null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 21:43:37 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: ./2ii1-1.9-parrot-noncs/2ii1-1.9-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2ii1-1.9-parrot-noncs/2ii1-1.9-parrot-noncs.ins Phases from ./2ii1-1.9-parrot-noncs/2ii1-1.9-parrot-noncs.phi Native data from ./2ii1-1.9-parrot-noncs/2ii1-1.9-parrot-noncs.hkl Listing output to ./2ii1-1.9-parrot-noncs/2ii1-1.9-parrot-noncs.lst Phases output to ./2ii1-1.9-parrot-noncs/2ii1-1.9-parrot-noncs.phs Poly-Ala trace output to ./2ii1-1.9-parrot-noncs/2ii1-1.9-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 1 Allowed origin shift code: 1 70806 Reflections read from file ./2ii1-1.9-parrot-noncs/2ii1-1.9-parrot-noncs.phi 70806 Reflections read from file ./2ii1-1.9-parrot-noncs/2ii1-1.9-parrot-noncs.hkl 70806 Unique data, highest resolution = 1.950 Angstroms Anisotropic scaling: intensities multiplied by 0.000174h^2 +0.000041k^2 -0.000002l^2 -0.000138kl -0.000227hl +0.000106hk 5476 Reflections with d > 2.150 and 0 in range 2.150 > d > 1.950 added Density sharpening factor set to 0.83 Fourier grid = 128 x 128 x 145 0.000 <= z <= 1.000 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.669 = 0.269, Contrast = 0.091, Connect. = 0.524 for dens.mod. cycle 1 = 0.289, Contrast = 0.237, Connect. = 0.562 for dens.mod. cycle 2 = 0.299, Contrast = 0.372, Connect. = 0.634 for dens.mod. cycle 3 = 0.300, Contrast = 0.459, Connect. = 0.674 for dens.mod. cycle 4 = 0.300, Contrast = 0.516, Connect. = 0.699 for dens.mod. cycle 5 = 0.300, Contrast = 0.553, Connect. = 0.715 for dens.mod. cycle 6 = 0.300, Contrast = 0.575, Connect. = 0.725 for dens.mod. cycle 7 = 0.300, Contrast = 0.588, Connect. = 0.732 for dens.mod. cycle 8 = 0.300, Contrast = 0.597, Connect. = 0.736 for dens.mod. cycle 9 = 0.300, Contrast = 0.602, Connect. = 0.740 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6702 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1130 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 19 17.753 1.655 0.773 0.922 1.000 0.944 CB 1.003 B: 17 18.845 1.797 0.691 0.908 1.000 0.812 CB 1.101 18 residues pruned to eliminate duplicates C: 12 18.501 1.804 0.727 0.900 1.000 1.000 CB 1.279 12 residues pruned to eliminate duplicates D: 17 16.354 1.745 0.505 0.920 1.000 0.875 CB 1.097 17 residues pruned to eliminate duplicates E: 10 12.455 1.925 0.490 0.846 0.889 0.667 CB 1.210 F: 10 18.197 1.661 1.231 0.777 1.000 0.778 CB 1.281 G: 17 10.992 1.689 0.519 0.894 0.875 0.438 CB 0.877 9 residues pruned to eliminate duplicates H: 13 19.894 1.744 0.843 0.872 1.000 0.917 CA 1.303 13 residues pruned to eliminate duplicates I: 7 7.483 1.588 0.262 0.818 1.000 0.667 CA 1.156 J: 18 19.363 1.707 0.827 0.924 1.000 0.824 CB 1.057 18 residues pruned to eliminate duplicates K: 6 8.505 1.710 0.448 0.749 1.000 1.000 CB 1.229 L: 9 4.392 1.648 0.463 0.257 1.000 0.250 CB 0.851 M: 14 18.551 1.755 0.659 0.893 1.000 0.923 CB 1.269 14 residues pruned to eliminate duplicates N: 16 10.215 1.504 0.544 0.861 0.933 0.600 CB 0.894 13 residues pruned to eliminate duplicates O: 10 12.527 1.775 0.610 0.899 1.000 0.778 CB 1.045 10 residues pruned to eliminate duplicates P: 9 8.427 1.584 0.809 0.530 0.875 0.625 CB 1.153 9 residues pruned to eliminate duplicates Q: 15 12.221 1.593 0.297 0.929 1.000 0.929 CA 1.106 R: 19 20.872 1.758 0.865 0.918 1.000 0.611 CB 1.058 17 residues pruned to eliminate duplicates S: 13 18.790 1.791 0.709 0.888 1.000 0.917 CB 1.277 13 residues pruned to eliminate duplicates T: 11 10.685 1.423 0.656 0.679 1.000 0.700 CA 1.216 9 residues pruned to eliminate duplicates U: 10 8.360 1.464 0.764 0.588 0.889 0.667 C 1.115 10 residues pruned to eliminate duplicates V: 9 7.681 1.495 0.462 0.830 1.000 0.875 CA 0.934 7 residues pruned to eliminate duplicates W: 6 6.509 1.754 -0.019 0.719 1.000 0.600 CB 1.387 6 residues pruned to eliminate duplicates X: 9 10.529 1.681 0.575 0.601 0.875 0.500 O 1.460 9 residues pruned to eliminate duplicates Y: 10 9.089 1.644 0.338 0.724 1.000 0.444 CA 1.126 10 residues pruned to eliminate duplicates Z: 8 6.764 1.606 0.506 0.635 1.000 0.714 CB 0.931 Z: 15 10.450 1.733 0.576 0.493 0.929 0.786 CA 1.108 Z: 10 12.209 1.891 0.228 0.892 1.000 0.778 CB 1.258 10 residues pruned to eliminate duplicates Z: 22 17.381 1.709 0.750 0.627 0.952 0.619 CB 1.182 13 residues pruned to eliminate duplicates Z: 12 5.181 1.431 0.457 0.422 0.818 0.545 CB 0.993 Z: 10 6.522 1.467 0.555 0.484 0.778 0.556 CB 1.245 10 residues pruned to eliminate duplicates Z: 12 15.315 1.698 0.602 0.896 1.000 0.818 CA 1.216 13 residues pruned to eliminate duplicates Z: 17 5.134 1.579 0.288 0.324 0.812 0.562 CB 0.943 Z: 8 3.281 1.800 0.311 0.400 0.714 0.429 CA 0.818 7 residues pruned to eliminate duplicates Z: 17 13.786 1.708 0.728 0.902 1.000 0.750 CB 0.833 20 residues pruned to eliminate duplicates Z: 6 6.679 1.554 0.753 0.688 0.800 0.600 CA 1.154 Z: 9 7.629 1.404 0.641 0.521 1.000 0.625 CA 1.146 Z: 23 11.746 1.570 0.577 0.477 0.955 0.682 CA 1.084 14 residues pruned to eliminate duplicates Z: 7 4.465 1.385 0.755 0.472 1.000 0.667 CA 0.771 Z: 8 3.227 1.442 0.340 0.593 0.857 0.286 CB 0.674 Z: 6 3.339 1.589 0.083 0.467 1.000 0.800 CB 0.897 Z: 11 12.919 1.771 0.522 0.909 1.000 1.000 CB 1.076 11 residues pruned to eliminate duplicates Z: 8 3.380 1.502 0.211 0.299 1.000 0.571 CB 0.878 Z: 14 11.646 1.580 0.319 0.889 1.000 0.846 CB 1.116 14 residues pruned to eliminate duplicates Z: 11 9.894 1.660 0.125 0.895 1.000 1.000 CB 1.201 11 residues pruned to eliminate duplicates Z: 14 4.497 1.378 0.328 0.316 0.769 0.769 O 1.086 9 residues pruned to eliminate duplicates Z: 9 2.651 1.529 0.196 0.255 0.750 0.250 CB 0.905 Z: 18 19.094 1.695 0.674 0.884 1.000 0.647 CB 1.180 18 residues pruned to eliminate duplicates Z: 7 4.955 1.417 0.378 0.581 1.000 0.667 CA 0.958 6 residues pruned to eliminate duplicates Z: 10 4.073 1.547 0.094 0.441 0.889 0.556 CB 0.959 4 residues pruned to eliminate duplicates Z: 9 13.656 1.926 0.658 0.885 1.000 0.875 CB 1.092 9 residues pruned to eliminate duplicates Z: 10 7.231 1.655 0.406 0.477 1.000 0.333 CA 1.061 10 residues pruned to eliminate duplicates Z: 8 6.635 1.579 0.390 0.606 0.857 0.571 CB 1.206 Z: 16 8.585 1.664 0.873 0.314 0.867 0.400 CB 1.008 15 residues pruned to eliminate duplicates Z: 9 6.592 1.508 0.734 0.558 0.875 0.625 CB 0.963 Z: 10 4.086 1.612 0.673 0.315 0.778 0.444 CB 0.797 9 residues pruned to eliminate duplicates Z: 9 2.287 1.534 -0.057 0.215 0.750 0.375 CB 1.042 9 residues pruned to eliminate duplicates Z: 9 4.772 1.529 0.588 0.421 0.750 0.500 CB 1.006 Z: 7 4.991 1.636 0.258 0.386 0.833 0.500 O 1.341 Z: 8 3.328 1.610 0.199 0.269 0.857 0.286 CB 0.989 Z: 21 15.036 1.764 0.579 0.616 0.900 0.650 CA 1.202 21 residues pruned to eliminate duplicates Z: 11 14.324 1.650 0.649 0.897 1.000 0.600 CA 1.191 11 residues pruned to eliminate duplicates Z: 23 8.420 1.581 0.459 0.424 0.818 0.227 CB 1.029 23 residues pruned to eliminate duplicates Z: 7 2.377 1.467 0.181 0.293 0.667 0.333 C 1.061 Z: 6 7.951 1.725 0.393 0.647 1.000 0.800 CA 1.290 5 residues pruned to eliminate duplicates Z: 12 11.996 1.491 0.682 0.653 1.000 0.727 CA 1.251 11 residues pruned to eliminate duplicates Z: 8 4.154 1.312 0.665 0.429 0.714 0.429 CA 1.083 Z: 11 13.072 1.625 0.568 0.885 1.000 1.000 CA 1.172 11 residues pruned to eliminate duplicates Z: 14 7.291 1.637 0.532 0.408 0.923 0.462 CB 0.963 14 residues pruned to eliminate duplicates Z: 6 3.687 1.315 0.667 0.779 1.000 1.000 CA 0.588 4 residues pruned to eliminate duplicates Z: 7 3.866 1.447 0.100 0.497 1.000 0.500 C 0.995 Z: 10 5.856 1.469 0.298 0.514 0.889 0.667 CB 1.136 Z: 6 8.297 1.797 0.650 0.685 1.000 0.800 CA 1.056 5 residues pruned to eliminate duplicates Z: 6 3.488 1.325 0.403 0.527 1.000 0.800 CA 0.817 Z: 6 3.075 1.387 0.681 0.302 0.800 0.400 CA 0.919 Z: 11 7.619 1.661 0.600 0.576 0.800 0.600 CB 1.053 16 residues pruned to eliminate duplicates Z: 10 5.715 1.445 0.385 0.469 0.889 0.556 CB 1.105 7 residues pruned to eliminate duplicates Z: 10 7.904 1.569 0.740 0.594 0.889 0.889 CA 0.992 10 residues pruned to eliminate duplicates Z: 9 6.386 1.726 1.132 0.532 0.875 0.625 CB 0.679 Z: 6 6.625 1.633 0.379 0.567 1.000 0.800 CB 1.233 Z: 8 6.740 1.666 0.411 0.609 0.857 0.714 CB 1.140 6 residues pruned to eliminate duplicates Z: 11 4.035 1.421 0.335 0.312 0.800 0.400 CA 1.035 11 residues pruned to eliminate duplicates 7 1.885 1.375 0.305 0.349 0.833 0.667 CB 0.606 ? Z: 6 2.178 1.266 0.365 0.307 0.800 0.600 CA 0.873 Z: 11 5.577 1.483 0.479 0.406 0.900 0.400 CB 0.987 6 1.323 1.432 -0.253 0.289 0.800 0.600 CB 0.876 ? Z: 6 2.565 1.511 -0.006 0.478 0.800 0.800 O 0.976 Z: 11 5.486 1.539 0.416 0.416 1.000 0.700 CB 0.869 4 residues pruned to eliminate duplicates Z: 6 5.048 1.400 0.708 0.273 1.000 0.600 CB 1.222 Z: 11 12.720 1.778 0.634 0.875 1.000 0.800 CB 1.007 11 residues pruned to eliminate duplicates Z: 13 5.890 1.363 0.687 0.314 0.833 0.667 N 1.090 6 0.867 1.431 0.391 0.299 0.600 0.600 CB 0.406 ? Z: 7 3.386 1.476 0.204 0.428 1.000 0.667 CB 0.838 Z: 6 2.293 1.373 0.350 0.414 0.600 0.400 CB 1.009 Z: 13 6.829 1.476 0.858 0.299 0.833 0.583 CB 1.080 7 residues pruned to eliminate duplicates Z: 8 2.810 1.421 0.173 0.284 1.000 0.571 CB 0.813 8 residues pruned to eliminate duplicates Z: 7 2.660 1.439 0.122 0.522 0.667 0.667 CA 0.988 7 residues pruned to eliminate duplicates Z: 17 18.318 1.731 0.707 0.869 1.000 0.500 CB 1.133 17 residues pruned to eliminate duplicates Z: 8 2.973 1.274 0.270 0.309 0.857 0.429 C 1.001 Z: 8 5.072 1.401 0.446 0.351 1.000 0.714 CB 1.113 8 residues pruned to eliminate duplicates Z: 11 6.012 1.731 0.454 0.399 0.900 0.600 CB 0.933 11 residues pruned to eliminate duplicates 7 1.570 1.445 0.301 0.425 0.667 0.500 CB 0.553 ? Z: 11 3.094 1.493 0.579 0.184 0.800 0.600 CB 0.759 Z: 10 7.014 1.687 0.378 0.653 0.778 0.667 CB 1.122 10 residues pruned to eliminate duplicates Z: 6 2.548 1.276 0.407 0.299 0.800 0.600 CB 0.993 6 1.594 1.650 0.213 0.378 0.800 0.600 CB 0.507 ? Z: 7 3.995 1.581 0.048 0.418 0.833 0.500 N 1.287 6 1.724 1.490 -0.026 0.347 0.600 0.400 O 1.044 ? Z: 12 6.250 1.665 0.631 0.202 0.727 0.364 CA 1.358 12 residues pruned to eliminate duplicates Z: 9 2.407 1.420 0.488 0.366 0.500 0.500 CB 0.930 9 residues pruned to eliminate duplicates Z: 6 3.279 1.435 0.550 0.460 0.800 0.800 N 0.858 Z: 9 3.196 1.529 0.341 0.297 0.625 0.125 CA 1.107 7 residues pruned to eliminate duplicates Z: 10 3.625 1.285 0.207 0.493 0.778 0.556 CB 1.009 Z: 6 3.083 1.342 0.400 0.555 0.800 0.400 N 0.870 Z: 8 2.494 1.378 0.517 0.146 1.000 0.429 CB 0.698 Z: 14 4.749 1.288 0.753 0.271 0.769 0.462 N 0.984 14 residues pruned to eliminate duplicates Z: 7 3.291 1.546 0.442 0.411 0.833 0.333 CB 0.794 7 residues pruned to eliminate duplicates Z: 6 5.723 1.367 0.903 0.520 1.000 0.600 N 0.965 Z: 12 4.913 1.380 0.469 0.425 0.818 0.364 CB 0.965 12 residues pruned to eliminate duplicates Z: 11 8.207 1.572 0.850 0.434 0.900 0.900 CB 1.062 9 residues pruned to eliminate duplicates Z: 10 5.812 1.489 0.541 0.503 0.889 0.667 CB 0.947 10 residues pruned to eliminate duplicates Z: 7 7.019 1.612 0.735 0.559 0.833 0.667 CB 1.161 5 residues pruned to eliminate duplicates Z: 10 6.188 1.639 0.909 0.319 0.889 0.222 CA 0.906 Z: 8 7.530 1.472 0.611 0.681 1.000 0.714 CA 1.016 10 residues pruned to eliminate duplicates Z: 7 9.509 1.622 0.780 0.842 1.000 0.833 CA 1.002 Z: 6 5.244 1.474 0.865 0.487 1.000 1.000 CB 0.864 Z: 6 3.716 1.550 0.531 0.286 0.800 0.600 CB 1.114 Z: 16 7.771 1.513 0.439 0.895 0.933 0.800 CA 0.708 Z: 6 3.698 1.577 0.362 0.609 1.000 0.800 CA 0.694 6 residues pruned to eliminate duplicates Z: 8 8.050 1.642 0.680 0.580 0.857 0.857 CA 1.192 Z: 11 4.592 1.455 0.663 0.373 0.700 0.300 CA 0.983 Z: 6 2.211 1.323 0.134 0.100 1.000 0.800 CB 1.099 Z: 17 15.556 1.677 0.392 0.918 1.000 0.625 CA 1.174 15 residues pruned to eliminate duplicates Z: 6 4.180 1.692 0.506 0.618 0.800 0.600 CB 0.820 6 residues pruned to eliminate duplicates 6 1.879 1.387 0.284 0.309 0.600 0.400 CA 0.973 ? Z: 11 3.548 1.586 0.371 0.309 0.700 0.600 CB 0.911 8 residues pruned to eliminate duplicates Z: 12 6.891 1.601 0.531 0.358 0.818 0.545 CA 1.207 9 residues pruned to eliminate duplicates Z: 13 9.639 1.611 0.485 0.872 0.833 0.500 CB 1.018 13 residues pruned to eliminate duplicates Z: 6 2.465 1.321 0.151 0.438 0.800 0.600 CB 0.966 4 residues pruned to eliminate duplicates Z: 7 2.551 1.617 0.527 0.495 0.667 0.500 CB 0.636 Z: 6 3.677 1.147 0.686 0.837 1.000 0.600 CA 0.636 Z: 6 4.422 1.524 0.692 0.297 1.000 1.000 C 0.962 Z: 6 2.181 1.117 0.350 0.815 0.800 0.400 N 0.614 Z: 12 11.692 1.703 0.753 0.642 0.909 0.636 CA 1.138 14 residues pruned to eliminate duplicates Z: 7 2.312 1.318 0.183 0.384 0.667 0.333 O 1.027 7 residues pruned to eliminate duplicates 7 1.170 1.276 0.656 0.215 0.500 0.167 CB 0.632 ? 6 1.720 1.346 0.003 0.288 0.800 0.600 C 0.904 ? Z: 7 4.009 1.319 0.604 0.752 0.667 0.500 CA 0.927 5 residues pruned to eliminate duplicates Z: 12 13.337 1.788 0.506 0.889 1.000 0.727 CA 1.076 11 residues pruned to eliminate duplicates Z: 10 12.262 1.737 0.444 0.810 1.000 0.444 CA 1.244 10 residues pruned to eliminate duplicates Z: 8 2.541 1.348 0.604 0.309 0.714 0.571 O 0.768 Z: 7 5.235 1.389 0.347 0.614 1.000 0.667 O 1.025 7 residues pruned to eliminate duplicates Z: 10 3.358 1.540 0.182 0.438 0.667 0.556 CB 0.983 Z: 6 3.062 1.189 0.693 0.812 0.800 0.600 CB 0.648 Z: 7 4.105 1.367 0.881 0.410 0.833 0.500 CB 0.859 Z: 6 3.598 1.481 0.512 0.291 0.800 0.400 CB 1.136 6 1.288 1.065 -0.068 0.460 0.800 0.600 CA 0.755 ? Z: 9 2.824 1.518 0.462 0.297 0.875 0.250 CA 0.645 9 residues pruned to eliminate duplicates Z: 6 3.804 1.567 0.083 0.557 1.000 0.800 CB 0.949 5 residues pruned to eliminate duplicates Z: 7 3.497 1.466 0.636 0.571 0.667 0.500 CB 0.834 Z: 8 4.214 1.425 0.166 0.846 1.000 0.857 CB 0.712 7 residues pruned to eliminate duplicates 6 1.415 1.114 -0.181 0.573 0.800 0.400 CA 0.808 ? Z: 9 12.551 1.668 0.668 0.735 1.000 0.625 CB 1.291 9 residues pruned to eliminate duplicates Z: 9 4.674 1.663 0.202 0.432 0.750 0.500 CA 1.183 7 residues pruned to eliminate duplicates 6 1.340 1.349 0.567 0.517 0.600 0.600 CB 0.465 ? Z: 9 6.686 1.429 0.604 0.603 0.875 0.875 CA 1.069 8 residues pruned to eliminate duplicates Z: 16 16.089 1.614 0.943 0.852 1.000 0.533 CB 0.980 17 residues pruned to eliminate duplicates 6 1.749 1.187 0.545 0.566 0.800 0.400 C 0.500 ? Z: 16 11.780 1.568 0.606 0.716 0.933 0.600 CB 1.064 16 residues pruned to eliminate duplicates Z: 6 2.679 1.592 0.454 0.399 0.600 0.600 CA 0.960 6 residues pruned to eliminate duplicates Z: 9 9.947 1.463 0.739 0.857 1.000 1.000 CB 1.019 9 residues pruned to eliminate duplicates Z: 7 3.276 1.432 0.158 0.523 1.000 0.500 CB 0.788 Z: 6 3.497 1.372 0.535 0.279 1.000 0.600 CB 0.953 6 residues pruned to eliminate duplicates Z: 9 2.942 1.365 0.315 0.350 0.750 0.375 CB 0.909 7 residues pruned to eliminate duplicates 9 1.643 1.419 0.465 0.290 0.875 0.625 CB 0.404 ? Z: 7 3.091 1.334 0.589 0.249 0.833 0.500 CB 0.953 Z: 6 2.111 1.211 0.688 0.298 0.800 0.600 CB 0.724 Z: 7 2.943 1.487 0.473 0.462 0.833 0.667 CB 0.684 7 residues pruned to eliminate duplicates Z: 6 2.095 1.200 0.204 0.381 0.800 0.400 C 0.920 Z: 20 15.228 1.446 0.540 0.918 1.000 0.579 CA 1.106 16 residues pruned to eliminate duplicates Z: 7 2.264 1.278 0.137 0.306 1.000 0.333 CB 0.789 Z: 11 3.115 1.421 0.102 0.290 0.900 0.500 CB 0.885 Z: 9 3.076 1.426 0.079 0.218 0.875 0.500 N 1.126 Z: 7 6.251 1.484 0.482 0.398 1.000 0.667 CB 1.291 7 residues pruned to eliminate duplicates 6 1.422 1.179 0.312 0.335 0.800 0.600 CB 0.615 ? Z: 9 2.382 1.180 0.251 0.323 0.875 0.500 CB 0.792 Z: 6 3.979 1.535 1.011 0.547 0.800 0.600 CB 0.688 Z: 9 3.015 1.409 0.399 0.313 0.875 0.250 CB 0.760 9 residues pruned to eliminate duplicates Z: 13 6.918 1.546 0.891 0.849 1.000 0.667 CA 0.506 14 residues pruned to eliminate duplicates Z: 9 4.783 1.492 0.212 0.479 0.875 0.375 N 1.091 Z: 8 5.167 1.470 -0.056 0.722 1.000 0.857 CB 1.152 6 0.998 1.175 0.596 0.100 0.600 0.200 CA 0.661 ? 6 1.196 1.089 0.324 0.551 0.800 0.600 CB 0.441 ? Z: 8 9.701 1.592 0.967 0.865 1.000 0.571 CB 0.858 9 residues pruned to eliminate duplicates Z: 16 9.739 1.602 0.716 0.744 0.733 0.667 CB 1.003 16 residues pruned to eliminate duplicates 7 1.800 1.250 0.065 0.241 0.833 0.333 N 0.894 ? Z: 9 5.274 1.314 0.600 0.534 1.000 0.375 N 0.858 7 1.964 1.276 0.315 0.234 0.833 0.500 CB 0.781 ? 7 1.965 1.062 0.199 0.353 0.833 0.333 CA 0.885 ? Z: 7 2.277 1.314 0.151 0.282 0.833 0.333 CB 0.943 8 1.736 1.306 0.071 0.385 0.714 0.429 N 0.743 ? Z: 7 3.319 1.287 0.513 0.413 0.833 0.333 C 0.915 Z: 7 3.978 1.288 0.346 0.762 0.833 0.833 CB 0.891 Z: 13 10.205 1.380 1.123 0.629 0.750 0.667 N 1.187 13 residues pruned to eliminate duplicates Z: 6 2.814 1.351 0.149 0.391 1.000 0.600 CB 0.910 Z: 7 4.992 1.322 0.320 0.690 1.000 1.000 CB 0.981 7 residues pruned to eliminate duplicates 6 1.640 1.630 0.164 0.280 0.400 0.200 CB 1.239 ? 