eliminate duplicates Z: 156 93.786 2.373 0.884 0.548 0.948 0.632 CB 1.695 156 residues pruned to eliminate duplicates Z: 89 66.482 2.408 0.848 0.536 0.932 0.580 CB 1.649 89 residues pruned to eliminate duplicates Z: 57 44.423 2.399 0.811 0.496 0.875 0.518 CB 1.569 57 residues pruned to eliminate duplicates Z: 42 49.120 2.498 0.773 0.603 0.902 0.659 CA 1.740 42 residues pruned to eliminate duplicates Z: 91 64.650 2.378 0.860 0.528 0.900 0.567 CB 1.666 91 residues pruned to eliminate duplicates Z: 45 49.791 2.451 0.838 0.584 0.864 0.591 CB 1.780 45 residues pruned to eliminate duplicates Z: 46 54.496 2.452 0.916 0.594 0.956 0.556 CB 1.654 46 residues pruned to eliminate duplicates Z: 56 49.099 2.453 0.906 0.496 0.836 0.545 CB 1.700 56 residues pruned to eliminate duplicates Z: 112 71.215 2.399 0.903 0.481 0.892 0.550 CB 1.692 112 residues pruned to eliminate duplicates Z: 88 66.033 2.416 0.951 0.534 0.874 0.552 CB 1.664 88 residues pruned to eliminate duplicates Z: 61 52.026 2.427 0.911 0.522 0.883 0.533 CB 1.604 61 residues pruned to eliminate duplicates Z: 47 49.984 2.478 0.867 0.571 0.870 0.652 CB 1.710 47 residues pruned to eliminate duplicates Z: 87 75.799 2.441 0.994 0.555 0.930 0.581 CB 1.710 87 residues pruned to eliminate duplicates Z: 145 80.132 2.313 0.925 0.507 0.903 0.514 CB 1.650 145 residues pruned to eliminate duplicates Z: 89 65.335 2.416 0.801 0.524 0.909 0.534 CB 1.720 89 residues pruned to eliminate duplicates Z: 91 70.827 2.439 1.010 0.533 0.889 0.633 CB 1.659 91 residues pruned to eliminate duplicates Z: 58 49.402 2.414 0.866 0.483 0.930 0.526 CB 1.590 58 residues pruned to eliminate duplicates Z: 55 56.342 2.417 1.033 0.523 0.944 0.574 CB 1.615 55 residues pruned to eliminate duplicates Z: 125 74.585 2.362 0.867 0.504 0.911 0.573 CB 1.660 125 residues pruned to eliminate duplicates Z: 44 55.271 2.461 1.021 0.594 0.907 0.581 CB 1.709 44 residues pruned to eliminate duplicates Z: 61 49.608 2.418 0.993 0.502 0.817 0.500 CB 1.624 61 residues pruned to eliminate duplicates Z: 105 66.557 2.320 0.957 0.513 0.933 0.587 CB 1.521 105 residues pruned to eliminate duplicates Z: 85 56.324 2.369 0.858 0.431 0.905 0.571 CB 1.657 85 residues pruned to eliminate duplicates Z: 82 53.657 2.377 0.794 0.447 0.889 0.519 CB 1.660 82 residues pruned to eliminate duplicates Z: 86 68.985 2.436 0.891 0.560 0.894 0.647 CB 1.714 86 residues pruned to eliminate duplicates Z: 134 83.890 2.356 0.993 0.529 0.910 0.564 CB 1.654 134 residues pruned to eliminate duplicates Z: 55 58.225 2.429 0.965 0.566 0.926 0.574 CB 1.682 55 residues pruned to eliminate duplicates Z: 86 68.750 2.448 0.993 0.527 0.882 0.541 CB 1.685 86 residues pruned to eliminate duplicates Z: 85 66.615 2.425 0.885 0.541 0.893 0.595 CB 1.711 85 residues pruned to eliminate duplicates Z: 21 28.812 2.452 0.924 0.448 0.900 0.600 CB 1.600 21 residues pruned to eliminate duplicates Z: 59 49.887 2.414 0.839 0.507 0.879 0.569 CB 1.665 59 residues pruned to eliminate duplicates Z: 63 59.598 2.408 0.926 0.484 0.952 0.500 CB 1.743 63 residues pruned to eliminate duplicates Z: 22 37.929 2.369 1.075 0.441 1.000 0.667 CB 1.789 22 residues pruned to eliminate duplicates Z: 87 72.564 2.441 0.978 0.540 0.907 