6 1.827 1.094 -0.235 0.537 1.000 0.800 N 0.942 ? Z: 8 4.361 1.451 0.237 0.490 0.857 0.714 CB 1.082 8 1.438 1.200 0.499 0.071 0.571 0.429 CB 0.926 ? Z: 11 6.170 1.462 0.263 0.855 1.000 0.600 CA 0.779 11 residues pruned to eliminate duplicates Z: 7 6.624 1.576 0.363 0.649 1.000 0.833 CB 1.095 11 residues pruned to eliminate duplicates Z: 8 4.466 1.465 0.766 0.389 0.857 0.714 CB 0.857 8 residues pruned to eliminate duplicates Z: 9 2.845 1.261 0.372 0.263 0.750 0.375 CB 1.017 Z: 10 3.749 1.364 0.225 0.519 0.778 0.667 CB 0.944 10 residues pruned to eliminate duplicates Z: 6 2.871 1.406 0.197 0.389 0.800 0.400 CB 1.072 Z: 6 2.827 1.434 0.574 0.101 0.800 0.400 N 1.166 6 residues pruned to eliminate duplicates Z: 6 2.687 1.297 0.482 0.298 0.800 0.600 O 0.979 Z: 9 5.248 1.610 0.195 0.408 1.000 0.500 CB 1.062 Z: 7 2.668 1.398 0.201 0.393 0.833 0.333 CA 0.872 Z: 6 3.074 1.405 0.258 0.485 0.800 0.600 CA 0.987 5 residues pruned to eliminate duplicates Z: 6 5.483 1.368 1.033 0.820 1.000 0.600 CB 0.668 6 residues pruned to eliminate duplicates Z: 8 3.037 1.301 0.279 0.572 0.714 0.429 CA 0.901 8 residues pruned to eliminate duplicates Z: 12 5.563 1.546 0.394 0.435 0.909 0.636 CB 0.915 11 residues pruned to eliminate duplicates Z: 8 9.659 1.458 0.722 0.742 1.000 0.714 C 1.171 8 residues pruned to eliminate duplicates Z: 7 4.618 1.230 0.526 0.471 1.000 0.500 CA 1.034 Z: 6 4.460 1.320 0.227 0.583 1.000 0.400 C 1.136 Z: 6 3.802 1.320 0.440 0.816 1.000 0.800 CB 0.680 6 residues pruned to eliminate duplicates Z: 6 2.807 1.438 0.343 0.294 0.800 0.600 CB 1.023 433 residues left after pruning, divided into chains as follows: A: 8 B: 9 C: 8 D: 6 E: 17 F: 8 G: 10 H: 13 I: 16 J: 19 K: 9 L: 9 M: 6 N: 8 O: 6 P: 6 Q: 14 R: 20 S: 11 T: 15 U: 29 V: 9 W: 30 X: 9 Y: 11 Z: 6 Z: 15 Z: 18 Z: 9 Z: 8 Z: 8 Z: 9 Z: 11 Z: 11 Z: 6 Z: 13 Z: 13 CC for partial structure against native data = 14.86 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.382, Connect. = 0.658 for dens.mod. cycle 1 = 0.300, Contrast = 0.462, Connect. = 0.689 for dens.mod. cycle 2 = 0.300, Contrast = 0.537, Connect. = 0.725 for dens.mod. cycle 3 = 0.300, Contrast = 0.553, Connect. = 0.734 for dens.mod. cycle 4 = 0.300, Contrast = 0.566, Connect. = 0.741 for dens.mod. cycle 5 = 0.300, Contrast = 0.573, Connect. = 0.746 for dens.mod. cycle 6 = 0.300, Contrast = 0.579, Connect. = 0.750 for dens.mod. cycle 7 = 0.300, Contrast = 0.583, Connect. = 0.753 for dens.mod. cycle 8 = 0.300, Contrast = 0.585, Connect. = 0.755 for dens.mod. cycle 9 = 0.300, Contrast = 0.587, Connect. = 0.756 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6634 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1175 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 33.739 2.082 0.699 0.913 1.000 0.762 CB 1.473 B: 19 33.054 2.199 0.451 0.942 1.000 0.944 CA 1.693 C: 12 19.105 2.037 0.750 0.614 1.000 0.727 CA 1.450 D: 21 34.083 2.159 0.577 0.874 0.950 0.800 CB 1.715 19 residues pruned to eliminate duplicates E: 20 34.488 2.155 0.707 0.890 1.000 0.947 CB 1.547 22 residues pruned to eliminate duplicates F: 21 22.926 2.146 0.432 0.884 0.950 0.750 CB 1.268 G: 13 8.436 1.734 0.558 0.418 0.667 0.500 CB 1.474 H: 20 16.066 2.175 0.451 0.382 0.842 0.526 CA 1.572 I: 10 11.214 2.021 0.130 0.879 1.000 0.667 CB 1.187 J: 23 28.816 2.060 0.600 0.894 0.909 0.636 CB 1.471 22 residues pruned to eliminate duplicates K: 22 35.639 2.123 0.920 0.919 1.000 0.619 CB 1.345 20 residues pruned to eliminate duplicates L: 12 15.714 1.891 0.743 0.566 1.000 0.727 CB 1.348 M: 9 18.309 2.132 0.419 0.848 1.000 0.750 CB 1.587 10 residues pruned to eliminate duplicates N: 22 27.118 2.106 0.499 0.921 0.952 0.810 CB 1.385 22 residues pruned to eliminate duplicates O: 22 26.504 2.008 0.779 0.908 0.905 0.524 CB 1.270 21 residues pruned to eliminate duplicates P: 15 21.718 2.246 0.330 0.912 1.000 0.571 CB 1.376 15 residues pruned to eliminate duplicates Q: 21 32.845 2.124 0.533 0.894 1.000 0.850 CA 1.618 21 residues pruned to eliminate duplicates R: 18 29.143 2.062 0.609 0.891 1.000 0.941 CB 1.532 18 residues pruned to eliminate duplicates S: 21 20.022 1.845 0.801 0.813 0.950 0.600 CA 1.080 T: 7 11.462 1.956 0.349 0.658 1.000 0.833 CB 1.531 7 residues pruned to eliminate duplicates U: 9 8.538 1.966 0.152 0.586 0.875 0.750 CA 1.403 V: 14 22.269 2.146 0.844 0.907 0.923 0.538 CB 1.202 14 residues pruned to eliminate duplicates W: 19 23.210 2.015 0.385 0.892 0.944 0.833 CB 1.490 19 residues pruned to eliminate duplicates X: 13 23.719 2.214 0.625 0.862 0.917 0.750 CA 1.524 13 residues pruned to eliminate duplicates Y: 19 35.884 2.209 0.524 0.925 1.000 0.722 CB 1.763 19 residues pruned to eliminate duplicates Z: 19 19.463 2.175 0.333 0.854 0.944 0.667 CB 1.238 19 residues pruned to eliminate duplicates Z: 15 21.454 2.132 0.987 0.907 0.786 0.500 CA 1.225 17 residues pruned to eliminate duplicates Z: 18 14.372 2.020 0.418 0.417 0.941 0.529 CB 1.410 Z: 23 30.405 2.043 0.540 0.893 0.955 0.636 CB 1.549 23 residues pruned to eliminate duplicates Z: 22 37.260 2.080 0.644 0.936 1.000 0.905 CB 1.656 22 residues pruned to eliminate duplicates Z: 21 24.329 2.103 0.505 0.876 1.000 0.650 CB 1.250 21 residues pruned to eliminate duplicates Z: 10 18.961 2.011 0.787 0.619 1.000 0.778 CA 1.572 10 residues pruned to eliminate duplicates Z: 20 18.656 2.186 0.478 0.458 0.895 0.684 CA 1.546 20 residues pruned to eliminate duplicates Z: 20 20.662 2.039 0.235 0.897 1.000 0.789 CB 1.348 20 residues pruned to eliminate duplicates Z: 22 31.179 2.098 0.630 0.891 0.952 0.619 CB 1.503 23 residues pruned to eliminate duplicates Z: 13 25.545 2.293 0.708 0.887 0.917 0.667 CA 1.481 13 residues pruned to eliminate duplicates Z: 25 18.381 1.898 0.666 0.424 0.875 0.625 CB 1.467 Z: 11 13.785 1.920 0.640 0.595 1.000 0.700 CA 1.265 11 residues pruned to eliminate duplicates Z: 11 15.200 1.955 0.819 0.537 0.800 0.700 CA 1.630 10 residues pruned to eliminate duplicates Z: 20 10.729 1.791 0.399 0.401 0.789 0.684 N 1.382 Z: 20 29.991 2.190 0.518 0.922 1.000 0.842 CB 1.455 20 residues pruned to eliminate duplicates Z: 14 10.760 1.970 0.361 0.446 0.846 0.615 CA 1.390 13 residues pruned to eliminate duplicates Z: 10 13.984 1.898 0.785 0.566 0.889 0.667 CB 1.453 10 residues pruned to eliminate duplicates Z: 20 23.807 1.909 0.928 0.892 0.947 0.737 CA 1.125 15 residues pruned to eliminate duplicates Z: 15 10.844 1.883 0.503 0.462 0.857 0.643 CB 1.242 15 residues pruned to eliminate duplicates Z: 11 8.707 1.867 0.389 0.440 0.900 0.400 CB 1.255 Z: 12 7.735 1.770 0.637 0.420 0.818 0.455 CB 1.069 Z: 19 5.935 1.848 0.210 0.334 0.722 0.444 CB 1.039 19 residues pruned to eliminate duplicates Z: 22 28.751 2.015 0.661 0.872 1.000 0.619 CB 1.366 22 residues pruned to eliminate duplicates Z: 13 16.885 1.998 0.416 0.883 1.000 0.667 CB 1.246 13 residues pruned to eliminate duplicates Z: 15 18.569 1.953 0.597 0.839 0.786 0.571 CB 1.512 15 residues pruned to eliminate duplicates Z: 17 10.839 2.033 0.208 0.442 0.875 0.500 CB 1.338 17 residues pruned to eliminate duplicates Z: 9 17.396 2.040 0.661 0.831 1.000 0.500 CB 1.363 9 residues pruned to eliminate duplicates Z: 10 9.823 1.751 0.676 0.484 0.889 0.556 CA 1.276 Z: 17 10.786 2.061 0.135 0.432 0.875 0.625 CB 1.413 17 residues pruned to eliminate duplicates Z: 27 15.464 1.986 0.669 0.340 0.808 0.615 CB 1.349 27 residues pruned to eliminate duplicates Z: 17 10.842 2.025 0.478 0.383 0.750 0.438 CB 1.368 17 residues pruned to eliminate duplicates Z: 15 30.446 2.238 0.823 0.913 1.000 0.786 CB 1.412 15 residues pruned to eliminate duplicates Z: 11 17.643 1.970 0.767 0.857 1.000 0.600 CB 1.181 11 residues pruned to eliminate duplicates Z: 18 10.966 1.968 0.486 0.346 0.824 0.529 CB 1.305 10 residues pruned to eliminate duplicates Z: 7 4.937 1.820 -0.300 0.910 1.000 1.000 CA 1.122 5 residues pruned to eliminate duplicates Z: 17 13.112 1.853 0.552 0.420 0.875 0.438 CB 1.416 17 residues pruned to eliminate duplicates Z: 6 5.175 1.809 0.248 0.445 0.800 0.400 N 1.356 Z: 6 11.570 2.028 0.649 0.751 1.000 0.800 CB 1.238 Z: 13 6.848 1.725 0.611 0.353 0.667 0.583 CA 1.250 13 residues pruned to eliminate duplicates Z: 17 19.864 1.977 0.473 0.864 1.000 0.812 CB 1.251 17 residues pruned to eliminate duplicates Z: 19 21.560 1.884 0.830 0.911 0.889 0.611 CA 1.175 19 residues pruned to eliminate duplicates Z: 16 9.977 2.123 0.214 0.416 0.800 0.533 CB 1.364 16 residues pruned to eliminate duplicates Z: 20 28.358 2.134 0.537 0.922 0.947 0.789 CB 1.472 20 residues pruned to eliminate duplicates Z: 16 15.159 1.990 0.328 0.642 0.933 0.733 CA 1.389 16 residues pruned to eliminate duplicates Z: 6 8.254 1.906 0.158 0.871 1.000 1.000 CB 1.220 6 residues pruned to eliminate duplicates Z: 8 9.526 1.924 0.754 0.377 0.714 0.571 CB 1.702 Z: 11 10.088 1.862 0.187 0.461 1.000 0.400 CA 1.502 Z: 11 16.952 2.047 0.744 0.617 1.000 0.700 CA 1.345 13 residues pruned to eliminate duplicates Z: 9 5.079 1.926 0.312 0.366 0.750 0.625 CB 1.094 9 residues pruned to eliminate duplicates Z: 20 37.898 2.165 0.704 0.939 1.000 0.842 CB 1.637 20 residues pruned to eliminate duplicates Z: 15 10.159 1.902 0.471 0.409 0.714 0.500 CB 1.495 Z: 9 19.115 2.130 0.600 0.683 1.000 1.000 CB 1.677 9 residues pruned to eliminate duplicates Z: 19 25.462 1.900 0.862 0.907 1.000 0.667 CA 1.206 19 residues pruned to eliminate duplicates Z: 33 16.193 2.028 0.471 0.274 0.875 0.469 CB 1.417 22 residues pruned to eliminate duplicates Z: 8 7.752 1.688 0.620 0.399 1.000 0.429 CA 1.193 Z: 18 40.997 2.222 0.783 0.933 1.000 0.706 CB 1.752 19 residues pruned to eliminate duplicates Z: 9 6.834 1.812 0.468 0.617 0.875 0.500 CB 0.930 Z: 15 11.371 2.012 0.419 0.457 0.857 0.571 CB 1.298 15 residues pruned to eliminate duplicates Z: 31 33.800 2.132 0.624 0.744 0.967 0.767 CA 1.482 21 residues pruned to eliminate duplicates Z: 7 6.441 1.900 0.321 0.473 0.833 0.667 CA 1.293 Z: 17 12.277 1.829 0.653 0.379 0.875 0.500 CA 1.320 Z: 7 10.061 2.039 0.767 0.467 0.833 0.500 CB 1.415 7 residues pruned to eliminate duplicates Z: 12 8.508 1.961 0.338 0.466 0.818 0.727 CB 1.236 12 residues pruned to eliminate duplicates Z: 21 36.462 2.141 0.891 0.908 1.000 0.650 CB 1.431 21 residues pruned to eliminate duplicates Z: 20 36.490 2.155 0.695 0.925 1.000 0.895 CA 1.608 20 residues pruned to eliminate duplicates Z: 11 15.088 1.897 0.622 0.703 1.000 0.700 CB 1.289 11 residues pruned to eliminate duplicates Z: 11 12.118 2.151 0.364 0.502 0.800 0.700 CB 1.629 11 residues pruned to eliminate duplicates Z: 21 22.860 2.205 0.636 0.541 0.900 0.700 CB 1.512 33 residues pruned to eliminate duplicates Z: 9 12.622 1.885 0.590 0.845 0.875 0.625 CB 1.265 5 residues pruned to eliminate duplicates Z: 17 10.337 1.999 0.491 0.392 0.750 0.438 CB 1.296 17 residues pruned to eliminate duplicates Z: 21 34.572 2.152 0.562 0.906 1.000 0.800 CA 1.636 21 residues pruned to eliminate duplicates Z: 9 13.177 1.913 0.510 0.881 1.000 1.000 CA 1.168 9 residues pruned to eliminate duplicates Z: 22 37.584 2.065 1.001 0.909 0.952 0.476 CB 1.480 22 residues pruned to eliminate duplicates Z: 23 15.943 2.034 0.529 0.461 0.818 0.455 CB 1.390 22 residues pruned to eliminate duplicates Z: 13 8.589 1.982 0.427 0.315 0.750 0.500 CA 1.433 Z: 12 14.605 1.913 0.870 0.611 0.818 0.636 CB 1.354 10 residues pruned to eliminate duplicates Z: 20 26.080 2.066 0.627 0.860 0.947 0.684 CB 1.382 20 residues pruned to eliminate duplicates Z: 7 9.347 2.261 0.586 0.460 0.833 0.500 CB 1.330 8 residues pruned to eliminate duplicates Z: 6 8.968 2.090 0.632 0.600 0.800 0.600 CA 1.336 6 residues pruned to eliminate duplicates Z: 10 11.797 2.045 0.193 0.480 0.889 0.667 CA 1.850 10 residues pruned to eliminate duplicates Z: 14 10.472 1.801 0.508 0.418 0.923 0.538 CB 1.261 14 residues pruned to eliminate duplicates Z: 11 9.967 1.720 0.573 0.494 0.900 0.700 N 1.302 Z: 13 17.665 2.147 0.467 0.596 0.917 0.750 CB 1.611 17 residues pruned to eliminate duplicates Z: 12 13.844 1.960 0.865 0.568 0.909 0.727 CA 1.176 12 residues pruned to eliminate duplicates Z: 32 26.827 2.065 0.556 0.601 0.903 0.806 CA 1.508 32 residues pruned to eliminate duplicates Z: 9 6.465 1.791 0.346 0.522 0.875 0.750 CB 1.060 9 residues pruned to eliminate duplicates Z: 10 9.322 1.857 0.251 0.559 0.889 0.667 N 1.421 9 residues pruned to eliminate duplicates Z: 11 15.222 1.976 0.751 0.623 0.800 0.700 CA 1.549 11 residues pruned to eliminate duplicates Z: 17 10.279 2.067 0.389 0.314 0.812 0.500 CB 1.353 5 residues pruned to eliminate duplicates Z: 7 8.714 1.902 0.066 0.869 1.000 0.667 CB 1.282 7 residues pruned to eliminate duplicates Z: 16 11.450 1.941 0.209 0.897 1.000 1.000 CA 0.901 16 residues pruned to eliminate duplicates Z: 13 5.319 1.615 0.651 0.336 0.750 0.583 CB 0.919 7 residues pruned to eliminate duplicates Z: 13 10.169 1.808 0.544 0.393 0.833 0.667 CB 1.414 13 residues pruned to eliminate duplicates Z: 9 6.322 1.779 0.539 0.402 0.875 0.625 CB 1.034 9 residues pruned to eliminate duplicates Z: 9 7.240 1.696 0.576 0.376 0.750 0.500 N 1.458 Z: 8 12.292 1.883 0.405 0.718 1.000 0.714 CB 1.442 8 residues pruned to eliminate duplicates Z: 12 10.627 1.977 0.505 0.467 0.727 0.727 CB 1.530 14 residues pruned to eliminate duplicates Z: 11 8.289 1.752 0.384 0.464 0.900 0.600 N 1.246 10 residues pruned to eliminate duplicates Z: 10 6.321 1.897 0.229 0.413 0.778 0.444 CB 1.272 15 residues pruned to eliminate duplicates Z: 21 29.593 2.131 0.562 0.920 0.950 0.500 CB 1.473 21 residues pruned to eliminate duplicates Z: 11 6.946 1.781 0.255 0.307 0.900 0.500 CA 1.353 Z: 10 7.003 1.855 0.390 0.452 0.778 0.667 CB 1.223 10 residues pruned to eliminate duplicates Z: 10 11.924 2.061 0.088 0.813 1.000 0.667 CB 1.350 10 residues pruned to eliminate duplicates Z: 10 20.889 1.960 0.728 0.677 1.000 0.889 CB 1.747 14 residues pruned to eliminate duplicates Z: 22 37.185 2.061 0.876 0.909 0.905 0.429 CB 1.646 22 residues pruned to eliminate duplicates Z: 9 6.155 1.705 0.447 0.461 0.875 0.875 CB 1.048 9 residues pruned to eliminate duplicates Z: 10 18.865 2.201 0.635 0.899 0.778 0.667 CB 1.606 10 residues pruned to eliminate duplicates Z: 7 7.241 1.676 0.447 0.639 0.833 0.667 CB 1.285 Z: 13 4.721 1.943 0.244 0.169 0.667 0.417 CB 1.265 13 residues pruned to eliminate duplicates Z: 12 8.385 1.917 0.401 0.394 0.727 0.545 CA 1.449 12 residues pruned to eliminate duplicates Z: 12 10.354 1.975 0.716 0.424 0.818 0.455 CB 1.217 12 residues pruned to eliminate duplicates Z: 17 15.016 2.003 0.508 0.480 0.938 0.562 CB 1.353 17 residues pruned to eliminate duplicates Z: 12 3.994 1.608 -0.028 0.383 0.818 0.545 CB 1.067 12 residues pruned to eliminate duplicates Z: 21 37.413 2.166 0.581 0.947 1.000 1.000 CB 1.688 21 residues pruned to eliminate duplicates Z: 20 35.391 2.161 0.779 0.865 0.947 0.684 CB 1.633 20 residues pruned to eliminate duplicates Z: 36 26.476 2.030 0.429 0.602 0.971 0.571 CB 1.441 34 residues pruned to eliminate duplicates Z: 6 6.826 1.767 0.207 0.606 1.000 0.600 CB 1.294 6 residues pruned to eliminate duplicates Z: 22 32.370 2.066 0.542 0.922 1.000 0.667 CB 1.559 22 residues pruned to eliminate duplicates Z: 7 16.114 2.320 0.123 0.849 1.000 0.667 CA 1.872 7 residues pruned to eliminate duplicates Z: 35 27.958 2.067 0.514 0.639 0.941 0.676 CB 1.429 35 residues pruned to eliminate duplicates Z: 21 36.654 2.142 0.642 0.915 1.000 0.850 CB 1.647 21 residues pruned to eliminate duplicates Z: 13 24.234 2.299 0.871 0.918 0.833 0.333 CB 1.377 13 residues pruned to eliminate duplicates Z: 6 5.831 1.805 0.418 0.651 1.000 0.800 CB 0.885 Z: 11 10.217 1.949 0.410 0.477 0.900 0.600 CA 1.336 Z: 10 3.053 1.933 0.174 0.207 0.889 0.444 CB 0.713 Z: 8 4.836 1.762 0.756 0.327 0.571 0.286 O 1.250 Z: 22 41.487 2.130 0.932 0.943 0.952 0.333 CB 1.600 22 residues pruned to eliminate duplicates Z: 9 6.134 1.669 0.416 0.389 0.875 0.625 CB 1.179 7 residues pruned to eliminate duplicates Z: 11 10.510 1.884 0.710 0.414 0.800 0.600 CB 1.412 7 residues pruned to eliminate duplicates Z: 7 8.576 1.917 0.435 0.769 0.833 0.333 CA 1.203 7 residues pruned to eliminate duplicates Z: 15 9.615 1.864 0.525 0.385 0.857 0.643 CA 1.192 15 residues pruned to eliminate duplicates Z: 21 11.104 1.739 0.777 0.357 0.700 0.450 CA 1.340 21 residues pruned to eliminate duplicates Z: 8 8.990 1.950 0.603 0.616 0.714 0.571 CB 1.364 8 residues pruned to eliminate duplicates Z: 15 14.116 2.074 0.618 0.431 0.786 0.500 CB 1.536 15 residues pruned to eliminate duplicates Z: 12 14.110 1.937 0.842 0.471 0.909 0.727 CB 1.351 17 residues pruned to eliminate duplicates Z: 20 45.557 2.249 0.872 0.913 1.000 0.526 CB 1.757 20 residues pruned to eliminate duplicates Z: 10 8.862 1.950 0.551 0.392 0.778 0.556 CB 1.408 10 residues pruned to eliminate duplicates Z: 7 9.073 1.853 0.507 0.661 0.833 0.833 CB 1.371 7 residues pruned to eliminate duplicates Z: 17 9.299 1.909 0.298 0.445 0.812 0.625 CB 1.222 17 residues pruned to eliminate