0.605 CB 1.719 87 residues pruned to eliminate duplicates Z: 88 70.106 2.418 1.016 0.519 0.908 0.575 CB 1.666 88 residues pruned to eliminate duplicates Z: 91 72.935 2.402 0.990 0.538 0.900 0.656 CB 1.721 91 residues pruned to eliminate duplicates Z: 85 67.341 2.406 0.906 0.533 0.893 0.607 CB 1.737 85 residues pruned to eliminate duplicates Z: 89 66.251 2.446 0.925 0.518 0.886 0.557 CB 1.663 89 residues pruned to eliminate duplicates Z: 97 66.805 2.334 0.879 0.498 0.927 0.615 CB 1.681 97 residues pruned to eliminate duplicates Z: 26 28.322 2.420 0.918 0.348 0.840 0.600 CB 1.712 26 residues pruned to eliminate duplicates Z: 114 68.679 2.376 0.843 0.471 0.912 0.646 CB 1.666 114 residues pruned to eliminate duplicates Z: 57 46.569 2.407 0.943 0.507 0.893 0.536 CB 1.480 57 residues pruned to eliminate duplicates Z: 80 57.878 2.406 0.887 0.422 0.911 0.557 CB 1.706 80 residues pruned to eliminate duplicates Z: 30 36.035 2.304 0.881 0.519 0.931 0.345 CB 1.628 30 residues pruned to eliminate duplicates Z: 14 13.314 2.264 0.662 0.391 0.846 0.692 CB 1.302 14 residues pruned to eliminate duplicates Z: 84 65.994 2.448 0.868 0.508 0.892 0.590 CB 1.762 84 residues pruned to eliminate duplicates Z: 114 74.856 2.379 0.942 0.481 0.903 0.575 CB 1.722 114 residues pruned to eliminate duplicates Z: 48 42.422 2.321 0.880 0.458 0.872 0.638 CB 1.697 48 residues pruned to eliminate duplicates Z: 89 65.286 2.440 0.904 0.516 0.864 0.591 CB 1.706 89 residues pruned to eliminate duplicates Z: 51 35.440 2.217 0.831 0.391 0.880 0.580 CB 1.574 51 residues pruned to eliminate duplicates Z: 62 48.874 2.421 0.835 0.432 0.918 0.590 CB 1.646 62 residues pruned to eliminate duplicates Z: 41 47.601 2.352 0.992 0.526 0.925 0.650 CB 1.693 41 residues pruned to eliminate duplicates Z: 87 72.254 2.472 0.926 0.529 0.907 0.605 CB 1.753 87 residues pruned to eliminate duplicates Z: 63 55.679 2.412 0.907 0.464 0.935 0.677 CB 1.706 63 residues pruned to eliminate duplicates Z: 65 57.051 2.396 1.010 0.463 0.906 0.656 CB 1.696 65 residues pruned to eliminate duplicates Z: 85 73.357 2.445 1.044 0.535 0.917 0.548 CB 1.688 85 residues pruned to eliminate duplicates Z: 62 56.633 2.441 0.897 0.470 0.934 0.574 CB 1.728 62 residues pruned to eliminate duplicates Z: 31 48.834 2.391 0.965 0.556 0.967 0.667 CB 1.859 31 residues pruned to eliminate duplicates Z: 32 45.181 2.320 1.009 0.543 0.968 0.645 CB 1.725 32 residues pruned to eliminate duplicates Z: 53 41.580 2.349 0.869 0.406 0.885 0.558 CB 1.638 53 residues pruned to eliminate duplicates Z: 32 45.920 2.353 0.999 0.553 0.935 0.613 CB 1.780 32 residues pruned to eliminate duplicates Z: 86 60.192 2.429 0.910 0.493 0.824 0.612 CB 1.721 86 residues pruned to eliminate duplicates Z: 31 49.568 2.394 0.987 0.549 0.967 0.667 CA 1.876 31 residues pruned to eliminate duplicates Z: 63 58.268 2.427 0.959 0.468 0.919 0.661 CB 1.749 63 residues pruned to eliminate duplicates Z: 133 88.642 2.361 1.012 0.525 0.939 0.598 CB 1.686 133 residues pruned to eliminate duplicates Z: 55 42.928 2.274 0.880 0.404 0.944 0.556 CB 1.601 67 residues pruned to eliminate duplicates Z: 32 46.502 2.335 1.026 0.536 1.000 0.548 CB 1.705 32 residues pruned to eliminate duplicates Z: 