duplicates Z: 6 7.300 1.842 0.316 0.557 1.000 0.600 CB 1.274 Z: 22 37.202 2.117 0.825 0.895 1.000 0.905 CB 1.507 22 residues pruned to eliminate duplicates Z: 10 16.193 1.754 0.716 0.879 1.000 0.889 CA 1.300 10 residues pruned to eliminate duplicates Z: 9 10.659 2.014 0.333 0.564 1.000 0.875 CA 1.319 9 residues pruned to eliminate duplicates Z: 11 12.252 1.777 0.818 0.651 0.800 0.700 CB 1.302 11 residues pruned to eliminate duplicates Z: 6 8.666 1.884 0.818 0.609 0.800 0.600 C 1.276 6 residues pruned to eliminate duplicates Z: 20 10.434 1.793 0.242 0.369 0.947 0.526 CB 1.306 15 residues pruned to eliminate duplicates Z: 12 6.972 1.711 0.295 0.447 0.909 0.455 CB 1.102 Z: 12 14.701 1.718 0.691 0.777 0.909 0.727 CA 1.314 12 residues pruned to eliminate duplicates Z: 13 11.540 1.796 0.781 0.515 0.917 0.500 CB 1.119 13 residues pruned to eliminate duplicates Z: 19 29.152 2.200 0.581 0.906 0.944 0.611 CB 1.488 19 residues pruned to eliminate duplicates 6 1.895 1.757 -0.147 0.408 0.600 0.400 CB 1.037 ? Z: 15 9.394 1.893 0.344 0.306 0.857 0.357 CB 1.427 10 residues pruned to eliminate duplicates Z: 9 6.505 1.925 0.068 0.529 0.750 0.750 CA 1.449 9 residues pruned to eliminate duplicates Z: 13 6.750 1.927 0.515 0.332 0.667 0.417 CB 1.204 12 residues pruned to eliminate duplicates Z: 11 14.661 1.858 0.618 0.634 1.000 1.000 CB 1.360 11 residues pruned to eliminate duplicates Z: 6 4.710 1.659 0.439 0.457 0.800 0.800 CB 1.152 6 residues pruned to eliminate duplicates Z: 19 7.473 1.707 0.335 0.270 0.889 0.611 CB 1.130 8 residues pruned to eliminate duplicates Z: 11 11.410 2.131 0.521 0.380 0.900 0.500 CA 1.405 11 residues pruned to eliminate duplicates Z: 6 5.493 1.505 0.692 0.744 1.000 0.400 CB 0.776 Z: 20 27.273 2.058 0.723 0.885 1.000 0.684 CB 1.273 20 residues pruned to eliminate duplicates Z: 9 3.864 1.662 0.398 0.193 0.750 0.250 CB 1.131 Z: 18 19.973 1.935 0.724 0.924 1.000 0.765 CA 1.020 21 residues pruned to eliminate duplicates Z: 7 6.361 1.736 0.109 0.534 1.000 0.667 CB 1.304 6 residues pruned to eliminate duplicates Z: 10 9.379 1.772 0.376 0.499 1.000 0.667 N 1.282 10 residues pruned to eliminate duplicates Z: 10 10.597 2.043 0.358 0.522 0.889 0.667 CA 1.402 13 residues pruned to eliminate duplicates Z: 27 18.839 2.070 0.488 0.455 0.885 0.538 CB 1.419 27 residues pruned to eliminate duplicates Z: 7 6.498 1.726 0.501 0.550 1.000 1.000 CB 0.975 7 residues pruned to eliminate duplicates Z: 27 13.446 1.926 0.402 0.336 0.846 0.615 CB 1.380 27 residues pruned to eliminate duplicates Z: 21 31.211 2.169 0.612 0.929 0.950 0.950 CB 1.470 21 residues pruned to eliminate duplicates Z: 6 9.689 2.006 0.960 0.706 0.800 0.600 CB 1.142 6 residues pruned to eliminate duplicates Z: 11 4.725 1.919 0.050 0.458 0.700 0.400 CB 1.105 11 residues pruned to eliminate duplicates Z: 19 11.352 1.826 0.498 0.461 0.833 0.611 CB 1.221 19 residues pruned to eliminate duplicates Z: 19 24.494 2.075 0.329 0.856 1.000 0.722 CA 1.544 19 residues pruned to eliminate duplicates Z: 13 12.796 1.880 0.590 0.493 1.000 0.667 CA 1.244 13 residues pruned to eliminate duplicates Z: 6 2.056 1.493 -0.389 0.569 0.800 0.600 O 1.178 Z: 11 11.617 1.785 0.855 0.629 0.800 0.600 CB 1.229 11 residues pruned to eliminate duplicates Z: 13 7.183 1.894 0.144 0.404 0.750 0.417 CA 1.412 13 residues pruned to eliminate duplicates Z: 10 8.016 1.933 0.446 0.429 0.667 0.556 CB 1.544 10 residues pruned to eliminate duplicates Z: 13 22.074 2.259 0.316 0.884 1.000 0.667 CA 1.549 13 residues pruned to eliminate duplicates Z: 7 8.281 1.728 0.990 0.478 0.833 0.667 N 1.206 6 residues pruned to eliminate duplicates Z: 6 5.747 1.441 1.302 0.492 1.000 0.800 N 0.781 Z: 17 12.322 2.004 0.522 0.373 0.750 0.375 CB 1.543 13 residues pruned to eliminate duplicates Z: 20 15.544 1.833 0.547 0.822 0.895 0.842 CA 1.063 20 residues pruned to eliminate duplicates Z: 9 10.859 1.973 0.508 0.474 1.000 0.750 CA 1.325 9 residues pruned to eliminate duplicates Z: 6 2.955 1.590 0.602 0.182 0.800 0.400 CA 0.951 Z: 17 9.731 1.716 0.333 0.427 0.812 0.562 CB 1.412 17 residues pruned to eliminate duplicates Z: 14 13.904 2.053 0.573 0.466 0.846 0.538 CB 1.460 14 residues pruned to eliminate duplicates Z: 24 16.460 1.983 0.487 0.473 0.826 0.522 CB 1.448 24 residues pruned to eliminate duplicates Z: 11 6.875 1.850 0.571 0.470 0.700 0.600 CB 1.102 11 residues pruned to eliminate duplicates Z: 10 4.320 1.490 0.926 0.491 0.889 0.667 CB 0.570 6 residues pruned to eliminate duplicates Z: 11 12.928 1.928 0.615 0.837 0.800 0.400 CB 1.227 11 residues pruned to eliminate duplicates Z: 16 12.141 1.958 0.507 0.419 0.800 0.600 CA 1.445 15 residues pruned to eliminate duplicates Z: 20 36.634 2.141 0.936 0.899 0.947 0.737 CB 1.530 20 residues pruned to eliminate duplicates Z: 7 5.332 1.503 0.454 0.620 0.833 0.333 CA 1.067 5 residues pruned to eliminate duplicates Z: 30 13.144 1.856 0.478 0.419 0.828 0.517 CB 1.169 15 residues pruned to eliminate duplicates Z: 12 7.113 1.873 0.286 0.436 0.636 0.545 CB 1.494 12 residues pruned to eliminate duplicates Z: 15 10.481 1.830 0.464 0.436 0.857 0.643 CA 1.303 15 residues pruned to eliminate duplicates Z: 9 6.096 1.837 0.100 0.443 0.750 0.500 CB 1.508 9 residues pruned to eliminate duplicates Z: 24 29.939 1.991 0.685 0.877 0.913 0.391 CB 1.480 24 residues pruned to eliminate duplicates Z: 12 12.334 1.935 0.675 0.463 0.909 0.727 CB 1.311 12 residues pruned to eliminate duplicates Z: 19 33.907 2.265 0.835 0.884 0.889 0.500 CB 1.563 19 residues pruned to eliminate duplicates Z: 9 9.685 1.993 0.325 0.516 0.875 0.625 CB 1.458 9 residues pruned to eliminate duplicates Z: 21 22.324 2.013 0.669 0.877 1.000 0.550 CB 1.079 21 residues pruned to eliminate duplicates Z: 6 4.454 1.594 0.227 0.473 0.800 0.600 O 1.308 Z: 7 5.019 1.955 -0.086 0.555 0.833 0.500 CB 1.304 Z: 23 34.771 2.071 0.811 0.886 0.909 0.364 CB 1.569 23 residues pruned to eliminate duplicates Z: 12 11.323 1.914 0.684 0.448 0.818 0.636 CA 1.366 12 residues pruned to eliminate duplicates Z: 21 15.503 1.956 0.513 0.436 0.900 0.600 CB 1.391 22 residues pruned to eliminate duplicates Z: 9 13.079 1.919 0.387 0.785 1.000 0.750 CA 1.352 9 residues pruned to eliminate duplicates Z: 8 11.141 1.882 0.604 0.452 1.000 0.571 CA 1.465 10 residues pruned to eliminate duplicates Z: 13 12.725 1.955 0.651 0.374 0.750 0.417 CB 1.736 13 residues pruned to eliminate duplicates Z: 9 18.237 2.138 0.748 0.555 1.000 0.875 CB 1.635 10 residues pruned to eliminate duplicates Z: 9 2.366 1.282 0.314 0.300 1.000 0.625 CB 0.621 Z: 7 3.142 1.551 0.840 0.560 0.500 0.500 CB 0.848 7 residues pruned to eliminate duplicates Z: 15 17.769 2.126 0.709 0.472 0.929 0.571 CA 1.449 14 residues pruned to eliminate duplicates Z: 8 9.343 2.012 0.433 0.416 1.000 0.571 CB 1.337 8 residues pruned to eliminate duplicates Z: 6 2.316 1.619 -0.148 0.408 0.800 0.400 CB 1.034 Z: 10 10.122 1.749 0.431 0.510 1.000 0.556 CB 1.334 11 residues pruned to eliminate duplicates Z: 21 35.600 2.114 0.619 0.863 1.000 0.550 CB 1.707 21 residues pruned to eliminate duplicates Z: 15 13.869 1.642 0.758 0.481 0.929 0.643 C 1.410 19 residues pruned to eliminate duplicates Z: 22 40.951 2.079 1.007 0.923 1.000 0.667 CB 1.505 22 residues pruned to eliminate duplicates Z: 22 29.414 2.038 0.834 0.891 0.952 0.667 CB 1.296 22 residues pruned to eliminate duplicates Z: 18 16.291 1.897 0.524 0.914 1.000 0.882 CA 0.967 18 residues pruned to eliminate duplicates Z: 9 5.447 1.951 0.005 0.429 0.875 0.375 CB 1.209 6 residues pruned to eliminate duplicates Z: 12 15.400 1.892 0.666 0.568 0.909 0.727 CA 1.517 14 residues pruned to eliminate duplicates Z: 11 6.970 1.814 0.520 0.299 0.700 0.400 CB 1.429 9 residues pruned to eliminate duplicates Z: 11 7.272 1.763 0.338 0.573 0.800 0.500 CB 1.135 10 residues pruned to eliminate duplicates Z: 9 5.887 1.445 0.630 0.419 0.875 0.875 O 1.098 Z: 10 2.414 1.656 0.684 0.208 0.444 0.333 CB 0.916 10 residues pruned to eliminate duplicates Z: 31 30.379 2.078 0.550 0.734 0.933 0.733 CA 1.496 31 residues pruned to eliminate duplicates Z: 10 14.276 1.846 0.800 0.813 0.889 0.556 CA 1.227 10 residues pruned to eliminate duplicates Z: 29 33.791 2.068 0.715 0.704 0.929 0.607 CB 1.611 26 residues pruned to eliminate duplicates Z: 19 13.267 2.034 0.588 0.423 0.778 0.556 CB 1.349 19 residues pruned to eliminate duplicates Z: 7 12.319 1.809 0.904 0.564 1.000 0.833 CA 1.372 7 residues pruned to eliminate duplicates Z: 20 19.895 2.172 0.585 0.435 0.895 0.632 CB 1.584 20 residues pruned to eliminate duplicates Z: 18 18.424 1.981 0.670 0.902 0.882 0.706 CA 1.092 18 residues pruned to eliminate duplicates Z: 12 8.173 1.926 0.136 0.438 1.000 0.727 CB 1.200 12 residues pruned to eliminate duplicates Z: 8 8.956 1.670 0.694 0.492 1.000 0.286 N 1.206 8 residues pruned to eliminate duplicates Z: 7 4.065 1.919 0.125 0.351 0.833 0.500 CA 1.084 Z: 9 7.310 1.697 0.389 0.535 0.875 0.750 CB 1.211 9 residues pruned to eliminate duplicates Z: 19 8.445 1.858 0.353 0.302 0.778 0.444 CB 1.269 19 residues pruned to eliminate duplicates Z: 6 7.213 2.105 0.746 0.668 0.800 0.800 CB 0.939 6 residues pruned to eliminate duplicates Z: 8 4.573 1.331 0.459 0.349 1.000 0.571 CB 1.048 Z: 22 23.114 1.963 0.784 0.902 0.857 0.619 CB 1.198 22 residues pruned to eliminate duplicates Z: 10 3.481 1.453 0.537 0.275 1.000 0.333 CB 0.670 7 residues pruned to eliminate duplicates Z: 8 4.642 1.636 0.234 0.466 0.857 0.286 N 1.050 Z: 7 3.153 1.477 -0.108 0.494 0.833 0.667 C 1.180 Z: 10 7.099 1.820 0.219 0.447 0.889 0.667 CA 1.268 10 residues pruned to eliminate duplicates Z: 9 9.088 1.725 0.386 0.644 0.875 0.750 CA 1.342 12 residues pruned to eliminate duplicates Z: 6 2.915 1.159 0.814 0.447 1.000 0.600 CA 0.655 Z: 11 4.221 1.363 0.368 0.853 0.900 0.600 CA 0.588 13 residues pruned to eliminate duplicates Z: 16 6.843 1.681 0.457 0.368 0.800 0.333 CA 1.039 16 residues pruned to eliminate duplicates Z: 6 3.647 1.834 -0.117 0.634 0.800 0.400 CA 1.111 6 residues pruned to eliminate duplicates Z: 16 10.329 1.918 0.578 0.409 0.667 0.400 CB 1.454 16 residues pruned to eliminate duplicates Z: 14 8.824 1.814 0.489 0.422 0.769 0.462 CA 1.277 14 residues pruned to eliminate duplicates Z: 14 18.612 2.061 0.284 0.857 1.000 0.769 CB 1.438 14 residues pruned to eliminate duplicates Z: 8 2.103 1.367 0.434 0.308 0.571 0.429 N 0.878 Z: 8 10.445 2.031 0.464 0.517 0.857 0.714 CB 1.524 8 residues pruned to eliminate duplicates Z: 10 7.192 1.809 0.045 0.509 0.889 0.556 CA 1.414 10 residues pruned to eliminate duplicates 9 1.900 1.431 -0.244 0.370 0.750 0.500 CB 0.952 ? Z: 8 3.028 1.422 0.382 0.281 0.714 0.286 CB 1.045 Z: 12 7.261 1.681 0.664 0.244 0.727 0.273 N 1.446 12 residues pruned to eliminate duplicates 6 1.805 1.479 0.379 0.297 0.600 0.600 C 0.828 ? Z: 20 15.369 1.872 0.563 0.762 0.842 0.684 CA 1.134 20 residues pruned to eliminate duplicates Z: 8 4.662 1.607 0.613 0.455 0.571 0.429 CB 1.245 Z: 6 2.232 1.561 0.331 0.459 0.800 0.600 CB 0.626 6 residues pruned to eliminate duplicates Z: 8 4.055 1.588 0.071 0.341 0.857 0.571 O 1.249 Z: 6 2.040 1.397 0.197 0.411 0.600 0.600 CB 0.997 Z: 11 7.111 1.841 0.111 0.499 0.900 0.400 CB 1.223 11 residues pruned to eliminate duplicates Z: 36 19.873 2.039 0.534 0.358 0.886 0.486 CB 1.413 38 residues pruned to eliminate duplicates Z: 7 3.819 1.546 0.347 0.458 1.000 0.333 N 0.782 Z: 9 5.242 1.731 0.139 0.240 0.875 0.500 N 1.451 6 residues pruned to eliminate duplicates Z: 32 35.357 2.112 0.636 0.745 0.968 0.806 CB 1.525 35 residues pruned to eliminate duplicates Z: 8 4.152 1.680 0.723 0.404 0.571 0.286 CA 1.050 8 residues pruned to eliminate duplicates Z: 8 5.427 1.702 0.482 0.279 1.000 0.429 CB 1.044 8 residues pruned to eliminate duplicates Z: 10 5.223 1.593 0.526 0.312 0.778 0.333 N 1.134 Z: 6 7.320 1.483 0.699 0.816 1.000 1.000 CA 0.987 Z: 13 9.994 1.774 0.950 0.326 0.833 0.417 CB 1.213 13 residues pruned to eliminate duplicates Z: 6 5.082 2.189 0.476 0.480 0.600 0.400 CB 1.197 6 residues pruned to eliminate duplicates Z: 21 31.256 2.135 0.664 0.910 1.000 0.600 CB 1.394 21 residues pruned to eliminate duplicates Z: 22 12.361 1.835 0.582 0.331 0.857 0.524 CB 1.304 22 residues pruned to eliminate duplicates Z: 6 6.286 1.427 0.649 0.857 1.000 0.600 CB 0.880 Z: 26 17.553 1.975 0.703 0.353 0.880 0.560 CA 1.390 26 residues pruned to eliminate duplicates Z: 35 29.739 1.990 0.568 0.665 0.941 0.618 CB 1.491 35 residues pruned to eliminate duplicates Z: 14 7.642 1.630 0.722 0.505 0.769 0.462 CB 0.977 Z: 11 4.997 1.344 0.645 0.353 0.800 0.300 CB 1.048 Z: 8 2.318 1.248 0.712 0.353 0.714 0.571 N 0.673 Z: 7 12.649 2.055 0.584 0.702 0.833 0.833 CA 1.584 11 residues pruned to eliminate duplicates Z: 8 5.027 1.822 0.177 0.186 0.857 0.714 N 1.507 Z: 11 12.318 1.781 0.458 0.598 1.000 0.700 CA 1.367 9 residues pruned to eliminate duplicates Z: 17 28.238 2.061 0.865 0.885 0.938 0.250 CB 1.414 17 residues pruned to eliminate duplicates Z: 12 8.960 1.817 0.273 0.483 0.909 0.545 CA 1.308 12 residues pruned to eliminate duplicates Z: 7 2.804 1.664 0.293 0.332 0.667 0.500 CB 0.959 8 residues pruned to eliminate duplicates Z: 10 20.211 2.057 0.940 0.626 1.000 0.778 CA 1.499 11 residues pruned to eliminate duplicates Z: 7 10.832 1.994 0.212 0.577 1.000 0.667 CB 1.699 9 residues pruned to eliminate duplicates Z: 7 2.999 1.723 0.048 0.293 0.667 0.500 CB 1.282 7 residues pruned to eliminate duplicates Z: 10 5.965 1.541 0.118 0.603 1.000 0.556 CB 1.047 Z: 17 31.520 2.303 0.752 0.892 0.938 0.375 CB 1.497 17 residues pruned to eliminate duplicates Z: 13 10.482 1.815 0.276 0.477 0.917 0.833 CA 1.458 13 residues pruned to eliminate duplicates Z: 6 5.758 1.847 0.238 0.712 0.800 0.800 CA 1.161 Z: 10 6.405 1.626 0.712 0.415 0.778 0.556 CB 1.077 8 residues pruned to eliminate duplicates Z: 7 2.204 1.388 0.010 0.485 0.833 0.500 CB 0.783 Z: 10 18.322 2.019 0.664 0.823 1.000 0.778 CA 1.373 10 residues pruned to eliminate duplicates Z: 13 4.454 1.695 0.431 0.445 0.750 0.333 CB 0.748 13 residues pruned to eliminate duplicates Z: 24 29.005 2.125 0.794 0.594 0.957 0.435 CB 1.516 24 residues pruned to eliminate duplicates Z: 16 10.412 1.835 0.711 0.441 0.800 0.533 CB 1.138 16 residues pruned to eliminate duplicates 6 1.934 1.259 -0.120 0.507 1.000 0.400 CB 0.775 ? 8 1.997 1.254 0.642 0.395 0.571 0.286 N 0.716 ? Z: 11 4.193 1.606 0.358 0.351 0.700 0.500 CB 1.021 Z: 11 6.800 1.630 0.615 0.285 0.900 0.500 CB 1.157 11 residues pruned to eliminate duplicates Z: 6 3.853 1.478 0.747 0.328 0.800 0.800 N 1.007 Z: 13 5.941 1.817 0.234 0.339 0.750 0.667 CB 1.216 13 residues pruned to eliminate duplicates Z: 10 4.868 1.480 0.918 0.331 0.667 0.222 CB 1.031 Z: 16 25.312 2.086 0.884 0.905 1.000 0.533 CA 1.184 16 residues pruned to eliminate duplicates Z: 23 23.991 1.875 0.798 0.760 0.955 0.773 CB 1.262 23 residues pruned to eliminate duplicates Z: 13 22.328 2.231 0.579 0.663 1.000 0.833 CA 1.574 13 residues pruned to eliminate duplicates Z: 11 6.283 1.540 0.574 0.394 0.800 0.700 CA 1.146 11 residues pruned to eliminate duplicates 7 1.614 1.299 0.627 0.245 0.833 0.500 CB 0.502 ? Z: 9 3.745 1.603 0.224 0.459 0.750 0.375 CB 0.938 Z: 8 4.441 1.609 0.299 0.270 1.000 0.571 CB 1.043 Z: 8 12.666 1.893 0.760 0.504 1.000 0.714 CA 1.431 6 residues pruned to eliminate duplicates Z: 6 7.521 1.682 1.055 0.488 1.000 0.600 CA 0.985 Z: 9 4.304 1.733 0.457 0.114 0.750 0.625 CB 1.310 9 residues pruned to eliminate duplicates Z: 41 30.635 1.967 0.554 0.673 0.900 0.700 CA 1.502 48 residues pruned to eliminate duplicates Z: 14 7.852 2.005 0.306 0.412 0.692 0.385 CB 1.317 14 residues pruned to eliminate duplicates Z: 19 16.891 2.125 0.410 0.588 0.944 0.778 CA 1.293 19 residues pruned to eliminate duplicates Z: 6 3.922 1.237 1.316 0.567 1.000 0.400 N 0.574 Z: 10 15.211 1.890 0.516 0.787 1.000 0.556 CB 1.375 10 residues pruned to eliminate duplicates Z: 10 3.013 1.609 0.053 0.270 0.889 0.556 CB 0.866 Z: 8 6.109 1.632 0.405 0.488 0.857 0.571 CB 1.189 8 residues pruned to eliminate duplicates Z: 12 5.477 1.582 0.335 0.344 0.818 0.364 CB 1.133 7 residues pruned to eliminate duplicates Z: 10 5.251 1.565 0.119 0.908 1.000 1.000 CB 0.709 Z: 6 5.118 1.737 0.549 0.414 0.800 0.400 CA 1.164 Z: 10 5.566 1.775 0.418 0.458 0.778 0.556 CA 0.989 10 residues pruned to eliminate duplicates Z: 17 10.013 1.889 0.584 0.415 0.812 0.562 CB 1.126 17 residues pruned to eliminate duplicates Z: 19 13.789 1.992 0.427 0.438 0.833 0.278 CB 1.463 19 residues pruned to eliminate duplicates Z: 16 7.278 1.445 0.559 0.431 0.867 0.533 CB 1.033 Z: 9 3.466 1.477 0.252 0.435 0.875 0.375 CB 0.809 Z: 17 17.980 2.192 0.496 0.470 1.000 0.688 CA 1.414 17 residues pruned to eliminate duplicates Z: 19 12.015 1.715 0.813 0.338 0.889 0.556 CA 1.223 13 residues pruned to eliminate duplicates Z: 7 6.271 1.460 0.632 0.697 1.000 0.833 CA 0.898 6 residues pruned to eliminate duplicates Z: 7 8.935 1.835 0.356 0.535 1.000 0.667 CA 1.416 7 residues pruned to eliminate duplicates Z: 10 4.025 1.575 0.482 0.239 0.667 0.444 CB 1.167 Z: 10 6.342 1.424 0.643 0.830 1.000 0.778 CB 0.679 9 residues pruned to eliminate duplicates Z: 19 18.551 2.069 0.632 0.481 0.889 0.611 CB 1.486 19 residues pruned to eliminate duplicates Z: 10 7.815 1.817 0.333 0.516 0.778 0.556 N 1.361 10 residues pruned to eliminate duplicates Z: 9 8.464 1.786 0.419 0.561 0.875 0.625 CB 1.271 9 residues pruned to eliminate duplicates Z: 9 5.089 2.017 0.267 0.317 0.750 0.625 CA 1.150 9 residues pruned to eliminate duplicates Z: 6 4.012 1.768 -0.032 0.399 0.800 0.600 N 1.457 6 residues pruned to eliminate duplicates Z: 11 5.284 1.588 0.580 0.260 0.700 0.400 N 1.252 Z: 9 8.075 1.739 0.375 0.498 1.000 0.875 CB 1.196 9 residues pruned to eliminate duplicates Z: 6 4.495 1.593 0.600 0.408 0.800 0.400 CA 1.085 Z: 31 14.620 1.991 0.485 0.344 0.767 0.333 CB 1.396 31 residues pruned to eliminate duplicates 6 1.464 1.256 0.154 0.297 0.600 0.600 C 0.945 ? Z: 12 9.670 1.898 0.207 0.391 0.909 0.545 CB 1.571 12 residues pruned to eliminate duplicates Z: 7 9.575 1.887 1.037 0.631 0.833 0.667 CB 1.079 7 residues pruned to eliminate duplicates Z: 15 8.871 1.664 0.551 0.399 1.000 0.500 CB 1.022 15 residues pruned to eliminate duplicates Z: 6 8.884 1.669 0.877 0.756 1.000 0.800 CB 1.010 Z: 6 2.366 1.640 -0.329 0.373 0.800 0.600 C 1.375 5 residues pruned to eliminate duplicates Z: 7 5.340 1.668 0.448 0.627 0.833 0.667 CA 0.961 Z: 9 21.666 2.198 0.559 0.865 1.000 0.750 CA 1.638 9 residues pruned to eliminate duplicates Z: 16 17.489 2.207 0.663 0.409 0.867 0.467 CB 1.562 16 residues pruned to eliminate duplicates Z: 16 7.649 1.640 0.467 0.498 0.733 0.667 CB 1.121 Z: 8 6.391 1.774 0.135 0.769 0.714 0.571 CA 1.322 Z: 8 2.425 1.258 0.168 0.612 1.000 0.571 CB 0.561 Z: 20 16.598 2.041 0.520 0.428 0.947 0.579 CB 1.396 15 residues pruned to eliminate duplicates Z: 8 2.669 1.584 0.311 0.211 0.714 0.571 CB 0.957 8 residues pruned to eliminate duplicates Z: 8 4.063 1.475 0.244 0.579 1.000 0.857 CB 0.775 Z: 16 18.149 2.076 0.662 0.403 0.933 0.600 CB 1.611 16 residues pruned to eliminate duplicates Z: 14 6.033 1.710 0.199 0.408 0.846 0.692 CB 1.063 14 residues pruned to eliminate duplicates Z: 7 12.137 1.849 0.850 0.576 1.000 0.833 CA 1.346 7 residues pruned to eliminate duplicates Z: 15 14.144 1.829 0.647 0.629 1.000 0.786 CB 1.111 15 residues pruned to eliminate duplicates Z: 18 10.045 1.956 0.454 0.304 0.824 0.294 CB 1.294 18 residues pruned to eliminate duplicates Z: 15 8.065 1.623 0.483 0.446 0.714 0.429 CB 1.325 15 residues pruned to eliminate duplicates Z: 31 28.901 2.108 0.484 0.791 0.900 0.700 CA 1.452 31 residues pruned to eliminate duplicates Z: 10 13.510 1.765 0.851 0.866 1.000 0.778 CA 1.009 10 residues pruned to eliminate duplicates Z: 6 2.913 1.571 0.421 0.445 0.800 0.600 CB 0.772 Z: 15 11.691 1.865 0.688 0.536 0.857 0.714 CB 1.118 15 residues pruned to eliminate duplicates Z: 17 9.709 1.749 0.577 0.383 0.812 0.500 CA 1.226 17 residues pruned to eliminate duplicates 7 1.752 1.338 0.725 0.334 0.500 0.500 CA 0.743 ? Z: 11 6.848 1.752 0.067 0.621 0.900 0.400 CB 1.148 10 residues pruned to eliminate duplicates Z: 6 3.250 1.514 0.486 0.503 0.600 0.400 CB 1.074 Z: 8 3.544 1.723 0.175 0.533 0.857 0.429 CB 0.747 Z: 7 4.299 1.182 0.218 0.841 1.000 1.000 O 0.910 Z: 7 5.807 1.717 0.697 0.209 1.000 0.500 CB 1.147 Z: 12 10.780 1.836 0.311 0.553 1.000 0.545 CA 1.282 12 residues pruned to eliminate duplicates Z: 7 4.698 1.523 0.359 0.544 0.833 0.500 CB 1.065 Z: 12 9.529 1.797 0.404 0.316 0.909 0.818 CA 1.535 12 residues pruned to eliminate duplicates Z: 6 2.162 1.184 0.052 0.686 1.000 0.400 N 0.654 Z: 8 2.033 1.424 0.137 0.574 0.714 0.429 N 0.618 8 residues pruned to eliminate duplicates Z: 7 3.497 1.699 0.192 0.469 0.667 0.500 CA 1.092 Z: 10 4.034 1.659 0.467 0.386 0.667 0.444 CB 0.936 10 residues pruned to eliminate duplicates Z: 6 3.103 1.473 0.432 0.295 0.800 0.600 N 1.035 Z: 15 7.300 1.778 0.775 0.281 0.786 0.429 CB 1.007 15 residues pruned to eliminate duplicates Z: 6 2.386 1.544 0.261 0.259 1.000 0.400 CB 0.722 Z: 7 2.316 1.193 0.190 0.402 0.833 0.667 CB 0.887 Z: 9 5.866 1.767 0.262 0.407 0.875 0.500 CA 1.173 9 residues pruned to eliminate duplicates Z: 8 4.829 1.545 1.023 0.284 0.714 0.286 CB 1.042 Z: 8 5.701 1.870 0.084 0.327 0.857 0.714 N 1.499 8 residues pruned to eliminate duplicates 6 1.971 1.223 0.210 0.202 1.000 0.200 CA 0.849 ? Z: 8 2.553 1.146 0.636 0.458 0.857 0.429 C 0.627 Z: 7 2.276 1.472 0.291 0.258 0.667 0.500 CB 0.967 Z: 8 6.145 1.349 0.900 0.483 0.857 0.571 CA 1.075 Z: 6 6.575 1.461 1.095 0.504 0.800 0.600 CA 1.196 Z: 7 2.141 1.367 0.718 0.267 0.500 0.500 N 0.970 Z: 17 19.236 1.952 0.736 0.878 1.000 0.750 CA 1.030 17 residues pruned to eliminate duplicates Z: 11 4.300 1.567 -0.021 0.447 0.900 0.600 CB 1.041 Z: 8 2.156 1.443 0.087 0.303 0.857 0.571 CB 0.755 Z: 15 26.326 2.154 0.666 0.829 1.000 0.786 CB 1.475 15 residues pruned to eliminate duplicates Z: 20 22.158 2.077 0.764 0.628 0.842 0.368 CB 1.461 20 residues pruned to eliminate duplicates Z: 17 10.458 1.858 0.417 0.418 0.750 0.625 CA 1.442 32 residues pruned to eliminate duplicates Z: 8 7.545 1.876 0.300 0.485 0.857 0.571 CA 1.385 8 residues pruned to eliminate duplicates Z: 8 6.873 1.489 1.346 0.465 1.000 0.571 CA 0.771 6 residues pruned to eliminate duplicates Z: 7 2.855 1.663 -0.030 0.291 0.833 0.333 CB 1.096 7 residues pruned to eliminate duplicates Z: 7 3.498 1.311 0.409 0.558 0.833 0.667 CB 0.878 Z: 6 2.945 1.717 0.210 0.495 0.800 0.800 CA 0.796 6 1.766 1.594 0.213 0.292 0.400 0.400 CB 1.290 ? Z: 21 8.322 1.647 0.530 0.485 0.800 0.350 CB 0.937 17 residues pruned to eliminate duplicates Z: 8 4.852 1.574 0.272 0.606 1.000 0.857 CB 0.828 6 residues pruned to eliminate duplicates Z: 6 2.272 0.990 0.577 0.769 0.800 0.800 N 0.641 Z: 6 7.082 1.847 0.475 0.562 1.000 1.000 CA 1.095 6 residues pruned to eliminate duplicates Z: 10 2.343 1.432 0.201 0.401 1.000 0.667 CB 0.504 Z: 17 25.389 2.016 0.911 0.773 1.000 0.750 CB 1.295 17 residues pruned to eliminate duplicates Z: 6 2.922 1.323 0.381 0.452 0.800 0.800 CB 0.939 Z: 7 4.304 1.607 0.346 0.434 0.833 0.667 N 1.043 8 1.693 1.369 0.387 0.257 0.571 0.286 CB 0.779 ? Z: 8 4.396 1.703 0.585 0.171 0.857 0.429 CB 1.070 8 residues pruned to eliminate duplicates Z: 8 10.204 1.878 0.493 0.823 0.857 0.571 CA 1.212 8 residues pruned to eliminate duplicates Z: 13 5.070 1.627 0.263 0.438 0.750 0.417 CB 1.012 13 residues pruned to eliminate duplicates Z: 8 6.651 1.827 0.531 0.333 0.714 0.429 CA 1.511 Z: 7 2.492 1.375 0.490 0.373 1.000 0.667 CA 0.569 6 1.428 1.363 0.265 0.295 0.600 0.600 CB 0.776 ? Z: 13 6.731 1.476 0.439 0.456 0.917 0.583 CB 1.044 Z: 8 7.875 1.901 0.380 0.322 0.857 0.714 CA 1.611 Z: 7 3.818 1.808 -0.225 0.640 0.833 0.333 CB 1.171 Z: 8 2.598 1.335 0.333 0.340 0.571 0.571 N 1.150 Z: 8 2.431 1.278 0.114 0.439 0.714 0.571 O 0.963 Z: 6 2.660 1.759 -0.004 0.217 0.800 0.600 CB 1.183 Z: 8 13.328 1.749 0.691 0.773 1.000 0.571 CA 1.339 8 residues pruned to eliminate duplicates Z: 6 4.870 1.654 0.181 0.527 1.000 1.000 CB 1.086 Z: 6 4.092 1.552 0.355 0.404 0.800 0.600 CB 1.203 6 residues pruned to eliminate duplicates 6 1.869 1.468 0.099 0.318 0.600 0.600 CB 1.056 ? 6 1.238 1.082 0.697 0.471 0.800 0.400 CB 0.388 ? Z: 6 2.130 1.255 0.501 0.299 1.000 0.600 CB 0.633 Z: 11 10.437 1.651 0.755 0.506 0.900 0.800 C 1.258 11 residues pruned to eliminate duplicates Z: 17 34.715 2.202 0.901 0.918 1.000 0.750 CB 1.462 17 residues pruned to eliminate duplicates Z: 6 2.242 1.441 0.535 0.187 0.600 0.400 C 1.100 Z: 6 3.951 1.445 0.731 0.424 0.800 0.200 N 0.956 Z: 7 3.775 1.589 0.501 0.511 0.833 0.667 CB 0.767 7 residues pruned to eliminate duplicates Z: 13 10.451 1.769 0.830 0.345 0.917 0.667 CA 1.203 13 residues pruned to eliminate duplicates Z: 7 2.251 1.463 0.189 0.240 0.833 0.333 CB 0.857 Z: 17 26.313 2.138 0.650 0.873 0.938 0.875 CB 1.449 17 residues pruned to eliminate duplicates Z: 9 2.071 1.332 0.399 0.235 0.750 0.250 CB 0.713 Z: 6 2.648 1.457 0.123 0.466 0.800 0.600 CA 0.936 Z: 6 2.072 1.469 0.114 0.414 0.800 0.400 CB 0.775 Z: 9 5.261 1.673 0.386 0.343 0.750 0.750 CB 1.268 9 residues pruned to eliminate duplicates Z: 22 35.980 1.996 1.157 0.892 1.000 0.381 CB 1.311 22 residues pruned to eliminate duplicates Z: 18 12.293 1.749 0.701 0.429 0.882 0.706 CB 1.223 18 residues pruned to eliminate duplicates Z: 19 8.513 1.592 0.793 0.288 0.778 0.444 CB 1.147 19 residues pruned to eliminate duplicates Z: 12 4.511 1.528 0.470 0.374 0.636 0.455 CB 1.088 Z: 20 37.001 2.185 0.820 0.919 0.895 0.421 CA 1.681 20 residues pruned to eliminate duplicates Z: 20 11.655 1.744 0.628 0.361 0.947 0.632 CA 1.155 20 residues pruned to eliminate duplicates Z: 23 15.403 1.968 0.475 0.545 0.818 0.591 CB 1.323 23 residues pruned to eliminate duplicates 6 1.253 1.255 -0.140 0.495 1.000 0.800 CB 0.522 ? Z: 7 2.381 1.435 0.053 0.119 1.000 0.333 CA 1.038 Z: 22 19.046 1.900 0.552 0.659 1.000 0.762 CB 1.216 22 residues pruned to eliminate duplicates Z: 7 3.761 1.393 0.203 0.578 1.000 0.500 CB 0.849 Z: 8 2.449 1.247 0.446 0.247 0.857 0.571 CB 0.802 Using tripeptides from previous cycle as seeds Z: 10 7.990 1.857 0.639 0.231 1.000 0.333 CB 1.197 Z: 9 18.454 2.163 0.553 0.853 1.000 1.000 CA 1.435 8 residues pruned to eliminate duplicates Z: 11 13.139 1.873 0.599 0.681 0.900 0.900 CA 1.304 11 residues pruned to eliminate duplicates Z: 11 20.285 2.006 0.662 0.906 1.000 0.800 CB 1.368 11 residues pruned to eliminate duplicates Z: 13 15.204 1.853 0.385 0.841 0.917 0.750 CB 1.390 13 residues pruned to eliminate duplicates Z: 15 11.347 1.961 0.466 0.539 0.786 0.500 CB 1.292 15 residues pruned to eliminate duplicates Z: 15 10.770 1.974 0.271 0.488 0.786 0.357 CA 1.478 15 residues pruned to eliminate duplicates Z: 18 11.771 1.987 0.341 0.492 0.765 0.412 CB 1.412 18 residues pruned to eliminate duplicates Z: 12 9.331 1.706 0.480 0.440 0.909 0.545 CB 1.303 12 residues pruned to eliminate duplicates Z: 13 7.436 1.653 0.394 0.408 0.917 0.583 CB 1.120 13 residues pruned to eliminate duplicates Z: 9 9.531 1.961 0.342 0.593 1.000 0.625 CB 1.172 9 residues pruned to eliminate duplicates Z: 11 6.094 1.689 0.185 0.485 0.800 0.600 CB 1.223 11 residues pruned to eliminate duplicates Z: 9 7.522 1.927 0.223 0.575 0.750 0.625 CA 1.399 9 residues pruned to eliminate duplicates Z: 11 6.915 1.824 0.490 0.458 0.700 0.400 CB 1.199 11 residues pruned to eliminate duplicates Z: 7 5.750 1.770 0.376 0.487 0.833 0.333 C 1.171 6 residues pruned to eliminate duplicates Z: 6 3.694 1.590 0.547 0.452 0.800 0.600 CA 0.882 Z: 6 4.901 1.629 0.728 0.371 0.800 0.400 CB 1.117 Z: 15 13.031 1.938 0.438 0.488 0.929 0.786 CB 1.363 21 residues pruned to eliminate duplicates Z: 21 12.260 1.854 0.365 0.367 0.900 0.450 CB 1.388 21 residues pruned to eliminate duplicates Z: 16 12.386 1.913 0.485 0.414 0.933 0.600 CB 1.320 16 residues pruned to eliminate duplicates Z: 15 15.552 1.968 0.575 0.443 1.000 0.571 CB 1.422 15 residues pruned to eliminate duplicates Z: 23 13.629 1.927 0.584 0.273 0.818 0.636 CB 1.506 23 residues pruned to eliminate duplicates Z: 15 15.453 1.916 0.694 0.540 0.929 0.643 CB 1.318 15 residues pruned to eliminate duplicates Z: 8 8.121 1.798 0.237 0.569 1.000 0.857 CB 1.291 8 residues pruned to eliminate duplicates Z: 15 15.204 1.846 0.837 0.463 0.929 0.643 CB 1.340 15 residues pruned to eliminate duplicates Z: 9 7.180 1.787 0.364 0.544 0.875 0.625 CB 1.140 9 residues pruned to eliminate duplicates Z: 21 14.251 1.940 0.511 0.336 0.900 0.650 CB 1.445 21 residues pruned to eliminate duplicates Z: 14 12.032 1.949 0.549 0.326 1.000 0.308 CA 1.339 11 residues pruned to eliminate duplicates Z: 8 5.116 1.501 0.446 0.457 0.857 0.571 CB 1.086 8 residues pruned to eliminate duplicates Z: 11 7.373 1.817 0.849 0.403 0.800 0.800 CB 0.961 10 residues pruned to eliminate duplicates 6 1.731 1.671 0.103 0.391 0.600 0.600 CB 0.786 ? Z: 6 2.408 1.280 0.200 0.711 1.000 0.400 CB 0.579 6 residues pruned to eliminate duplicates Z: 10 9.907 1.904 0.335 0.483 1.000 0.556 CA 1.321 10 residues pruned to eliminate duplicates Z: 13 8.750 1.741 0.305 0.406 1.000 0.583 CA 1.228 13 residues pruned to eliminate duplicates Z: 12 8.239 1.722 0.184 0.424 1.000 0.636 CA 1.318 12 residues pruned to eliminate duplicates Z: 8 12.633 2.150 0.258 0.624 1.000 0.857 CA 1.571 8 residues pruned to eliminate duplicates Z: 10 13.303 2.046 0.329 0.577 1.000 0.667 CA 1.515 10 residues pruned to eliminate duplicates Z: 6 7.350 1.675 0.821 0.456 1.000 0.800 CA 1.128 6 residues pruned to eliminate duplicates Z: 11 18.800 2.015 0.844 0.570 1.000 0.800 CA 1.495 7 residues pruned to eliminate duplicates Z: 12 19.048 2.024 1.017 0.579 0.909 0.727 CA 1.434 24 residues pruned to eliminate duplicates Z: 12 18.815 2.074 0.844 0.598 0.909 0.727 CA 1.486 12 residues pruned to eliminate duplicates Z: 6 4.148 1.626 0.372 0.294 1.000 0.400 CA 1.047 6 residues pruned to eliminate duplicates Z: 15 15.333 2.038 0.652 0.452 0.929 0.500 CB 1.377 15 residues pruned to eliminate duplicates Z: 17 15.422 2.031 0.696 0.345 1.000 0.562 CB 1.325 17 residues pruned to eliminate duplicates Z: 30 17.794 2.072 0.460 0.395 0.828 0.552 CB 1.474 30 residues pruned to eliminate duplicates Z: 17 12.528 2.069 0.429 0.381 0.875 0.562 CB 1.374 17 residues pruned to eliminate duplicates Z: 31 20.158 2.080 0.517 0.390 0.867 0.500 CB 1.512 31 residues pruned to eliminate duplicates Z: 36 19.164 2.042 0.565 0.355 0.886 0.457 CB 1.339 36 residues pruned to eliminate duplicates Z: 34 17.264 1.941 0.412 0.356 0.879 0.424 CA 1.459 34 residues pruned to eliminate duplicates Z: 19 14.835 1.986 0.615 0.373 0.944 0.556 CB 1.321 19 residues pruned to eliminate duplicates Z: 8 4.620 1.888 0.453 0.303 0.857 0.429 CB 0.925 8 residues pruned to eliminate duplicates Z: 20 20.588 2.068 0.658 0.468 0.947 0.579 CA 1.501 20 residues pruned to eliminate duplicates Z: 21 18.057 2.156 0.623 0.399 0.900 0.600 CA 1.427 21 residues pruned to eliminate duplicates Z: 22 21.090 2.151 0.452 0.538 0.905 0.667 CA 1.569 22 residues pruned to eliminate duplicates Z: 23 22.280 2.063 0.559 0.533 0.955 0.682 CB 1.498 23 residues pruned to eliminate duplicates Z: 23 21.403 2.104 0.525 0.538 0.909 0.636 CB 1.507 23 residues pruned to eliminate duplicates Z: 19 19.510 2.268 0.374 0.514 0.944 0.722 CA 1.541 19 residues pruned to eliminate duplicates Z: 20 18.557 2.149 0.491 0.457 0.947 0.737 CA 1.466 20 residues pruned to eliminate duplicates Z: 22 23.054 2.119 0.596 0.557 0.952 0.667 CB 1.478 22 residues pruned to eliminate duplicates Z: 9 17.935 2.345 0.687 0.570 0.875 0.625 CB 1.713 9 residues pruned to eliminate duplicates Z: 16 24.987 2.103 0.653 0.732 1.000 0.800 CB 1.506 16 residues pruned to eliminate duplicates Z: 22 20.316 2.097 0.507 0.545 0.952 0.714 CA 1.409 45 residues pruned to eliminate duplicates Z: 22 24.395 2.148 0.634 0.541 0.952 0.714 CB 1.530 22 residues pruned to eliminate duplicates Z: 19 22.062 2.263 0.590 0.468 0.889 0.611 CA 1.678 19 residues pruned to eliminate duplicates Z: 19 23.165 2.264 0.655 0.468 0.889 0.722 CB 1.695 19 residues pruned to eliminate duplicates Z: 22 21.767 2.150 0.502 0.529 0.952 0.714 CA 1.501 22 residues pruned to eliminate duplicates Z: 23 15.020 2.040 0.563 0.491 0.818 0.545 CB 1.238 23 residues pruned to eliminate duplicates Z: 24 16.558 2.055 0.394 0.453 0.826 0.478 CB 1.531 24 residues pruned to eliminate duplicates Z: 10 8.047 1.814 0.374 0.476 0.889 0.556 CA 1.241 10 residues pruned to eliminate duplicates Z: 11 6.660 1.747 0.408 0.404 0.800 0.400 CA 1.184 11 residues pruned to eliminate duplicates Z: 10 6.295 1.868 0.358 0.365 0.778 0.556 CA 1.230 10 residues pruned to eliminate duplicates Z: 33 27.701 2.021 0.399 0.686 0.938 0.750 CA 1.558 33 residues pruned to eliminate duplicates Z: 13 6.436 1.790 0.245 0.292 0.833 0.583 CB 1.263 13 residues pruned to eliminate duplicates Z: 11 6.630 1.763 0.455 0.325 0.800 0.800 CA 1.238 11 residues pruned to eliminate duplicates Z: 10 7.083 1.880 0.426 0.401 0.778 0.556 CB 1.256 10 residues pruned to eliminate duplicates Z: 10 10.294 1.937 0.343 0.462 0.889 0.778 CA 1.543 10 residues pruned to eliminate duplicates Z: 15 15.578 1.883 0.627 0.456 0.857 0.714 CB 1.658 18 residues pruned to eliminate duplicates Z: 7 5.504 1.635 0.396 0.535 0.833 0.333 CA 1.141 7 residues pruned to eliminate duplicates Z: 14 12.893 1.853 0.565 0.407 0.846 0.538 N 1.606 17 residues pruned to eliminate duplicates Z: 6 10.356 1.728 0.973 0.471 1.000 0.600 CA 1.399 7 residues pruned to eliminate duplicates Z: 6 4.074 1.655 -0.038 0.454 1.000 1.000 N 1.200 6 residues pruned to eliminate duplicates Z: 7 5.931 1.850 0.247 0.507 0.833 0.833 CA 1.251 7 residues pruned to eliminate duplicates Z: 10 18.512 2.033 0.768 0.692 1.000 0.889 CB 1.439 11 residues pruned to eliminate duplicates Z: 6 6.893 1.550 0.690 0.474 1.000 0.600 CA 1.209 6 residues pruned to eliminate duplicates Z: 12 13.664 1.793 0.749 