99 74.611 2.406 0.937 0.530 0.898 0.633 CB 1.749 99 residues pruned to eliminate duplicates Z: 38 57.124 2.378 1.073 0.573 1.000 0.649 CB 1.775 38 residues pruned to eliminate duplicates Z: 35 28.141 2.155 0.816 0.420 0.824 0.471 CA 1.628 35 residues pruned to eliminate duplicates Z: 30 49.662 2.417 1.035 0.560 0.966 0.586 CA 1.832 30 residues pruned to eliminate duplicates Z: 32 46.657 2.342 1.041 0.559 0.903 0.581 CB 1.833 32 residues pruned to eliminate duplicates Z: 55 43.054 2.226 0.872 0.422 0.907 0.537 CB 1.681 55 residues pruned to eliminate duplicates Z: 31 48.531 2.386 1.070 0.555 0.933 0.600 CA 1.822 31 residues pruned to eliminate duplicates Z: 104 75.881 2.413 0.868 0.511 0.951 0.621 CB 1.723 104 residues pruned to eliminate duplicates Z: 30 47.883 2.390 0.986 0.572 0.966 0.724 CB 1.809 30 residues pruned to eliminate duplicates Z: 105 81.561 2.403 0.960 0.533 0.952 0.644 CB 1.728 105 residues pruned to eliminate duplicates Z: 86 74.618 2.434 0.982 0.534 0.929 0.647 CB 1.745 86 residues pruned to eliminate duplicates Z: 31 51.495 2.343 1.135 0.579 1.000 0.633 CA 1.742 31 residues pruned to eliminate duplicates Z: 30 44.533 2.406 0.968 0.556 0.897 0.586 CA 1.846 30 residues pruned to eliminate duplicates Z: 30 51.499 2.401 1.015 0.603 0.966 0.655 CA 1.856 30 residues pruned to eliminate duplicates Z: 31 40.878 2.313 0.954 0.512 0.900 0.600 CB 1.813 31 residues pruned to eliminate duplicates Z: 67 49.142 2.247 0.933 0.440 0.894 0.591 CB 1.658 73 residues pruned to eliminate duplicates Z: 54 46.573 2.350 0.931 0.424 0.925 0.509 CB 1.650 54 residues pruned to eliminate duplicates Z: 20 32.556 2.142 0.771 0.754 1.000 0.895 CA 1.570 21 residues pruned to eliminate duplicates Z: 6 10.300 1.991 1.140 0.292 1.000 0.600 CA 1.365 6 residues pruned to eliminate duplicates Z: 19 36.306 2.185 0.951 0.738 1.000 0.722 CA 1.621 19 residues pruned to eliminate duplicates Z: 19 34.888 2.180 0.919 0.698 1.000 0.778 CB 1.641 19 residues pruned to eliminate duplicates Z: 19 32.849 2.167 0.836 0.663 1.000 0.722 CB 1.673 19 residues pruned to eliminate duplicates Z: 15 26.988 2.049 1.056 0.761 1.000 0.714 CB 1.358 15 residues pruned to eliminate duplicates Z: 11 25.557 2.173 0.957 0.726 1.000 0.900 CB 1.549 11 residues pruned to eliminate duplicates Z: 19 34.382 2.138 1.007 0.640 1.000 0.778 CB 1.656 19 residues pruned to eliminate duplicates Z: 19 32.467 2.151 1.055 0.663 0.889 0.778 CB 1.675 19 residues pruned to eliminate duplicates Z: 11 25.189 2.169 0.907 0.775 1.000 0.900 CA 1.511 11 residues pruned to eliminate duplicates Z: 6 4.883 1.658 0.591 0.273 0.800 0.800 CA 1.338 Z: 15 16.240 2.037 0.612 0.684 0.786 0.571 CB 1.421 18 residues pruned to eliminate duplicates Z: 14 19.053 2.123 0.696 0.691 0.923 0.615 CB 1.335 14 residues pruned to eliminate duplicates Z: 29 46.794 2.213 0.956 0.689 1.000 0.786 CA 1.718 29 residues pruned to eliminate duplicates Z: 10 15.014 2.101 0.341 0.853 1.000 0.889 CB 1.313 10 residues pruned to eliminate duplicates Z: 29 46.649 2.218 0.999 0.642 1.000 0.643 CA 1.741 29 residues pruned to eliminate duplicates Z: 30 42.934 2.209 0.880 0.616 1.000 0.690 CB 1.721 30 residues pruned to eliminate duplicates Z: 13 20.680 2.182 