0.588 0.909 0.909 CB 1.329 12 residues pruned to eliminate duplicates Z: 11 20.069 1.957 0.955 0.707 1.000 0.900 CB 1.374 10 residues pruned to eliminate duplicates Z: 6 8.472 1.883 0.292 0.426 1.000 0.400 CB 1.683 14 residues pruned to eliminate duplicates Z: 7 4.440 1.915 0.199 0.242 0.833 0.500 N 1.277 7 residues pruned to eliminate duplicates Z: 9 4.393 1.818 -0.019 0.298 0.875 0.500 CB 1.247 8 residues pruned to eliminate duplicates Z: 6 3.172 1.366 0.676 0.390 1.000 0.600 CA 0.696 Z: 6 2.247 1.449 -0.136 0.443 0.800 0.400 CB 1.064 4 residues pruned to eliminate duplicates Z: 6 4.941 1.500 0.383 0.375 1.000 0.600 CA 1.218 Z: 8 5.793 1.510 0.804 0.482 0.857 0.286 CB 0.955 8 residues pruned to eliminate duplicates Z: 23 15.138 2.037 0.616 0.456 0.818 0.364 CB 1.253 23 residues pruned to eliminate duplicates Z: 20 10.456 1.945 0.508 0.289 0.842 0.368 CB 1.231 20 residues pruned to eliminate duplicates Z: 18 10.852 2.006 0.518 0.305 0.824 0.471 CB 1.304 18 residues pruned to eliminate duplicates Z: 23 16.777 2.053 0.505 0.426 0.909 0.409 CB 1.375 23 residues pruned to eliminate duplicates Z: 19 12.185 1.974 0.538 0.288 0.833 0.444 CB 1.440 19 residues pruned to eliminate duplicates Z: 23 13.712 2.025 0.630 0.390 0.682 0.364 CB 1.458 23 residues pruned to eliminate duplicates Z: 11 14.814 1.937 1.010 0.554 0.800 0.500 CA 1.427 11 residues pruned to eliminate duplicates Z: 15 10.636 1.934 0.594 0.437 0.714 0.286 CB 1.378 15 residues pruned to eliminate duplicates Z: 23 15.408 2.029 0.481 0.423 0.864 0.409 CB 1.371 23 residues pruned to eliminate duplicates Z: 12 12.403 2.039 0.565 0.544 0.727 0.545 CA 1.543 12 residues pruned to eliminate duplicates Z: 6 3.812 1.727 0.814 0.234 0.800 0.000 CB 0.926 6 residues pruned to eliminate duplicates Z: 23 15.920 2.041 0.498 0.470 0.864 0.500 CB 1.325 23 residues pruned to eliminate duplicates Z: 12 9.701 1.997 0.365 0.446 0.818 0.545 CA 1.385 16 residues pruned to eliminate duplicates Z: 6 6.050 1.713 0.510 0.450 1.000 0.800 CA 1.100 6 residues pruned to eliminate duplicates Z: 7 8.850 2.113 0.378 0.597 0.833 0.833 CB 1.357 7 residues pruned to eliminate duplicates Z: 12 10.808 2.042 0.274 0.521 0.818 0.727 CA 1.499 12 residues pruned to eliminate duplicates Z: 8 9.377 1.997 0.505 0.579 0.857 0.571 CA 1.274 8 residues pruned to eliminate duplicates Z: 8 8.766 2.040 0.341 0.516 0.857 0.571 CA 1.391 8 residues pruned to eliminate duplicates Z: 12 8.831 2.089 0.177 0.368 0.818 0.545 CB 1.525 11 residues pruned to eliminate duplicates Z: 6 5.249 1.402 0.705 0.465 1.000 0.600 CA 1.018 6 residues pruned to eliminate duplicates Z: 34 30.417 2.110 0.547 0.639 0.939 0.606 CA 1.516 34 residues pruned to eliminate duplicates Z: 32 32.367 2.157 0.539 0.668 0.968 0.806 CB 1.549 32 residues pruned to eliminate duplicates Z: 38 30.827 2.053 0.623 0.601 0.973 0.784 CB 1.420 38 residues pruned to eliminate duplicates Z: 34 32.132 2.102 0.628 0.690 0.939 0.697 CB 1.462 34 residues pruned to eliminate duplicates Z: 35 29.635 2.086 0.537 0.626 0.971 0.735 CB 1.450 35 residues pruned to eliminate duplicates Z: 32 32.250 2.169 0.572 0.677 0.935 0.710 CB 1.542 32 residues pruned to eliminate duplicates Z: 34 37.113 2.107 0.709 0.686 0.970 0.758 CA 1.560 34 residues pruned to eliminate duplicates Z: 18 34.549 2.185 0.811 0.885 1.000 0.765 CB 1.529 18 residues pruned to eliminate duplicates Z: 30 41.690 2.198 0.795 0.769 1.000 0.793 CB 1.546 32 residues pruned to eliminate duplicates Z: 22 30.434 2.083 0.611 0.920 1.000 0.810 CB 1.394 22 residues pruned to eliminate duplicates Z: 35 29.756 2.073 0.496 0.646 0.971 0.735 CB 1.480 35 residues pruned to eliminate duplicates Z: 36 32.984 2.055 0.801 0.623 0.943 0.686 CB 1.423 30 residues pruned to eliminate duplicates Z: 21 28.359 2.139 0.582 0.869 0.950 0.500 CB 1.440 21 residues pruned to eliminate duplicates Z: 34 32.968 2.045 0.789 0.662 0.970 0.697 CB 1.392 34 residues pruned to eliminate duplicates Z: 32 35.403 2.172 0.754 0.677 0.935 0.548 CB 1.516 32 residues pruned to eliminate duplicates Z: 34 33.367 2.130 0.743 0.634 0.939 0.636 CB 1.468 34 residues pruned to eliminate duplicates Z: 32 41.631 2.102 1.030 0.702 1.000 0.516 CB 1.458 31 residues pruned to eliminate duplicates Z: 22 34.590 2.085 0.828 0.921 1.000 0.476 CB 1.395 22 residues pruned to eliminate duplicates Z: 57 28.234 1.963 0.505 0.542 0.929 0.536 CB 1.320 71 residues pruned to eliminate duplicates Z: 21 36.697 2.155 0.906 0.903 1.000 0.550 CB 1.425 21 residues pruned to eliminate duplicates Z: 33 36.247 2.143 0.880 0.645 0.938 0.531 CB 1.482 33 residues pruned to eliminate duplicates Z: 30 42.127 2.171 0.951 0.749 1.000 0.690 CB 1.479 30 residues pruned to eliminate duplicates Z: 10 10.330 1.953 0.583 0.485 0.778 0.444 N 1.454 10 residues pruned to eliminate duplicates Z: 28 8.645 1.681 0.443 0.316 0.778 0.444 CB 1.081 24 residues pruned to eliminate duplicates Z: 22 21.387 2.095 0.152 0.854 0.952 0.857 CA 1.499 22 residues pruned to eliminate duplicates Z: 33 30.074 2.053 0.547 0.672 0.938 0.719 CA 1.524 36 residues pruned to eliminate duplicates Z: 21 34.266 2.127 0.617 0.912 1.000 0.750 CA 1.577 21 residues pruned to eliminate duplicates Z: 31 37.636 2.127 0.684 0.751 0.967 0.833 CA 1.587 31 residues pruned to eliminate duplicates Z: 32 29.372 2.049 0.646 0.614 0.871 0.677 CA 1.613 32 residues pruned to eliminate duplicates Z: 30 32.917 2.158 0.517 0.770 0.966 0.793 CA 1.523 30 residues pruned to eliminate duplicates Z: 32 36.049 2.075 0.622 0.741 0.935 0.645 CA 1.657 39 residues pruned to eliminate duplicates Z: 20 32.700 2.192 0.556 0.921 0.947 0.737 CB 1.635 20 residues pruned to eliminate duplicates Z: 29 36.469 2.171 0.620 0.759 0.929 0.643 CB 1.677 29 residues pruned to eliminate duplicates Z: 33 36.194 2.083 0.580 0.726 0.938 0.625 CB 1.691 33 residues pruned to eliminate duplicates Z: 32 35.120 2.077 0.678 0.685 0.935 0.613 CA 1.633 32 residues pruned to eliminate duplicates Z: 33 32.459 2.043 0.587 0.716 0.906 0.719 CA 1.605 33 residues pruned to eliminate duplicates Z: 32 30.355 2.101 0.588 0.695 0.871 0.613 CA 1.569 32 residues pruned to eliminate duplicates Z: 30 36.043 2.171 0.645 0.785 0.931 0.759 CA 1.566 30 residues pruned to eliminate duplicates Z: 28 39.388 2.200 0.608 0.771 0.963 0.741 CA 1.750 28 residues pruned to eliminate duplicates Z: 32 40.356 2.105 0.808 0.728 0.935 0.710 CA 1.658 31 residues pruned to eliminate duplicates Z: 20 42.186 2.212 0.709 0.932 1.000 0.632 CA 1.788 20 residues pruned to eliminate duplicates Z: 30 38.636 2.189 0.756 0.748 0.931 0.621 CA 1.607 32 residues pruned to eliminate duplicates Z: 23 32.695 2.066 0.719 0.889 0.909 0.409 CB 1.554 23 residues pruned to eliminate duplicates Z: 39 42.373 2.109 0.848 0.704 0.895 0.526 CB 1.637 38 residues pruned to eliminate duplicates Z: 23 28.823 2.050 0.776 0.841 0.818 0.182 CB 1.539 23 residues pruned to eliminate duplicates Z: 8 3.389 1.871 0.010 0.318 0.714 0.286 CB 1.159 7 residues pruned to eliminate duplicates Z: 6 5.783 1.887 0.166 0.458 0.800 0.400 O 1.534 5 residues pruned to eliminate duplicates 6 1.781 1.679 -0.031 0.208 0.800 0.400 CB 0.863 ? Z: 6 8.130 1.725 0.522 0.509 1.000 0.600 CB 1.374 11 residues pruned to eliminate duplicates Z: 6 3.456 1.721 0.311 0.370 0.600 0.200 CA 1.313 14 residues pruned to eliminate duplicates Z: 10 11.079 1.872 0.520 0.466 0.889 0.333 CB 1.512 10 residues pruned to eliminate duplicates Z: 9 8.663 1.908 0.377 0.356 1.000 0.250 CB 1.361 9 residues pruned to eliminate duplicates Z: 13 7.172 1.891 0.123 0.311 0.833 0.333 CB 1.443 12 residues pruned to eliminate duplicates Z: 17 19.155 2.038 0.680 0.892 0.875 0.500 CA 1.148 17 residues pruned to eliminate duplicates Z: 18 17.558 2.005 0.742 0.728 0.882 0.706 CA 1.125 18 residues pruned to eliminate duplicates Z: 18 18.842 2.005 0.632 0.795 0.941 0.588 CA 1.146 18 residues pruned to eliminate duplicates Z: 17 20.645 2.017 0.855 0.778 0.938 0.438 CA 1.152 18 residues pruned to eliminate duplicates Z: 17 14.977 1.939 0.727 0.827 0.812 0.500 CA 1.037 17 residues pruned to eliminate duplicates Z: 18 21.388 2.046 0.759 0.806 0.882 0.588 CA 1.251 18 residues pruned to eliminate duplicates Z: 16 23.869 2.049 1.036 0.781 1.000 0.600 CA 1.153 16 residues pruned to eliminate duplicates Z: 15 21.563 2.175 0.773 0.850 0.929 0.714 CA 1.192 15 residues pruned to eliminate duplicates Z: 17 23.150 2.064 0.754 0.785 1.000 0.625 CA 1.244 17 residues pruned to eliminate duplicates Z: 17 20.833 2.099 0.630 0.796 1.000 0.625 CA 1.174 17 residues pruned to eliminate duplicates Z: 16 24.577 2.101 0.834 0.855 1.000 0.667 CA 1.216 16 residues pruned to eliminate duplicates Z: 26 24.086 2.020 0.704 0.659 0.960 0.480 CA 1.259 26 residues pruned to eliminate duplicates Z: 17 23.110 2.025 0.962 0.920 0.875 0.562 CA 1.171 17 residues pruned to eliminate duplicates Z: 20 23.604 2.139 0.499 0.790 1.000 0.632 CB 1.309 20 residues pruned to eliminate duplicates Z: 21 29.883 2.249 0.642 0.633 0.950 0.600 CA 1.681 21 residues pruned to eliminate duplicates Z: 21 32.359 2.236 0.686 0.668 1.000 0.650 CA 1.643 21 residues pruned to eliminate duplicates Z: 20 32.996 2.273 0.643 0.693 1.000 0.842 CA 1.700 20 residues pruned to eliminate duplicates Z: 29 32.818 2.107 0.707 0.709 0.964 0.500 CB 1.479 29 residues pruned to eliminate duplicates Z: 19 30.249 2.158 0.669 0.919 1.000 0.944 CB 1.396 19 residues pruned to eliminate duplicates Z: 26 30.833 2.172 0.641 0.711 0.960 0.720 CB 1.489 26 residues pruned to eliminate duplicates Z: 22 34.724 2.229 0.806 0.677 1.000 0.571 CB 1.600 22 residues pruned to eliminate duplicates Z: 23 31.400 2.196 0.716 0.631 1.000 0.500 CB 1.571 23 residues pruned to eliminate duplicates Z: 22 30.318 2.232 0.750 0.685 0.905 0.714 CB 1.580 22 residues pruned to eliminate duplicates Z: 24 28.553 2.126 0.738 0.637 0.957 0.609 CB 1.482 24 residues pruned to eliminate duplicates Z: 22 32.721 2.207 0.827 0.659 1.000 0.619 CB 1.529 22 residues pruned to eliminate duplicates Z: 31 28.166 2.056 0.599 0.630 1.000 0.667 CB 1.385 31 residues pruned to eliminate duplicates Z: 22 33.965 2.189 0.782 0.695 1.000 0.524 CB 1.589 22 residues pruned to eliminate duplicates Z: 29 32.882 2.052 0.783 0.670 0.964 0.536 CB 1.505 29 residues pruned to eliminate duplicates Z: 17 18.362 2.140 0.633 0.770 0.875 0.312 CB 1.182 17 residues pruned to eliminate duplicates Z: 9 11.128 1.916 0.576 0.599 1.000 0.625 N 1.186 12 residues pruned to eliminate duplicates Z: 11 8.536 1.736 0.492 0.491 0.900 0.400 N 1.168 11 residues pruned to eliminate duplicates Z: 14 8.612 1.754 0.447 0.389 0.846 0.308 N 1.252 11 residues pruned to eliminate duplicates Z: 6 3.173 1.616 0.581 0.205 0.800 0.400 N 0.985 6 residues pruned to eliminate duplicates Z: 12 7.901 1.734 0.536 0.381 0.909 0.455 N 1.117 12 residues pruned to eliminate duplicates Z: 10 10.338 1.917 0.412 0.513 1.000 0.556 N 1.256 9 residues pruned to eliminate duplicates Z: 6 2.491 1.183 0.149 0.435 1.000 0.400 C 0.876 6 residues pruned to eliminate duplicates Z: 10 6.844 1.873 0.292 0.485 0.778 0.333 CB 1.231 10 residues pruned to eliminate duplicates Z: 11 4.487 1.667 0.093 0.442 0.700 0.400 CB 1.182 11 residues pruned to eliminate duplicates Z: 14 5.760 1.662 0.316 0.323 0.846 0.308 CB 1.049 14 residues pruned to eliminate duplicates Z: 10 7.103 1.814 0.300 0.476 0.778 0.222 CB 1.324 10 residues pruned to eliminate duplicates Z: 7 6.892 1.887 0.291 0.348 1.000 0.667 CA 1.362 7 residues pruned to eliminate duplicates Z: 10 10.291 1.956 0.336 0.442 1.000 0.444 CB 1.394 9 residues pruned to eliminate duplicates Z: 7 6.954 1.439 0.590 0.523 1.000 0.667 CA 1.214 7 residues pruned to eliminate duplicates Z: 9 11.067 1.923 0.397 0.553 1.000 0.625 CB 1.383 9 residues pruned to eliminate duplicates Z: 8 12.376 2.101 0.449 0.656 0.857 0.714 CB 1.550 8 residues pruned to eliminate duplicates Z: 15 8.522 1.801 0.511 0.357 0.929 0.500 CB 1.052 15 residues pruned to eliminate duplicates Z: 8 7.703 1.954 0.267 0.552 0.857 0.571 CB 1.304 8 residues pruned to eliminate duplicates Z: 7 7.492 1.954 0.682 0.405 0.667 0.500 C 1.543 7 residues pruned to eliminate duplicates Z: 8 7.110 1.681 0.361 0.507 1.000 0.286 CB 1.166 8 residues pruned to eliminate duplicates Z: 8 11.277 1.976 0.606 0.498 0.857 0.571 CB 1.569 Z: 9 5.282 1.774 0.259 0.391 0.750 0.500 CB 1.251 9 residues pruned to eliminate duplicates Z: 9 8.294 1.946 0.596 0.483 0.875 0.500 CB 1.098 8 residues pruned to eliminate duplicates Z: 9 9.767 2.035 0.549 0.475 0.875 0.500 CB 1.284 9 residues pruned to eliminate duplicates Z: 31 13.600 1.892 0.448 0.294 0.867 0.467 CB 1.317 31 residues pruned to eliminate duplicates Z: 17 10.218 2.094 0.313 0.394 0.688 0.438 CB 1.511 17 residues pruned to eliminate duplicates Z: 18 10.261 2.032 0.368 0.301 0.765 0.529 CB 1.461 18 residues pruned to eliminate duplicates Z: 18 10.968 2.007 0.424 0.409 0.765 0.471 CB 1.338 18 residues pruned to eliminate duplicates Z: 21 10.558 1.897 0.302 0.372 0.900 0.450 CB 1.217 21 residues pruned to eliminate duplicates Z: 17 13.156 2.134 0.568 0.451 0.688 0.562 CB 1.504 17 residues pruned to eliminate duplicates Z: 14 12.760 2.088 0.415 0.449 0.846 0.385 CB 1.492 14 residues pruned to eliminate duplicates Z: 27 14.845 1.961 0.436 0.358 0.846 0.538 CB 1.424 27 residues pruned to eliminate duplicates Z: 13 11.596 2.124 0.405 0.354 0.833 0.500 CB 1.575 13 residues pruned to eliminate duplicates Z: 18 13.639 1.844 0.526 0.397 0.941 0.647 CB 1.393 18 residues pruned to eliminate duplicates Z: 15 13.349 1.749 1.011 0.413 0.929 0.643 CB 1.197 15 residues pruned to eliminate duplicates Z: 13 14.535 1.891 1.041 0.452 0.917 0.750 CB 1.246 13 residues pruned to eliminate duplicates Z: 10 10.167 2.025 0.584 0.513 0.778 0.667 CB 1.342 10 residues pruned to eliminate duplicates Z: 15 9.887 1.937 0.355 0.288 0.929 0.643 CA 1.376 15 residues pruned to eliminate duplicates Z: 13 11.952 1.899 0.436 0.484 0.917 0.750 N 1.402 13 residues pruned to eliminate duplicates Z: 15 10.210 1.911 0.325 0.398 0.857 0.643 CA 1.399 15 residues pruned to eliminate duplicates Z: 9 3.934 1.775 -0.017 0.183 1.000 0.250 CA 1.167 Z: 6 6.699 1.626 0.640 0.562 1.000 0.600 CA 1.058 9 residues pruned to eliminate duplicates Z: 6 6.035 1.796 0.413 0.268 1.000 0.800 CA 1.385 6 residues pruned to eliminate duplicates Z: 8 8.248 1.842 0.791 0.363 0.857 0.571 CB 1.278 10 residues pruned to eliminate duplicates 6 1.919 1.917 -0.191 0.363 0.800 0.800 CB 0.801 ? Z: 7 5.179 1.604 0.861 0.386 0.833 0.333 CA 0.959 7 residues pruned to eliminate duplicates Z: 9 4.905 1.746 0.120 0.311 0.875 0.375 CA 1.248 9 residues pruned to eliminate duplicates Z: 6 4.893 1.893 0.350 0.284 0.800 0.600 CB 1.364 8 residues pruned to eliminate duplicates Z: 7 3.139 1.727 -0.108 0.379 0.833 0.500 CB 1.135 7 residues pruned to eliminate duplicates Z: 9 3.646 1.656 0.375 0.149 0.875 0.250 CB 0.997 9 residues pruned to eliminate duplicates Z: 8 3.465 1.769 0.569 0.113 0.714 0.143 CB 1.077 8 residues pruned to eliminate duplicates Z: 16 10.193 1.971 0.521 0.358 0.733 0.533 CB 1.396 16 residues pruned to eliminate duplicates Z: 6 5.829 1.528 0.440 0.500 1.000 0.200 C 1.184 6 residues pruned to eliminate duplicates Z: 22 11.984 1.855 0.661 0.296 0.810 0.524 CB 1.318 22 residues pruned to eliminate duplicates Z: 16 14.184 2.035 0.618 0.413 0.933 0.467 CB 1.305 16 residues pruned to eliminate duplicates Z: 14 15.298 2.101 0.589 0.484 0.769 0.462 CA 1.679 14 residues pruned to eliminate duplicates Z: 12 14.852 2.064 0.699 0.480 0.818 0.455 CB 1.593 12 residues pruned to eliminate duplicates Z: 17 12.819 1.971 0.595 0.450 0.938 0.562 CB 1.145 17 residues pruned to eliminate duplicates Z: 15 11.176 1.973 0.315 0.396 0.929 0.429 CB 1.384 15 residues pruned to eliminate duplicates Z: 7 10.657 2.052 0.867 0.405 0.833 0.667 CA 1.506 7 residues pruned to eliminate duplicates Z: 12 14.949 2.116 0.850 0.505 0.818 0.545 CB 1.400 12 residues pruned to eliminate duplicates Z: 17 14.049 1.946 0.588 0.531 0.938 0.625 CB 1.176 17 residues pruned to eliminate duplicates 505 residues left after pruning, divided into chains as follows: A: 12 B: 10 C: 10 D: 8 E: 8 F: 6 G: 8 H: 21 I: 7 J: 8 K: 7 L: 15 M: 7 N: 10 O: 10 P: 13 Q: 12 R: 12 S: 12 T: 6 U: 97 V: 8 W: 10 X: 48 Y: 6 Z: 12 Z: 32 Z: 29 Z: 10 Z: 9 Z: 7 Z: 9 Z: 9 Z: 10 Z: 7 CC for partial structure against native data = 17.18 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.395, Connect. = 0.672 for dens.mod. cycle 1 = 0.300, Contrast = 0.465, Connect. = 0.696 for dens.mod. cycle 2 = 0.300, Contrast = 0.540, Connect. = 0.733 for dens.mod. cycle 3 = 0.300, Contrast = 0.552, Connect. = 0.741 for dens.mod. cycle 4 = 0.300, Contrast = 0.562, Connect. = 0.746 for dens.mod. cycle 5 = 0.300, Contrast = 0.568, Connect. = 0.750 for dens.mod. cycle 6 = 0.300, Contrast = 0.573, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.576, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.579, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.580, Connect. = 0.760 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6586 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1189 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 21.822 2.153 0.815 0.702 1.000 0.800 CB 1.470 B: 21 34.859 2.188 0.607 0.883 0.950 0.750 CB 1.687 C: 12 14.745 2.071 0.612 0.657 0.909 0.727 CB 1.267 11 residues pruned to eliminate duplicates D: 12 19.890 2.173 0.732 0.644 1.000 0.818 CB 1.393 13 residues pruned to eliminate duplicates E: 21 26.273 2.270 0.395 0.892 0.950 0.700 CB 1.403 F: 22 36.876 2.133 0.699 0.914 1.000 0.762 CA 1.571 G: 11 10.694 1.832 0.479 0.449 1.000 0.500 CA 1.316 H: 20 34.186 2.189 0.482 0.927 1.000 0.842 CA 1.694 20 residues pruned to eliminate duplicates I: 22 36.235 2.147 0.660 0.900 1.000 0.857 CB 1.584 22 residues pruned to eliminate duplicates J: 11 15.374 2.044 0.684 0.571 1.000 0.800 CA 1.319 K: 22 34.949 2.167 0.595 0.931 1.000 1.000 CB 1.542 22 residues pruned to eliminate duplicates L: 12 19.303 2.087 0.789 0.692 0.909 0.818 CB 1.438 12 residues pruned to eliminate duplicates M: 9 15.721 2.175 0.373 0.874 1.000 0.750 CB 1.354 N: 29 17.051 2.144 0.502 0.317 0.893 0.536 CB 1.372 O: 21 26.501 2.221 0.387 0.900 1.000 0.800 CB 1.374 22 residues pruned to eliminate duplicates P: 22 38.117 2.116 0.900 0.900 0.952 0.429 CB 1.552 22 residues pruned to eliminate duplicates Q: 14 28.110 2.382 0.475 0.912 1.000 0.846 CB 1.571 14 residues pruned to eliminate duplicates R: 20 36.276 2.292 0.788 0.915 0.947 0.684 CB 1.515 20 residues pruned to eliminate duplicates S: 8 10.494 1.739 0.730 0.563 0.857 0.571 CB 1.448 T: 21 38.771 2.226 0.776 0.908 1.000 0.550 CB 1.557 22 residues pruned to eliminate duplicates U: 22 27.981 2.217 0.376 0.931 1.000 0.810 CB 1.398 21 residues pruned to eliminate duplicates V: 22 35.856 2.139 0.583 0.919 1.000 0.810 CB 1.628 22 residues pruned to eliminate duplicates W: 22 36.839 2.172 0.723 0.926 1.000 0.619 CB 1.506 22 residues pruned to eliminate duplicates X: 20 27.433 2.054 0.724 0.923 0.947 0.737 CA 1.319 Y: 20 33.442 2.231 0.619 0.918 1.000 0.895 CB 1.498 20 residues pruned to eliminate duplicates Z: 24 35.225 2.126 0.663 0.835 1.000 0.696 CB 1.556 24 residues pruned to eliminate duplicates Z: 17 30.519 2.157 0.654 0.857 0.938 0.688 CB 1.681 17 residues pruned to eliminate duplicates Z: 17 21.062 2.212 0.462 0.899 0.938 0.562 CB 1.241 17 residues pruned to eliminate duplicates Z: 15 20.604 2.113 0.676 0.860 0.929 0.786 CA 1.231 15 residues pruned to eliminate duplicates Z: 9 13.456 1.738 0.847 0.602 1.000 0.750 CA 1.345 8 residues pruned to eliminate duplicates Z: 19 16.777 2.173 0.371 0.437 0.889 0.556 CB 1.595 18 residues pruned to eliminate duplicates Z: 20 36.426 2.151 0.785 0.930 0.947 0.842 CB 1.607 19 residues pruned to eliminate duplicates Z: 19 29.428 2.288 0.480 0.903 1.000 0.778 CB 1.461 19 residues pruned to eliminate duplicates Z: 21 42.134 2.268 0.963 0.917 0.900 0.450 CB 1.659 21 residues pruned to eliminate duplicates Z: 10 15.013 2.031 0.566 0.587 0.889 0.667 CA 1.628 10 residues pruned to eliminate duplicates Z: 26 18.561 1.991 0.578 0.416 0.880 0.640 CB 1.466 Z: 20 36.113 2.286 0.699 0.916 1.000 0.632 CB 1.507 20 residues pruned to eliminate duplicates Z: 18 22.932 2.272 0.233 0.906 0.941 0.824 CB 1.500 18 residues pruned to eliminate duplicates Z: 13 9.626 2.095 0.165 0.526 0.750 0.667 CA 1.479 Z: 22 37.320 2.183 0.773 0.925 1.000 0.619 CB 1.478 22 residues pruned to eliminate duplicates Z: 20 31.832 2.307 0.464 0.914 1.000 0.789 CB 1.529 20 residues pruned to eliminate duplicates Z: 23 28.864 2.221 0.489 0.683 0.955 0.773 CA 1.647 23 residues pruned to eliminate duplicates Z: 19 36.613 2.187 0.704 0.921 1.000 0.556 CA 1.630 19 residues pruned to eliminate duplicates Z: 10 14.550 2.019 0.497 0.885 1.000 0.778 CB 1.159 Z: 12 11.172 1.809 0.642 0.442 0.818 0.455 N 1.471 Z: 12 16.829 1.796 0.911 0.726 0.909 0.818 CA 1.327 10 residues pruned to eliminate duplicates Z: 18 30.105 2.055 0.976 0.908 1.000 0.706 CA 1.276 18 residues pruned to eliminate duplicates Z: 17 10.991 1.996 0.453 0.414 0.688 0.312 CB 1.508 17 residues pruned to eliminate duplicates Z: 11 18.407 2.154 0.734 0.700 1.000 0.800 CB 1.299 11 residues pruned to eliminate duplicates Z: 14 10.580 1.823 0.382 0.471 0.923 0.692 CB 1.299 Z: 23 36.797 2.052 0.697 0.930 0.955 0.591 CB 1.651 23 residues pruned to eliminate duplicates Z: 7 10.963 2.148 0.264 0.520 0.833 0.667 C 1.939 Z: 13 12.294 1.944 0.403 0.507 0.833 0.750 CA 1.551 Z: 11 11.822 1.988 0.422 0.592 0.900 0.800 CA 1.345 11 residues pruned to eliminate duplicates Z: 15 11.867 1.895 0.598 0.430 0.929 0.714 CB 1.212 15 residues pruned to eliminate duplicates Z: 12 12.903 1.994 0.602 0.487 0.909 0.545 CB 1.357 12 residues pruned to eliminate duplicates Z: 20 30.381 2.228 0.708 0.894 1.000 0.684 CB 1.314 20 residues pruned to eliminate duplicates Z: 9 5.144 1.920 0.221 0.357 0.875 0.500 CB 1.034 Z: 18 14.101 2.107 0.398 0.456 0.765 0.471 CB 1.588 18 residues pruned to eliminate duplicates Z: 14 33.915 2.369 0.711 0.933 1.000 0.769 CB 1.619 14 residues pruned to eliminate duplicates Z: 22 35.225 2.090 0.635 0.924 1.000 0.857 CB 1.579 21 residues pruned to eliminate duplicates Z: 22 39.573 2.123 0.697 0.918 1.000 0.714 CB 1.690 23 residues pruned to eliminate duplicates Z: 11 12.437 1.942 0.489 0.486 0.900 0.700 N 1.533 12 residues pruned to eliminate duplicates Z: 20 28.761 2.059 0.817 0.920 1.000 0.842 CA 1.242 20 residues pruned to eliminate duplicates Z: 18 10.391 2.077 0.088 0.363 0.824 0.588 CB 1.570 18 residues pruned to eliminate duplicates Z: 10 17.075 1.941 0.730 0.817 1.000 0.556 CB 1.288 12 residues pruned to eliminate duplicates Z: 19 32.252 2.122 0.595 0.919 0.944 0.778 CB 1.676 19 residues pruned to eliminate duplicates Z: 13 12.514 2.029 0.195 0.542 0.917 0.583 CB 1.561 Z: 18 37.102 2.203 0.818 0.902 0.941 0.647 CA 1.703 18 residues pruned to eliminate duplicates Z: 16 36.628 2.317 0.609 0.939 1.000 0.667 CB 1.763 16 residues pruned to eliminate duplicates Z: 10 9.462 1.906 0.845 0.415 0.889 0.556 CA 1.103 10 residues pruned to eliminate duplicates Z: 6 4.843 1.622 0.520 0.578 1.000 0.600 CB 0.815 6 residues pruned to eliminate duplicates Z: 9 19.338 2.172 0.609 0.890 1.000 0.875 CA 1.407 9 residues pruned to eliminate duplicates Z: 61 29.212 2.076 0.480 0.396 0.917 0.533 CA 1.495 53 residues pruned to eliminate duplicates Z: 10 11.475 2.021 0.406 0.856 0.889 0.778 CB 1.116 10 residues pruned to eliminate duplicates Z: 22 33.565 2.120 0.608 0.925 0.952 0.762 CB 1.583 22 residues pruned to eliminate duplicates Z: 15 16.005 1.952 0.616 0.546 0.786 0.429 CA 1.650 13 residues pruned to eliminate duplicates Z: 21 10.155 1.927 0.249 0.328 0.700 0.550 CB 1.629 17 residues pruned to eliminate duplicates Z: 19 30.862 2.327 0.455 0.920 1.000 0.611 CB 1.513 19 residues pruned to eliminate duplicates Z: 22 38.226 2.164 0.998 0.892 0.952 0.619 CB 1.455 22 residues pruned to eliminate duplicates Z: 6 9.042 2.139 0.090 0.681 1.000 0.600 CB 1.469 Z: 47 31.654 2.099 0.537 0.566 0.913 0.674 CB 1.486 20 residues pruned to eliminate duplicates Z: 27 21.422 2.196 0.478 0.426 0.885 0.538 CB 1.580 27 residues pruned to eliminate duplicates Z: 13 21.430 2.204 0.698 0.824 0.833 0.583 CB 1.498 13 residues pruned to eliminate duplicates Z: 21 37.699 2.175 0.779 0.917 0.950 0.550 CA 1.619 21 residues pruned to eliminate duplicates Z: 22 36.284 2.064 0.771 0.930 1.000 0.905 CA 1.515 22 residues pruned to eliminate duplicates Z: 14 12.995 1.979 0.480 0.421 0.769 0.538 CB 1.737 14 residues pruned to eliminate duplicates Z: 26 31.870 2.246 0.701 0.697 0.880 0.760 CB 1.583 26 residues pruned to eliminate duplicates Z: 12 5.211 1.661 0.479 0.240 0.727 0.455 CA 1.189 Z: 11 7.167 1.936 0.184 0.430 0.800 0.500 CB 1.328 11 residues pruned to eliminate duplicates Z: 22 33.915 2.079 0.809 0.923 1.000 0.810 CB 1.383 22 residues pruned to eliminate duplicates Z: 10 6.529 1.661 0.167 0.273 1.000 0.667 C 1.452 Z: 35 34.331 2.119 0.696 0.689 0.882 0.706 CA 1.561 35 residues pruned to eliminate duplicates Z: 21 26.918 2.069 0.440 0.905 1.000 0.900 CA 1.438 21 residues pruned to eliminate duplicates Z: 14 11.505 1.869 0.567 0.553 1.000 0.615 CB 1.034 14 residues pruned to eliminate duplicates Z: 10 11.182 1.846 0.488 0.608 1.000 0.444 CA 1.225 10 residues pruned to eliminate duplicates Z: 15 12.287 1.761 0.723 0.477 1.000 0.714 CB 1.107 Z: 16 15.720 1.950 0.743 0.503 0.933 0.667 CB 1.275 15 residues pruned to eliminate duplicates Z: 16 12.915 2.072 0.613 0.465 0.800 0.667 CB 1.291 16 residues pruned to eliminate duplicates Z: 21 26.117 2.119 0.492 0.893 0.900 0.450 CB 1.473 21 residues pruned to eliminate duplicates Z: 45 32.789 2.155 0.565 0.573 0.932 0.659 CB 1.465 45 residues pruned to eliminate duplicates Z: 11 11.625 1.837 0.841 0.472 0.800 0.500 CA 1.398 Z: 44 30.239 2.138 0.463 0.574 0.907 0.744 CA 1.514 44 residues pruned to eliminate duplicates Z: 17 9.759 2.024 0.255 0.340 0.812 0.438 CB 1.407 17 residues pruned to eliminate duplicates Z: 20 49.331 2.325 1.090 0.950 1.000 0.579 CB 1.607 20 residues pruned to eliminate duplicates Z: 54 29.076 2.179 0.594 0.351 0.868 0.491 CB 1.557 59 residues pruned to eliminate duplicates Z: 7 10.729 1.799 0.601 0.897 1.000 1.000 CB 1.088 Z: 10 6.100 1.863 0.262 0.504 0.889 0.778 CB 0.969 Z: 29 24.542 2.000 0.750 0.674 0.893 0.643 CA 1.263 28 residues pruned to eliminate duplicates Z: 11 8.534 1.903 0.482 0.245 0.800 0.300 N 1.605 9 residues pruned to eliminate duplicates Z: 22 41.198 2.166 0.886 0.923 1.000 0.810 CB 1.546 22 residues pruned to eliminate duplicates Z: 10 18.875 2.065 0.750 0.737 0.889 0.778 CB 1.583 10 residues pruned to eliminate duplicates Z: 22 21.438 2.090 0.283 0.844 0.952 0.619 CB 1.363 22 residues pruned to eliminate duplicates Z: 18 24.024 2.056 0.835 0.893 0.941 0.647 CA 1.178 19 residues pruned to eliminate duplicates Z: 13 8.389 1.748 0.519 0.417 0.750 0.583 N 1.326 13 residues pruned to eliminate duplicates Z: 10 5.108 1.787 0.170 0.480 0.889 0.556 CB 0.936 Z: 10 5.741 1.796 0.101 0.434 0.778 0.444 CB 1.332 Z: 9 6.094 1.772 0.099 0.359 1.000 0.625 CA 1.288 10 residues pruned to eliminate duplicates Z: 11 5.729 1.779 0.342 0.489 0.800 0.800 CA 0.959 Z: 26 13.575 1.919 0.557 0.374 0.760 0.280 CB 1.368 13 residues pruned to eliminate duplicates Z: 8 8.542 1.687 0.989 0.478 0.857 0.571 CA 1.147 8 residues pruned to eliminate duplicates Z: 7 7.706 2.021 0.317 0.578 1.000 0.833 CA 1.097 7 residues pruned to eliminate duplicates Z: 17 27.949 2.111 0.915 0.951 1.000 0.938 CA 1.192 17 residues pruned to eliminate duplicates Z: 9 2.923 1.732 0.309 0.323 0.750 0.375 CB 0.738 Z: 13 6.753 1.854 0.522 0.224 0.833 0.333 CB 1.145 10 residues pruned to eliminate duplicates 7 1.438 1.448 0.031 0.604 1.000 0.500 CB 0.356 ? Z: 21 40.510 2.207 0.989 0.905 1.000 0.650 CB 1.468 21 residues pruned to eliminate duplicates Z: 10 18.687 2.106 0.439 0.838 1.000 0.444 CB 1.536 8 residues pruned to eliminate duplicates Z: 20 30.535 2.235 0.463 0.937 1.000 1.000 CB 1.491 20 residues pruned to eliminate duplicates Z: 8 8.722 1.779 0.213 0.811 0.857 0.429 CB 1.359 7 residues pruned to eliminate duplicates Z: 8 8.154 1.608 0.506 0.838 1.000 1.000 CA 0.951 8 residues pruned to eliminate duplicates Z: 19 14.656 2.068 0.482 0.437 0.889 0.500 CB 1.352 19 residues pruned to eliminate duplicates Z: 20 40.127 2.169 0.914 0.915 0.947 0.789 CA 1.655 20 residues pruned to eliminate duplicates Z: 24 10.806 1.840 0.315 0.318 0.826 0.435 N 1.378 20 residues pruned to eliminate duplicates Z: 28 20.219 2.210 0.361 0.451 0.889 0.444 CB 1.530 28 residues pruned to eliminate duplicates Z: 22 41.049 2.209 0.807 0.947 1.000 0.667 CB 1.551 22 residues pruned to eliminate duplicates Z: 13 12.461 1.798 0.829 0.575 0.917 0.833 CB 1.111 13 residues pruned to eliminate duplicates Z: 9 12.102 1.963 0.320 0.587 1.000 0.750 N 1.520 9 residues pruned to eliminate duplicates Z: 19 15.669 2.056 0.927 0.345 0.833 0.556 CB 1.324 19 residues pruned to eliminate duplicates Z: 11 12.369 2.232 0.416 0.451 0.800 0.300 CB 1.626 11 residues pruned to eliminate duplicates Z: 21 36.581 2.165 0.673 0.908 0.950 0.650 CB 1.689 21 residues pruned to eliminate duplicates Z: 11 9.254 2.071 0.307 0.382 0.900 0.500 CA 1.362 10 residues pruned to eliminate duplicates Z: 16 7.803 1.782 0.473 0.352 0.800 0.600 CB 1.127 22 residues pruned to eliminate duplicates Z: 11 18.909 2.200 0.449 0.861 1.000 0.400 CB 1.378 11 residues pruned to eliminate duplicates Z: 20 9.682 1.829 0.346 0.380 0.895 0.421 CB 1.145 20 residues pruned to eliminate duplicates Z: 22 27.244 2.037 0.456 0.889 0.952 0.762 CA 1.516 21 residues pruned to eliminate duplicates Z: 15 13.291 1.969 0.416 0.529 0.929 0.357 CB 1.333 16 residues pruned to eliminate duplicates Z: 50 33.187 2.214 0.515 0.523 0.939 0.510 CB 1.472 102 residues pruned to eliminate duplicates Z: 12 19.192 1.994 0.603 0.624 1.000 0.364 CA 1.610 14 residues pruned to eliminate duplicates Z: 30 37.737 2.223 0.616 0.746 0.931 0.759 CA 1.681 30 residues pruned to eliminate duplicates Z: 22 31.411 2.121 0.878 0.915 0.810 0.381 CB 1.502 23 residues pruned to eliminate duplicates Z: 12 14.330 2.065 0.639 0.586 0.909 0.818 CB 1.294 11 residues pruned to eliminate duplicates Z: 13 7.767 1.792 0.483 0.375 0.750 0.417 N 1.286 13 residues pruned to eliminate duplicates Z: 22 28.870 2.011 0.530 0.910 1.000 0.857 CA 1.452 22 residues pruned to eliminate duplicates Z: 22 38.647 2.184 0.731 0.920 1.000 0.905 CB 1.571 22 residues pruned to eliminate duplicates Z: 10 17.636 1.910 0.964 0.862 1.000 1.000 CA 1.151 11 residues pruned to eliminate duplicates Z: 28 21.116 2.108 0.496 0.427 0.926 0.593 CA 1.501 Z: 53 25.436 2.009 0.455 0.418 0.904 0.558 CB 1.454 53 residues pruned to eliminate duplicates Z: 15 12.358 1.889 0.575 0.532 0.857 0.571 CA 1.255 15 residues pruned to eliminate duplicates Z: 11 18.404 2.077 0.775 0.638 1.000 0.700 CB 1.388 9 residues pruned to eliminate duplicates Z: 22 37.958 2.186 0.655 0.906 1.000 0.905 CB 1.628 22 residues pruned to eliminate duplicates Z: 15 11.918 1.950 0.525 0.416 0.714 0.714 N 1.638 15 residues pruned to eliminate duplicates Z: 12 12.123 1.912 0.598 0.435 0.909 0.636 CB 1.406 Z: 17 12.684 1.942 0.587 0.422 0.875 0.562 CB 1.276 17 residues pruned to eliminate duplicates Z: 12 6.461 1.719 0.154 0.460 0.818 0.636 CA 1.250 12 residues pruned to eliminate duplicates Z: 7 6.896 1.804 0.268 0.672 1.000 0.833 CB 1.050 7 residues pruned to eliminate duplicates Z: 8 4.461 1.688 0.803 0.260 0.714 0.571 CB 1.021 Z: 22 32.588 2.073 0.575 0.885 0.952 0.667 CB 1.650 22 residues pruned to eliminate duplicates Z: 10 15.767 1.780 0.785 0.774 1.000 0.556 CA 1.298 10 residues pruned to eliminate duplicates Z: 16 12.702 2.018 0.372 0.436 0.933 0.467 CA 1.356 16 residues pruned to eliminate duplicates Z: 9 4.052 1.485 0.111 0.344 0.875 0.500 N 1.176 Z: 9 4.771 1.888 0.603 0.353 0.625 0.250 CB 1.045 9 residues pruned to eliminate duplicates Z: 8 9.105 1.766 0.198 0.875 0.857 0.571 CB 1.380 8 residues pruned to eliminate duplicates Z: 18 37.923 2.108 0.859 0.898 1.000 0.647 CB 1.680 18 residues pruned to eliminate duplicates Z: 6 5.711 1.684 0.351 0.536 0.800 0.800 CB 1.354 Z: 10 5.597 1.639 0.285 0.292 0.889 0.778 CA 1.258 10 residues pruned to eliminate duplicates Z: 17 13.458 2.105 0.798 0.286 0.750 0.500 CB 1.509 17 residues pruned to eliminate duplicates Z: 11 12.616 2.008 0.616 0.626 0.800 0.700 CB 1.366 11 residues pruned to eliminate duplicates Z: 8 7.418 1.580 0.477 0.642 1.000 0.571 CA 1.052 7 residues pruned to eliminate duplicates Z: 12 9.758 1.782 0.655 0.422 0.909 0.636 CB 1.189 11 residues pruned to eliminate duplicates Z: 9 6.287 1.916 1.155 0.295 0.500 0.375 CA 1.354 9 residues pruned to eliminate duplicates Z: 22 35.986 2.081 0.648 0.941 1.000 0.571 CB 1.589 22 residues pruned to eliminate duplicates Z: 6 4.142 1.929 -0.050 0.583 0.800 0.600 CB 1.168 6 residues pruned to eliminate duplicates Z: 7 2.421 1.673 0.060 0.396 0.667 0.500 CB 0.933 Z: 7 2.064 1.415 0.881 0.246 0.667 0.500 CB 0.636 Z: 8 7.574 1.772 0.431 0.381 0.857 0.429 CB 1.495 8 residues pruned to eliminate duplicates Z: 13 9.559 1.967 0.524 0.353 0.833 0.417 CB 1.295 Z: 8 4.331 1.664 0.443 0.486 0.571 0.286 CB 1.211 Z: 17 9.159 1.899 0.395 0.417 0.625 0.312 CA 1.509 18 residues pruned to eliminate duplicates Z: 20 41.227 2.216 0.893 0.943 1.000 0.526 CB 1.562 20 residues pruned to eliminate duplicates Z: 10 8.046 1.947 0.418 0.470 0.778 0.556 CB 1.288 10 residues pruned to eliminate duplicates Z: 10 6.017 1.752 0.265 0.487 0.778 0.444 CB 1.178 Z: 42 22.215 2.078 0.522 0.344 0.927 0.537 CB 1.403 70 residues pruned to eliminate duplicates Z: 13 7.814 1.831 0.163 0.471 0.833 0.333 CB 1.309 Z: 22 34.304 2.076 1.101 0.915 0.905 0.238 CB 