0.604 0.802 1.000 0.833 CA 1.310 13 residues pruned to eliminate duplicates Z: 30 40.620 2.169 0.852 0.596 1.000 0.690 CA 1.714 30 residues pruned to eliminate duplicates Z: 29 44.429 2.219 0.927 0.642 1.000 0.679 CA 1.720 29 residues pruned to eliminate duplicates Z: 13 21.844 2.152 0.684 0.799 1.000 0.667 CA 1.339 13 residues pruned to eliminate duplicates Z: 30 41.654 2.184 0.857 0.650 1.000 0.690 CB 1.659 30 residues pruned to eliminate duplicates Z: 29 44.512 2.228 0.924 0.609 1.000 0.536 CA 1.769 29 residues pruned to eliminate duplicates Z: 30 43.640 2.203 0.959 0.614 1.000 0.655 CA 1.685 30 residues pruned to eliminate duplicates Z: 30 37.805 2.162 0.948 0.627 0.931 0.690 CB 1.588 30 residues pruned to eliminate duplicates Z: 30 39.074 2.152 0.898 0.610 0.966 0.552 CB 1.658 30 residues pruned to eliminate duplicates Z: 29 45.732 2.224 0.954 0.642 1.000 0.643 CA 1.742 29 residues pruned to eliminate duplicates Z: 6 10.984 1.994 0.916 0.453 0.800 0.400 O 1.686 6 residues pruned to eliminate duplicates Z: 30 38.109 2.194 0.837 0.578 0.966 0.690 CB 1.688 30 residues pruned to eliminate duplicates Z: 29 42.076 2.243 0.930 0.604 0.929 0.643 CA 1.792 29 residues pruned to eliminate duplicates Z: 29 44.990 2.216 0.913 0.617 1.000 0.679 CA 1.796 29 residues pruned to eliminate duplicates Z: 29 44.910 2.225 0.946 0.616 0.964 0.643 CB 1.822 29 residues pruned to eliminate duplicates 342 residues left after pruning, divided into chains as follows: A: 6 B: 28 C: 107 D: 172 E: 29 CC for partial structure against native data = 34.45 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 4 used as input for final density modification = 0.300, Contrast = 0.588, Connect. = 0.700 for dens.mod. cycle 1 = 0.300, Contrast = 0.686, Connect. = 0.734 for dens.mod. cycle 2 = 0.300, Contrast = 0.833, Connect. = 0.774 for dens.mod. cycle 3 = 0.300, Contrast = 0.857, Connect. = 0.777 for dens.mod. cycle 4 = 0.300, Contrast = 0.881, Connect. = 0.780 for dens.mod. cycle 5 = 0.300, Contrast = 0.890, Connect. = 0.783 for dens.mod. cycle 6 = 0.300, Contrast = 0.901, Connect. = 0.784 for dens.mod. cycle 7 = 0.300, Contrast = 0.904, Connect. = 0.786 for dens.mod. cycle 8 = 0.300, Contrast = 0.909, Connect. = 0.787 for dens.mod. cycle 9 = 0.300, Contrast = 0.909, Connect. = 0.788 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.37 - 3.46 - 3.01 - 2.73 - 2.53 - 2.38 - 2.26 - 2.16 - 2.08 - 2.01 0.769 0.788 0.774 0.738 0.747 0.737 0.718 0.686 0.662 0.627 0.886 0.910 0.926 0.895 0.905 0.898 0.879 0.842 0.812 0.762 N 4446 4434 4520 4523 4528 4482 4458 4483 4256 4253 Estimated mean FOM = 0.725 Pseudo-free CC = 74.48 % Best trace (cycle 4 with CC 34.45%) was saved as ./2p8j-2.0-parrot-noncs/2p8j-2.0-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.4 - Setup, data input and phasing 6.7 - FFTs and peak-searches 11.0 - Sphere of influence 0.5 - Rest of density modification 0.0 - Alpha-helix search 783.9 - Tripeptide search 9399.8 - Chain tracing 0.0 - NCS analysis 32.3 - B-value refinement for trace 0.2 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 01:10:51 Total time: 10234.93 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 171.48 Used memory is bytes: 10850752