1.340 22 residues pruned to eliminate duplicates Z: 20 27.835 2.013 1.065 0.931 0.895 0.579 CA 1.199 21 residues pruned to eliminate duplicates Z: 7 8.410 2.025 0.426 0.511 0.833 0.833 CA 1.411 7 residues pruned to eliminate duplicates Z: 8 5.814 1.691 0.158 0.758 0.857 0.857 CB 1.040 10 residues pruned to eliminate duplicates Z: 12 4.738 1.855 0.240 0.321 0.909 0.455 CA 0.833 12 residues pruned to eliminate duplicates Z: 18 12.236 2.069 0.364 0.347 0.824 0.471 CB 1.506 7 residues pruned to eliminate duplicates Z: 8 7.575 1.716 0.194 0.866 0.857 0.857 CB 1.194 8 residues pruned to eliminate duplicates Z: 10 8.701 2.006 0.341 0.317 0.889 0.333 CA 1.485 Z: 7 4.091 1.686 0.158 0.546 0.833 0.833 CB 0.981 7 residues pruned to eliminate duplicates Z: 14 13.651 1.807 0.767 0.605 0.846 0.769 CB 1.269 14 residues pruned to eliminate duplicates Z: 19 11.147 1.799 0.532 0.427 0.889 0.389 CB 1.157 24 residues pruned to eliminate duplicates Z: 22 27.159 2.167 0.509 0.675 0.952 0.762 CB 1.619 22 residues pruned to eliminate duplicates Z: 16 21.835 1.979 0.885 0.894 0.867 0.600 CA 1.251 16 residues pruned to eliminate duplicates Z: 9 6.468 1.804 0.630 0.412 0.750 0.625 CB 1.137 8 residues pruned to eliminate duplicates Z: 13 7.583 1.663 0.477 0.429 0.833 0.500 CB 1.151 7 residues pruned to eliminate duplicates Z: 6 5.315 1.654 0.341 0.668 0.800 0.600 CA 1.147 5 residues pruned to eliminate duplicates Z: 53 31.227 2.120 0.707 0.362 0.904 0.596 CB 1.536 53 residues pruned to eliminate duplicates Z: 6 7.435 1.773 0.779 0.485 1.000 0.800 CB 1.070 Z: 11 17.740 1.933 0.795 0.837 1.000 0.800 CA 1.210 11 residues pruned to eliminate duplicates Z: 8 4.287 1.559 0.338 0.276 0.857 0.429 C 1.168 Z: 9 4.734 1.740 0.343 0.280 0.750 0.500 N 1.225 3 residues pruned to eliminate duplicates Z: 12 12.359 1.845 0.350 0.703 0.909 0.818 CA 1.368 12 residues pruned to eliminate duplicates Z: 15 24.692 2.208 0.494 0.909 1.000 0.857 CA 1.420 14 residues pruned to eliminate duplicates Z: 13 11.279 1.800 0.345 0.506 1.000 0.833 CA 1.336 14 residues pruned to eliminate duplicates Z: 21 21.441 2.082 0.577 0.611 0.900 0.700 CB 1.461 21 residues pruned to eliminate duplicates Z: 21 28.045 2.131 0.560 0.911 0.900 0.500 CB 1.485 21 residues pruned to eliminate duplicates Z: 9 4.960 1.876 0.365 0.495 0.750 0.500 CB 0.917 9 residues pruned to eliminate duplicates Z: 8 6.256 1.741 0.457 0.440 0.857 0.714 CB 1.157 12 residues pruned to eliminate duplicates Z: 8 4.862 1.701 0.043 0.456 1.000 0.714 CB 1.084 8 residues pruned to eliminate duplicates Z: 6 3.774 1.421 0.221 0.656 0.800 0.800 O 1.052 Z: 13 11.288 1.823 0.631 0.478 0.833 0.583 CB 1.345 10 residues pruned to eliminate duplicates Z: 10 9.023 1.764 0.210 0.482 1.000 0.667 CA 1.434 4 residues pruned to eliminate duplicates Z: 7 4.815 1.713 0.080 0.596 1.000 0.667 CB 0.969 Z: 17 8.099 1.610 0.335 0.430 0.812 0.812 CB 1.247 12 residues pruned to eliminate duplicates Z: 9 9.335 1.971 0.334 0.509 1.000 0.500 CB 1.243 9 residues pruned to eliminate duplicates Z: 12 11.201 2.113 0.382 0.488 0.818 0.636 CA 1.431 12 residues pruned to eliminate duplicates Z: 10 10.525 1.747 0.804 0.435 0.889 0.556 CB 1.339 10 residues pruned to eliminate duplicates Z: 21 18.747 1.951 0.592 0.832 0.750 0.250 CB 1.352 21 residues pruned to eliminate duplicates Z: 11 9.060 1.809 0.251 0.424 0.900 0.500 N 1.521 11 residues pruned to eliminate duplicates Z: 8 12.051 1.922 0.507 0.861 0.857 0.571 CA 1.348 8 residues pruned to eliminate duplicates Z: 10 6.297 1.683 0.346 0.326 0.889 0.444 N 1.262 Z: 26 21.640 2.106 0.652 0.403 0.960 0.680 CB 1.435 26 residues pruned to eliminate duplicates Z: 10 8.023 1.926 0.266 0.581 0.778 0.556 CA 1.306 10 residues pruned to eliminate duplicates Z: 10 9.816 1.782 0.674 0.532 0.778 0.556 N 1.366 10 residues pruned to eliminate duplicates Z: 8 5.483 1.538 0.634 0.584 0.714 0.429 CB 1.065 Z: 26 14.160 1.834 0.580 0.434 0.840 0.680 CB 1.245 33 residues pruned to eliminate duplicates Z: 12 12.193 2.154 0.683 0.446 0.727 0.364 CB 1.475 12 residues pruned to eliminate duplicates Z: 13 16.356 1.843 1.017 0.475 0.833 0.667 CB 1.563 12 residues pruned to eliminate duplicates Z: 9 9.562 1.607 0.332 0.812 0.875 0.375 CB 1.375 9 residues pruned to eliminate duplicates Z: 13 7.864 1.869 0.505 0.388 0.750 0.583 CB 1.212 13 residues pruned to eliminate duplicates Z: 21 13.780 1.979 0.543 0.319 0.950 0.600 CB 1.296 Z: 13 4.798 1.640 0.513 0.203 0.667 0.417 CB 1.191 7 residues pruned to eliminate duplicates Z: 8 12.135 2.069 0.546 0.654 0.857 0.714 CB 1.449 8 residues pruned to eliminate duplicates Z: 9 6.369 1.793 0.214 0.508 1.000 0.875 CB 1.026 6 residues pruned to eliminate duplicates Z: 31 16.874 2.045 0.455 0.377 0.900 0.533 CB 1.313 31 residues pruned to eliminate duplicates Z: 8 5.015 1.825 0.446 0.118 0.857 0.429 CB 1.356 Z: 9 13.790 1.793 0.716 0.655 1.000 0.875 CA 1.372 Z: 20 30.201 2.076 0.964 0.908 0.947 0.684 CA 1.273 20 residues pruned to eliminate duplicates Z: 32 22.469 2.085 0.324 0.607 0.935 0.645 CB 1.412 32 residues pruned to eliminate duplicates Z: 12 9.792 1.772 0.461 0.593 0.909 0.636 CA 1.149 11 residues pruned to eliminate duplicates Z: 16 23.941 2.278 0.363 0.862 0.933 0.867 CB 1.566 16 residues pruned to eliminate duplicates Z: 8 2.329 1.249 0.083 0.469 0.714 0.429 C 0.941 Z: 6 7.304 1.577 0.441 0.746 1.000 0.400 CB 1.154 6 residues pruned to eliminate duplicates Z: 10 13.193 2.012 0.599 0.489 0.889 0.556 N 1.555 10 residues pruned to eliminate duplicates Z: 7 2.918 1.570 0.134 0.320 0.833 0.667 CB 0.979 Z: 8 5.108 1.642 0.330 0.457 0.857 0.714 CA 1.078 15 residues pruned to eliminate duplicates Z: 6 3.943 1.582 0.391 0.573 0.600 0.600 CA 1.245 6 residues pruned to eliminate duplicates Z: 11 8.126 2.048 0.186 0.413 0.900 0.700 CA 1.288 11 residues pruned to eliminate duplicates Z: 10 6.181 1.810 0.198 0.481 0.778 0.444 CB 1.245 10 residues pruned to eliminate duplicates Z: 6 3.429 1.352 0.536 0.640 0.800 0.400 N 0.810 Z: 22 33.610 2.131 0.604 0.924 0.952 0.571 CB 1.583 22 residues pruned to eliminate duplicates Z: 19 12.758 1.790 0.515 0.453 0.833 0.444 CB 1.397 19 residues pruned to eliminate duplicates Z: 10 8.281 1.789 0.349 0.556 0.889 0.556 CB 1.218 14 residues pruned to eliminate duplicates Z: 18 15.713 2.107 0.454 0.466 0.824 0.588 CB 1.564 18 residues pruned to eliminate duplicates Z: 6 2.610 1.730 -0.041 0.296 0.800 0.400 CB 1.105 Z: 12 7.415 1.845 0.355 0.368 0.818 0.455 CB 1.259 17 residues pruned to eliminate duplicates Z: 8 8.794 1.883 0.293 0.554 0.857 0.571 N 1.510 8 residues pruned to eliminate duplicates Z: 6 3.050 2.011 -0.166 0.341 1.000 0.600 CB 0.967 Z: 7 6.491 1.900 0.037 0.889 0.833 0.667 CB 1.162 7 residues pruned to eliminate duplicates Z: 8 13.752 1.974 0.819 0.823 1.000 0.429 CA 1.093 8 residues pruned to eliminate duplicates Z: 14 5.643 1.646 0.262 0.324 0.846 0.615 CB 1.080 13 residues pruned to eliminate duplicates Z: 7 5.655 1.582 0.553 0.397 1.000 0.667 CA 1.048 Z: 13 23.019 2.051 1.199 0.895 0.833 0.583 CA 1.267 13 residues pruned to eliminate duplicates 6 1.465 1.661 0.050 0.249 0.800 0.400 CB 0.627 ? Z: 7 4.483 1.484 0.097 0.454 1.000 0.500 C 1.178 3 residues pruned to eliminate duplicates Z: 16 11.295 1.721 0.664 0.430 0.867 0.467 CB 1.264 11 residues pruned to eliminate duplicates Z: 9 7.108 1.789 0.293 0.529 0.750 0.625 CB 1.408 9 residues pruned to eliminate duplicates Z: 19 10.770 1.863 0.345 0.400 0.889 0.389 CB 1.267 17 residues pruned to eliminate duplicates Z: 17 10.614 1.890 0.350 0.403 0.750 0.562 CB 1.536 17 residues pruned to eliminate duplicates Z: 17 10.530 2.065 0.330 0.354 0.750 0.438 CB 1.496 17 residues pruned to eliminate duplicates Z: 6 2.733 1.274 0.430 0.554 0.800 0.600 N 0.796 Z: 11 6.598 1.851 0.448 0.313 0.700 0.500 CB 1.367 11 residues pruned to eliminate duplicates Z: 28 20.715 2.057 0.154 0.615 0.963 0.704 CB 1.564 28 residues pruned to eliminate duplicates Z: 11 9.385 2.124 0.077 0.436 1.000 0.800 CB 1.386 11 residues pruned to eliminate duplicates Z: 11 7.759 1.851 0.178 0.903 0.900 0.800 CB 0.891 11 residues pruned to eliminate duplicates Z: 8 10.496 1.686 0.900 0.777 1.000 0.714 CB 0.970 8 residues pruned to eliminate duplicates Z: 14 6.941 1.654 0.481 0.290 0.692 0.385 CA 1.437 14 residues pruned to eliminate duplicates Z: 8 5.893 1.774 0.150 0.433 0.857 0.429 CB 1.365 8 residues pruned to eliminate duplicates Z: 8 5.364 1.418 0.463 0.553 0.857 0.286 CA 1.084 6 residues pruned to eliminate duplicates Z: 13 4.606 1.554 0.271 0.280 0.750 0.500 CB 1.152 Z: 6 4.239 1.612 0.918 0.299 0.600 0.400 C 1.280 Z: 10 12.818 1.859 0.574 0.546 0.889 0.667 O 1.570 10 residues pruned to eliminate duplicates Z: 49 26.123 2.112 0.563 0.339 0.917 0.542 CA 1.485 49 residues pruned to eliminate duplicates Z: 18 10.581 1.834 0.596 0.313 0.765 0.412 CA 1.409 18 residues pruned to eliminate duplicates Z: 12 12.817 1.930 0.364 0.627 0.909 0.727 CA 1.433 12 residues pruned to eliminate duplicates Z: 8 7.122 1.601 0.717 0.411 1.000 0.571 CB 1.075 Z: 34 19.289 2.061 0.533 0.402 0.879 0.545 CB 1.340 34 residues pruned to eliminate duplicates Z: 15 9.585 1.835 0.524 0.380 0.929 0.500 CA 1.121 Z: 16 13.307 2.157 0.554 0.400 0.800 0.600 CB 1.424 16 residues pruned to eliminate duplicates Z: 43 21.256 2.056 0.525 0.325 0.905 0.524 CB 1.401 43 residues pruned to eliminate duplicates Z: 6 6.267 1.778 0.716 0.536 0.800 0.400 CB 1.108 Z: 47 38.943 2.139 0.659 0.618 0.935 0.609 CA 1.549 48 residues pruned to eliminate duplicates Z: 6 5.427 1.862 0.054 0.507 0.800 0.400 CA 1.536 6 residues pruned to eliminate duplicates Z: 21 25.301 1.933 0.739 0.894 0.950 0.650 CA 1.270 21 residues pruned to eliminate duplicates Z: 11 12.544 1.817 0.427 0.733 1.000 0.500 CA 1.241 11 residues pruned to eliminate duplicates Z: 9 7.230 1.712 0.642 0.457 0.875 0.500 CB 1.086 9 residues pruned to eliminate duplicates 7 1.278 1.305 0.377 0.221 0.500 0.333 N 0.806 ? Z: 16 10.909 1.912 0.770 0.258 0.867 0.533 CB 1.268 16 residues pruned to eliminate duplicates Z: 7 4.356 1.263 0.786 0.826 1.000 1.000 CB 0.595 Z: 10 14.187 1.780 0.804 0.529 1.000 0.778 CB 1.431 10 residues pruned to eliminate duplicates Z: 11 4.773 1.552 0.267 0.307 0.800 0.400 N 1.189 11 residues pruned to eliminate duplicates Z: 11 4.576 1.411 0.220 0.367 0.800 0.500 CB 1.212 11 residues pruned to eliminate duplicates Z: 7 8.957 1.962 0.188 0.831 0.833 0.833 CB 1.415 7 residues pruned to eliminate duplicates Z: 15 8.980 1.876 0.770 0.371 0.714 0.571 CB 1.162 15 residues pruned to eliminate duplicates Z: 52 28.729 2.151 0.506 0.375 0.941 0.529 CB 1.508 52 residues pruned to eliminate duplicates Z: 11 6.893 1.681 0.166 0.474 1.000 0.900 CB 1.142 Z: 19 31.806 2.159 0.787 0.914 1.000 0.722 CB 1.374 19 residues pruned to eliminate duplicates Z: 9 12.285 1.931 0.591 0.688 1.000 0.750 CB 1.190 Z: 7 7.341 1.827 0.325 0.374 1.000 0.500 CA 1.416 7 residues pruned to eliminate duplicates Z: 36 24.514 2.070 0.492 0.471 0.914 0.600 CA 1.511 36 residues pruned to eliminate duplicates Z: 15 14.254 2.115 0.489 0.421 0.786 0.429 CB 1.671 15 residues pruned to eliminate duplicates Z: 6 5.743 1.833 0.277 0.723 0.800 0.800 CA 1.122 Z: 14 5.175 1.795 0.168 0.353 0.769 0.462 CB 1.044 13 residues pruned to eliminate duplicates Z: 8 7.714 1.630 0.756 0.483 0.857 0.571 N 1.209 8 residues pruned to eliminate duplicates Z: 16 15.331 1.964 0.546 0.610 0.867 0.533 CA 1.354 15 residues pruned to eliminate duplicates Z: 11 5.124 1.492 0.297 0.444 0.800 0.400 CB 1.110 9 1.137 1.268 0.373 0.185 0.500 0.500 CA 0.675 ? Z: 13 15.189 1.945 0.667 0.588 0.917 0.667 CB 1.357 11 residues pruned to eliminate duplicates 6 1.499 1.511 -0.209 0.298 0.800 0.400 CB 0.878 ? Z: 15 11.606 1.974 0.525 0.450 0.929 0.714 CB 1.168 15 residues pruned to eliminate duplicates Z: 11 12.100 1.981 0.563 0.579 0.800 0.700 CA 1.433 10 residues pruned to eliminate duplicates Z: 6 2.729 1.337 0.509 0.400 0.800 0.600 CA 0.840 Z: 7 5.191 1.557 0.410 0.726 0.833 0.500 CB 0.945 6 residues pruned to eliminate duplicates Z: 15 11.386 2.002 0.535 0.421 0.714 0.500 CB 1.505 15 residues pruned to eliminate duplicates Z: 23 35.657 2.069 0.686 0.945 1.000 0.864 CB 1.508 23 residues pruned to eliminate duplicates Z: 26 13.993 1.910 0.658 0.283 0.880 0.400 CB 1.283 21 residues pruned to eliminate duplicates Z: 56 22.948 2.046 0.496 0.309 0.927 0.509 CB 1.348 56 residues pruned to eliminate duplicates Z: 9 9.370 2.119 0.460 0.507 0.875 0.500 CB 1.215 11 residues pruned to eliminate duplicates Z: 27 15.437 1.903 0.540 0.329 0.846 0.423 CB 1.472 30 residues pruned to eliminate duplicates Z: 9 5.901 1.559 0.584 0.401 0.875 0.250 CB 1.071 Z: 8 6.531 1.807 0.412 0.423 0.857 0.571 CB 1.223 Z: 19 9.889 1.862 0.533 0.322 0.778 0.444 CB 1.277 19 residues pruned to eliminate duplicates Z: 20 40.616 2.254 0.956 0.907 0.947 0.526 CB 1.585 20 residues pruned to eliminate duplicates Z: 6 3.486 1.874 -0.321 0.694 0.800 0.800 CA 1.282 5 residues pruned to eliminate duplicates Z: 10 6.569 1.634 0.087 0.440 0.889 0.667 CB 1.475 9 residues pruned to eliminate duplicates Z: 7 4.434 1.558 0.449 0.404 1.000 0.667 CB 0.887 Z: 19 10.235 1.973 0.356 0.339 0.778 0.611 CA 1.383 19 residues pruned to eliminate duplicates Z: 7 6.901 1.310 1.113 0.777 1.000 0.333 CA 0.798 7 residues pruned to eliminate duplicates 6 1.911 1.262 0.170 0.561 1.000 0.600 CB 0.545 ? Z: 9 13.093 1.954 0.515 0.448 1.000 0.750 O 1.650 9 residues pruned to eliminate duplicates Z: 6 2.658 1.433 0.476 0.353 0.800 0.600 N 0.824 Z: 15 9.177 1.753 0.482 0.462 0.857 0.643 CB 1.145 23 residues pruned to eliminate duplicates Z: 7 2.613 1.332 0.419 0.534 0.833 0.333 C 0.655 Z: 8 8.303 1.691 0.666 0.551 0.857 0.714 CB 1.237 8 residues pruned to eliminate duplicates Z: 8 4.848 1.569 0.077 0.533 0.857 0.571 N 1.225 Z: 6 3.146 1.942 0.446 0.550 0.800 0.600 CB 0.596 6 residues pruned to eliminate duplicates Z: 14 7.409 1.744 0.564 0.452 0.692 0.308 CB 1.143 10 residues pruned to eliminate duplicates Z: 54 22.469 2.064 0.414 0.327 0.887 0.472 CB 1.442 54 residues pruned to eliminate duplicates Z: 12 12.988 1.930 0.319 0.635 0.909 0.727 CA 1.491 12 residues pruned to eliminate duplicates Z: 12 16.579 2.084 0.549 0.601 1.000 0.818 CB 1.407 13 residues pruned to eliminate duplicates Z: 7 6.516 1.625 0.613 0.439 0.833 0.667 N 1.296 7 residues pruned to eliminate duplicates Z: 6 5.456 1.542 0.359 0.733 1.000 0.800 CA 0.944 6 residues pruned to eliminate duplicates 6 1.517 1.357 0.207 0.292 0.600 0.600 CB 0.871 ? Z: 12 25.049 2.346 0.538 0.884 1.000 0.818 CA 1.513 12 residues pruned to eliminate duplicates Z: 28 25.833 2.073 0.667 0.732 1.000 0.815 CA 1.168 28 residues pruned to eliminate duplicates Z: 12 4.260 1.841 0.402 0.143 0.545 0.364 CB 1.419 Z: 8 19.298 2.191 0.587 0.839 1.000 0.571 CB 1.566 8 residues pruned to eliminate duplicates Z: 28 19.031 2.167 0.672 0.259 0.889 0.370 CB 1.498 28 residues pruned to eliminate duplicates Z: 7 3.006 1.695 0.464 0.315 0.500 0.333 N 1.213 Z: 40 32.902 2.146 0.603 0.611 0.923 0.718 CA 1.494 40 residues pruned to eliminate duplicates Z: 8 6.613 1.773 0.533 0.527 0.857 0.714 CB 1.045 8 residues pruned to eliminate duplicates Z: 7 9.743 1.807 0.419 0.627 0.833 0.500 C 1.651 7 residues pruned to eliminate duplicates Z: 6 7.226 1.960 0.833 0.299 0.800 0.400 CB 1.407 6 residues pruned to eliminate duplicates Z: 25 13.287 2.024 0.493 0.277 0.875 0.500 CB 1.320 25 residues pruned to eliminate duplicates Z: 22 30.411 2.188 0.682 0.901 0.952 0.714 CB 1.351 22 residues pruned to eliminate duplicates Z: 6 3.802 1.745 -0.057 0.577 0.800 0.600 CA 1.200 6 residues pruned to eliminate duplicates Z: 7 4.017 1.671 0.557 0.284 0.667 0.333 CB 1.207 Z: 48 24.665 2.161 0.518 0.379 0.809 0.468 CB 1.543 82 residues pruned to eliminate duplicates Z: 9 8.494 1.814 0.298 0.556 1.000 0.625 CB 1.208 11 residues pruned to eliminate duplicates Z: 14 15.032 1.881 0.674 0.613 0.846 0.538 CB 1.406 14 residues pruned to eliminate duplicates Z: 22 13.389 1.850 0.575 0.431 0.857 0.571 CB 1.257 22 residues pruned to eliminate duplicates Z: 9 2.716 1.332 0.415 0.322 0.750 0.375 CA 0.827 Z: 31 21.064 2.050 0.485 0.449 0.900 0.467 CA 1.479 31 residues pruned to eliminate duplicates Z: 6 6.315 1.633 0.633 0.502 1.000 0.600 N 1.057 Z: 6 4.810 1.828 0.000 0.622 0.800 0.800 O 1.311 6 residues pruned to eliminate duplicates Z: 9 6.724 1.449 0.818 0.520 1.000 0.375 CA 0.885 Z: 27 18.381 1.982 0.599 0.435 0.885 0.654 CA 1.376 27 residues pruned to eliminate duplicates Z: 8 4.306 1.491 0.248 0.420 0.857 0.429 CB 1.109 6 residues pruned to eliminate duplicates Z: 36 21.187 2.062 0.515 0.339 0.886 0.543 CB 1.543 36 residues pruned to eliminate duplicates Z: 12 11.220 1.844 0.620 0.426 0.818 0.636 N 1.494 12 residues pruned to eliminate duplicates 7 0.927 1.332 0.290 0.083 0.500 0.333 CB 0.755 ? Z: 8 2.369 1.537 0.111 0.260 0.714 0.429 CB 0.966 6 residues pruned to eliminate duplicates Z: 15 6.074 1.773 0.221 0.305 0.786 0.214 CB 1.185 15 residues pruned to eliminate duplicates Z: 6 2.159 0.991 0.606 0.680 1.000 0.600 CB 0.514 Z: 21 28.944 2.254 0.492 0.878 0.950 0.750 CB 1.470 Z: 6 2.488 1.520 -0.011 0.351 0.800 0.800 O 1.087 Z: 8 7.749 1.649 0.648 0.478 0.857 0.429 CA 1.286 8 residues pruned to eliminate duplicates Z: 17 17.152 1.899 0.556 0.693 0.875 0.688 CB 1.390 17 residues pruned to eliminate duplicates Z: 12 7.029 1.611 0.623 0.487 0.909 0.455 CB 0.904 8 residues pruned to eliminate duplicates Z: 8 5.165 1.753 0.313 0.418 0.857 0.714 CA 1.079 8 residues pruned to eliminate duplicates Z: 33 24.854 1.993 0.345 0.590 0.906 0.719 CA 1.660 33 residues pruned to eliminate duplicates Z: 7 8.740 1.984 0.632 0.545 1.000 0.667 CB 1.055 7 residues pruned to eliminate duplicates 6 1.684 1.540 -0.177 0.819 1.000 0.800 CB 0.451 ? Z: 57 40.818 2.064 0.779 0.643 0.946 0.589 CB 1.373 55 residues pruned to eliminate duplicates Z: 27 18.797 2.089 0.640 0.256 0.846 0.385 CB 1.681 27 residues pruned to eliminate duplicates Z: 9 11.237 2.039 0.610 0.432 1.000 0.625 CA 1.298 9 residues pruned to eliminate duplicates Z: 50 19.114 1.958 0.422 0.327 0.857 0.571 CB 1.385 50 residues pruned to eliminate duplicates Z: 6 6.719 1.930 0.559 0.477 0.800 0.600 CB 1.277 5 residues pruned to eliminate duplicates Z: 31 43.303 2.145 0.761 0.807 0.967 0.833 CA 1.657 31 residues pruned to eliminate duplicates Z: 11 12.990 1.920 0.651 0.500 0.900 0.900 N 1.439 12 residues pruned to eliminate duplicates Z: 10 2.121 1.329 0.049 0.341 0.778 0.333 CB 0.776 Z: 14 9.475 1.924 0.397 0.301 0.846 0.538 CB 1.443 14 residues pruned to eliminate duplicates Z: 15 22.727 2.175 0.483 0.851 1.000 0.786 CB 1.394 15 residues pruned to eliminate duplicates 6 1.817 1.504 -0.112 0.558 0.800 0.600 CB 0.719 ? Z: 7 2.623 1.406 0.145 0.255 0.833 0.333 CA 1.058 6 residues pruned to eliminate duplicates Z: 38 32.830 2.134 0.535 0.625 0.946 0.622 CB 1.548 38 residues pruned to eliminate duplicates Z: 18 18.499 2.179 0.458 0.576 0.941 0.765 CB 1.395 31 residues pruned to eliminate duplicates Z: 7 5.116 1.694 0.592 0.429 0.833 0.500 CB 1.000 7 residues pruned to eliminate duplicates Z: 11 2.405 1.443 0.512 0.234 0.500 0.500 CB 0.950 Z: 19 10.220 1.700 0.502 0.350 0.889 0.500 CB 1.248 31 residues pruned to eliminate duplicates Z: 6 2.551 1.379 0.119 0.798 1.000 0.800 CB 0.569 6 residues pruned to eliminate duplicates Z: 16 8.763 1.752 0.626 0.416 0.867 0.533 CB 1.001 8 residues pruned to eliminate duplicates Z: 6 3.133 1.336 0.184 0.358 1.000 0.600 CB 1.032 Z: 13 7.114 1.993 0.255 0.392 0.750 0.500 CA 1.228 13 residues pruned to eliminate duplicates Z: 10 5.097 1.574 0.554 0.485 1.000 0.778 CB 0.705 9 residues pruned to eliminate duplicates Z: 11 10.820 1.873 0.618 0.452 0.900 0.700 N 1.318 11 residues pruned to eliminate duplicates Z: 7 2.882 1.747 0.097 0.436 0.833 0.667 CB 0.787 Z: 9 11.631 1.934 0.851 0.543 0.875 0.750 CB 1.259 9 residues pruned to eliminate duplicates Z: 7 2.723 1.267 0.120 0.448 1.000 0.500 CB 0.826 Z: 7 2.304 1.330 0.908 0.237 0.667 0.500 N 0.754 Z: 8 2.498 1.240 0.590 0.395 0.714 0.286 CB 0.749 Z: 30 34.982 2.098 0.520 0.778 1.000 0.724 CA 1.595 30 residues pruned to eliminate duplicates Z: 17 17.361 2.036 0.783 0.450 0.875 0.688 CB 1.439 18 residues pruned to eliminate duplicates Z: 7 4.402 1.380 0.077 0.474 1.000 0.333 CB 1.242 Z: 7 2.369 1.238 0.305 0.403 0.833 0.667 CB 0.795 Z: 9 21.536 2.043 1.030 0.677 1.000 0.750 CB 1.560 Z: 14 7.997 1.971 0.621 0.161 0.769 0.385 CB 1.367 14 residues pruned to eliminate duplicates Z: 7 7.488 1.905 0.241 0.476 1.000 0.833 CB 1.325 7 residues pruned to eliminate duplicates Z: 6 3.228 1.485 -0.019 0.373 1.000 0.400 CB 1.135 5 residues pruned to eliminate duplicates Z: 6 3.008 1.711 -0.289 0.419 1.000 0.400 CB 1.202 Z: 8 2.340 1.280 0.167 0.348 0.857 0.571 CB 0.815 Z: 47 39.512 2.169 0.687 0.625 0.913 0.674 CB 1.550 47 residues pruned to eliminate duplicates Z: 6 6.199 1.614 0.294 0.696 1.000 0.800 CA 1.109 Z: 21 33.313 2.189 0.562 0.947 1.000 0.950 CB 1.506 21 residues pruned to eliminate duplicates Z: 6 4.192 1.497 0.122 0.472 1.000 1.000 CA 1.148 Z: 11 8.895 1.826 0.436 0.393 0.900 0.600 N 1.334 11 residues pruned to eliminate duplicates Z: 40 19.063 1.890 0.761 0.353 0.795 0.487 CA 1.353 40 residues pruned to eliminate duplicates Z: 9 4.196 1.534 -0.043 0.410 1.000 0.875 CA 1.112 Z: 10 3.646 1.499 0.089 0.455 0.889 0.778 CB 0.876 10 residues pruned to eliminate duplicates Z: 15 18.633 1.938 0.938 0.683 0.857 0.643 CB 1.308 15 residues pruned to eliminate duplicates Z: 32 35.555 2.127 0.775 0.688 0.903 0.742 CB 1.576 32 residues pruned to eliminate duplicates Z: 8 3.184 1.388 0.109 0.676 0.714 0.429 CA 0.931 Z: 14 9.579 1.929 0.722 0.309 0.846 0.462 CA 1.169 14 residues pruned to eliminate duplicates Z: 9 3.373 1.652 0.174 0.403 0.750 0.500 CB 0.908 Z: 24 12.095 1.949 0.599 0.266 0.783 0.435 CB 1.350 24 residues pruned to eliminate duplicates Z: 8 9.860 1.777 0.231 0.839 0.857 0.571 CB 1.484 Z: 8 9.435 2.048 0.415 0.523 0.857 0.571 CB 1.403 8 residues pruned to eliminate duplicates Z: 20 9.041 1.829 0.673 0.213 0.684 0.368 CB 1.391 10 residues pruned to eliminate duplicates Z: 6 5.496 1.382 1.088 0.546 0.800 0.800 CA 1.018 Z: 25 35.721 2.253 0.708 0.746 0.917 0.667 CA 1.660 25 residues pruned to eliminate duplicates Z: 14 9.963 1.676 0.214 0.841 1.000 0.769 CB 1.013 14 residues pruned to eliminate duplicates Z: 6 3.120 1.327 1.310 0.452 0.600 0.400 CB 0.797 6 residues pruned to eliminate duplicates Z: 19 13.007 2.067 0.316 0.419 0.778 0.500 CA 1.576 19 residues pruned to eliminate duplicates Z: 6 3.823 1.612 0.391 0.292 0.800 0.600 N 1.203 Z: 6 3.010 1.871 -0.089 0.526 1.000 0.400 CB 0.770 5 residues pruned to eliminate duplicates Z: 17 12.735 1.758 0.518 0.570 1.000 0.875 CB 1.115 18 residues pruned to eliminate duplicates Z: 17 10.199 1.828 0.636 0.326 0.812 0.625 CA 1.271 24 residues pruned to eliminate duplicates Z: 6 3.824 1.629 0.564 0.300 0.600 0.600 CA 1.399 Z: 11 3.480 1.323 0.473 0.214 0.800 0.300 CB 0.988 Z: 6 3.887 1.726 0.453 0.442 0.800 0.600 CB 0.919 5 residues pruned to eliminate duplicates Z: 7 3.540 1.808 0.023 0.613 0.667 0.667 CB 1.053 7 residues pruned to eliminate duplicates Z: 9 3.761 1.452 0.379 0.519 0.875 0.750 CB 0.745 Z: 16 7.894 1.999 0.499 0.365 0.800 0.533 CB 0.983 16 residues pruned to eliminate duplicates Z: 6 3.518 1.373 0.707 0.419 0.800 0.400 CB 0.913 Z: 6 3.379 1.582 0.650 0.445 0.800 0.400 CB 0.766 Z: 9 9.952 1.811 0.244 0.682 1.000 0.625 N 1.321 9 residues pruned to eliminate duplicates Z: 13 10.205 1.844 0.635 0.445 0.917 0.417 CB 1.128 13 residues pruned to eliminate duplicates Z: 13 7.207 1.933 0.337 0.324 0.750 0.417 CB 1.302 13 residues pruned to eliminate duplicates Z: 31 32.631 2.159 0.461 0.695 1.000 0.800 CA 1.581 31 residues pruned to eliminate duplicates Z: 21 26.223 2.053 0.563 0.909 1.000 0.750 CA 1.298 20 residues pruned to eliminate duplicates Z: 16 4.010 1.597 0.353 0.274 0.600 0.400 CB 1.032 11 residues pruned to eliminate duplicates Z: 6 5.110 1.681 0.366 0.639 1.000 1.000 CB 0.874 6 residues pruned to eliminate duplicates Z: 20 20.691 2.035 0.509 0.909 0.947 0.737 CA 1.158 20 residues pruned to eliminate duplicates Z: 8 10.182 2.126 0.450 0.334 1.000 0.571 CB 1.497 8 residues pruned to eliminate duplicates Z: 24 18.491 1.980 0.618 0.463 0.913 0.478 CA 1.370 32 residues pruned to eliminate duplicates Z: 10 9.071 1.781 0.772 0.445 0.778 0.667 CA 1.303 10 residues pruned to eliminate duplicates Z: 14 9.271 1.842 0.117 0.475 0.923 0.615 CB 1.388 14 residues pruned to eliminate duplicates Z: 20 10.622 1.856 0.421 0.434 0.842 0.474 CA 1.175 20 residues pruned to eliminate duplicates Z: 7 2.076 1.380 0.405 0.329 0.833 0.667 CB 0.632 Z: 9 4.607 1.669 0.549 0.413 0.875 0.250 CB 0.789 9 residues pruned to eliminate duplicates Z: 6 2.173 1.398 0.271 0.297 0.800 0.600 CB 0.858 Z: 23 10.530 1.883 0.562 0.251 0.773 0.500 CB 1.316 17 residues pruned to eliminate duplicates Z: 9 9.675 1.867 0.220 0.512 1.000 0.500 N 1.483 9 residues pruned to eliminate duplicates Z: 7 3.211 1.424 -0.046 0.403 1.000 0.333 CB 1.068 6 1.521 0.958 0.138 0.338 1.000 0.800 O 0.745 ? Z: 13 12.410 1.804 0.383 0.615 1.000 0.667 CA 1.289 14 residues pruned to eliminate duplicates Z: 11 5.131 1.598 0.789 0.258 0.700 0.400 CB 1.070 6 residues pruned to eliminate duplicates Z: 6 3.078 1.408 0.642 0.417 0.800 0.400 N 0.811 Z: 6 5.790 1.693 0.482 0.593 1.000 0.600 CB 0.945 Z: 6 6.758 1.739 0.631 0.636 0.800 0.600 C 1.172 Z: 9 5.034 1.434 0.501 0.405 1.000 0.750 N 0.913 9 residues pruned to eliminate duplicates Z: 12 7.439 1.679 0.326 0.875 1.000 0.818 CB 0.733 12 residues pruned to eliminate duplicates Z: 19 11.546 1.989 0.230 0.374 0.833 0.389 CA 1.528 19 residues pruned to eliminate duplicates Z: 9 3.010 1.742 0.652 0.062 0.625 0.125 CB 1.052 9 residues pruned to eliminate duplicates Z: 31 39.962 2.216 0.730 0.736 1.000 0.833 CA 1.540 31 residues pruned to eliminate duplicates 6 1.451 1.157 0.107 0.478 0.800 0.600 CB 0.648 ? Z: 7 2.771 1.427 0.513 0.160 0.833 0.167 CB 0.953 Z: 9 7.884 1.581 0.373 0.634 1.000 0.625 CB 1.132 9 residues pruned to eliminate duplicates Z: 7 5.672 1.716 0.469 0.562 0.833 0.667 CA 1.037 6 residues pruned to eliminate duplicates Z: 8 5.047 1.623 0.200 0.473 0.714 0.571 CB 1.409 12 residues pruned to eliminate duplicates Z: 16 14.229 1.969 0.378 0.441 0.867 0.667 CB 1.659 16 residues pruned to eliminate duplicates Z: 22 11.476 1.866 0.386 0.410 0.714 0.524 CB 1.489 22 residues pruned to eliminate duplicates Z: 13 4.648 1.472 0.646 0.300 0.750 0.417 CB 0.923 Z: 11 10.971 1.537 0.582 0.747 0.900 0.700 CA 1.272 15 residues pruned to eliminate duplicates Z: 7 8.972 1.988 0.545 0.443 1.000 0.667 CA 1.265 7 residues pruned to eliminate duplicates 6 1.818 1.311 0.309 0.360 0.800 0.400 C 0.689 ? Z: 19 27.565 2.092 0.687 0.725 1.000 0.722 CB 1.503 19 residues pruned to eliminate duplicates Z: 33 43.495 2.191 0.897 0.721 1.000 0.594 CA 1.515 33 residues pruned to eliminate duplicates Z: 6 2.487 1.369 0.346 0.451 0.800 0.400 N 0.793 Z: 8 3.596 1.460 0.196 0.500 0.714 0.429 N 1.089 Z: 7 2.209 1.415 0.269 0.150 0.833 0.333 CB 0.927 Z: 16 10.340 1.847 0.586 0.372 0.733 0.533 CA 1.426 16 residues pruned to eliminate duplicates Z: 12 5.158 1.703 0.489 0.307 0.727 0.455 CA 1.045 12 residues pruned to eliminate duplicates Z: 6 3.106 1.477 0.292 0.445 0.800 0.400 O 0.963 Z: 16 8.866 1.794 0.261 0.354 0.800 0.600 N 1.482 16 residues pruned to eliminate duplicates Z: 13 4.543 1.414 0.478 0.210 0.833 0.250 CA 1.060 13 residues pruned to eliminate duplicates Z: 14 9.110 1.880 0.444 0.417 0.923 0.462 CB 1.100 14 residues pruned to eliminate duplicates Z: 42 21.208 1.933 0.656 0.315 0.878 0.537 CB 1.446 42 residues pruned to eliminate duplicates Z: 6 5.632 1.388 0.809 0.570 1.000 0.600 N 0.937 Z: 16 13.958 1.911 0.583 0.479 0.933 0.733 CA 1.304 12 residues pruned to eliminate duplicates Z: 10 13.006 1.891 0.609 0.559 0.889 0.556 O 1.513 10 residues pruned to eliminate duplicates Z: 8 6.411 1.885 0.686 0.238 0.714 0.571 N 1.447 8 residues pruned to eliminate duplicates Z: 8 8.493 2.027 0.301 0.607 0.857 0.571 CB 1.284 8 residues pruned to eliminate duplicates Z: 13 5.663 1.678 0.268 0.425 0.833 0.667 CB 0.997 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 24 15.688 2.024 0.333 0.493 0.826 0.522 CB 1.477 24 residues pruned to eliminate duplicates Z: 14 9.173 2.000 0.440 0.348 0.692 0.385 CB 1.504 14 residues pruned to eliminate duplicates Z: 13 7.734 2.114 0.288 0.299 0.667 0.500 CA 1.539 13 residues pruned to eliminate duplicates Z: 13 7.816 2.015 0.019 0.385 0.833 0.667 CA 1.490 13 residues pruned to eliminate duplicates Z: 11 13.333 2.220 0.408 0.424 0.900 0.700 CA 1.622 11 residues pruned to eliminate duplicates Z: 6 2.601 1.564 0.657 0.196 0.600 0.400 CA 1.074 6 residues pruned to eliminate duplicates Z: 24 13.865 2.028 0.418 0.419 0.826 0.478 CB 1.325 23 residues pruned to eliminate duplicates Z: 6 4.458 1.763 0.518 0.436 0.600 0.400 N 1.326 6 residues pruned to eliminate duplicates Z: 12 7.600 2.061 0.414 0.267 0.727 0.455 CB 1.410 12 residues pruned to eliminate duplicates Z: 21 18.631 2.107 0.536 0.497 0.800 0.350 CA 1.614 21 residues pruned to eliminate duplicates Z: 25 14.709 2.010 0.525 0.396 0.750 0.208 CB 1.458 25 residues pruned to eliminate duplicates Z: 14 9.844 2.057 0.323 0.451 0.692 0.077 CA 1.524 14 residues pruned to eliminate duplicates Z: 24 14.173 1.988 0.393 0.400 0.826 0.348 CB 1.435 24 residues pruned to eliminate duplicates Z: 25 16.577 1.997 0.394 0.439 0.917 0.583 CA 1.413 25 residues pruned to eliminate duplicates Z: 12 16.520 1.983 0.913 0.561 0.909 0.455 CA 1.362 12 residues pruned to eliminate duplicates Z: 15 12.267 1.823 0.824 0.517 0.786 0.143 CB 1.234 15 residues pruned to eliminate duplicates Z: 21 18.863 1.915 0.675 0.574 0.950 0.500 CB 1.289 21 residues pruned to eliminate duplicates Z: 12 11.247 1.849 0.458 0.535 0.909 0.545 CB 1.337 27 residues pruned to eliminate duplicates Z: 6 3.842 1.443 0.542 0.355 1.000 0.800 CB 0.903 6 residues pruned to eliminate duplicates Z: 9 7.676 1.933 0.368 0.591 0.750 0.500 CA 1.255 9 residues pruned to eliminate duplicates Z: 8 11.375 2.046 0.380 0.697 0.857 0.714 CB 1.483 8 residues pruned to eliminate duplicates Z: 17 8.949 1.696 0.644 0.312 0.875 0.312 CB 1.129 15 residues pruned to eliminate duplicates Z: 6 2.547 1.414 0.408 0.371 0.600 0.400 N 1.095 6 residues pruned to eliminate duplicates Z: 8 12.868 1.914 0.716 0.568 1.000 1.000 CB 1.385 8 residues pruned to eliminate duplicates Z: 7 12.659 1.868 0.848 0.637 1.000 0.833 CB 1.316 7 residues pruned to eliminate duplicates Z: 9 11.028 1.796 0.902 0.528 0.875 0.750 CB 1.269 9 residues pruned to eliminate duplicates Z: 8 14.429 1.965 0.866 0.591 1.000 1.000 CB 1.363 8 residues pruned to eliminate duplicates Z: 6 3.631 1.689 0.106 0.324 1.000 0.800 CA 1.055 5 residues pruned to eliminate duplicates Z: 9 13.733 1.637 0.872 0.848 1.000 0.375 CB 1.176 9 residues pruned to eliminate duplicates Z: 8 9.905 1.810 0.510 0.877 0.857 0.429 CB 1.161 8 residues pruned to eliminate duplicates Z: 12 13.278 1.739 0.861 0.679 0.909 0.636 CB 1.154 16 residues pruned to eliminate duplicates Z: 8 9.915 1.763 0.535 0.883 0.857 0.857 CB 1.168 8 residues pruned to eliminate duplicates Z: 12 9.723 1.945 0.290 0.714 0.818 0.636 CB 1.175 12 residues pruned to eliminate duplicates Z: 24 13.610 1.897 0.532 0.534 0.870 0.522 CB 1.086 24 residues pruned to eliminate duplicates Z: 15 6.393 1.826 0.142 0.685 0.929 0.643 CB 0.745 15 residues pruned to eliminate duplicates Z: 15 16.098 1.964 0.673 0.717 1.000 0.643 CB 1.076 15 residues pruned to eliminate duplicates Z: 14 10.685 1.846 0.205 0.742 0.923 0.769 CB 1.162 14 residues pruned to eliminate duplicates Z: 24 15.187 1.871 0.607 0.519 0.870 0.565 CB 1.189 23 residues pruned to eliminate duplicates Z: 8 5.225 1.636 0.776 0.382 0.857 0.571 CB 0.899 8 residues pruned to eliminate duplicates Z: 23 15.116 2.021 0.508 0.292 0.909 0.455 CB 1.468 27 residues pruned to eliminate duplicates Z: 24 9.988 1.996 0.330 0.273 0.739 0.478 CB 1.373 24 residues pruned to eliminate duplicates Z: 24 15.172 2.035 0.469 0.289 0.870 0.522 CB 1.543 24 residues pruned to eliminate duplicates Z: 11 8.306 1.873 0.858 0.174 1.000 0.300 CB 1.120 11 residues pruned to eliminate duplicates Z: 24 13.235 1.980 0.476 0.307 0.826 0.652 CA 1.416 22 residues pruned to eliminate duplicates 6 1.470 1.745 0.251 0.376 0.800 0.400 CA 0.429 ? Z: 6 6.334 1.614 0.570 0.420 1.000 0.800 N 1.215 6 residues pruned to eliminate duplicates Z: 12 16.276 2.143 0.630 0.514 0.909 0.727 CB 1.524 12 residues pruned to eliminate duplicates Z: 20 16.220 1.982 0.743 0.347 0.947 0.632 CB 1.343 20 residues pruned to eliminate duplicates Z: 23 12.971 1.991 0.606 0.287 0.773 0.545 CA 1.422 23 residues pruned to eliminate duplicates Z: 38 15.329 1.885 0.620 0.260 0.838 0.514 CB 1.296 62 residues pruned to eliminate duplicates Z: 13 5.173 1.788 0.310 0.128 0.750 0.167 CA 1.355 Z: 6 6.808 1.668 0.650 0.444 1.000 0.800 CA 1.173 7 residues pruned to eliminate duplicates Z: 6 5.086 1.567 0.536 0.371 1.000 0.600 CA 1.085 6 residues pruned to eliminate duplicates Z: 9 5.802 1.800 0.297 0.307 0.750 0.500 CB 1.451 9 residues pruned to eliminate duplicates Z: 10 6.597 1.630 0.348 0.336 0.889 0.778 CB 1.347 10 residues pruned to eliminate duplicates Z: 9 9.433 1.868 0.627 0.426 0.875 0.625 CB 1.355 8 residues pruned to eliminate duplicates Z: 12 8.742 1.725 0.684 0.416 0.909 0.455 CB 1.089 12 residues pruned to eliminate duplicates Z: 10 14.306 1.891 0.789 0.505 0.889 0.778 CB 1.578 10 residues pruned to eliminate duplicates Z: 10 11.013 1.765 0.812 0.453 0.889 0.556 CA 1.355 10 residues pruned to eliminate duplicates Z: 8 12.255 2.046 0.865 0.547 1.000 0.714 CA 1.160 9 residues pruned to eliminate duplicates Z: 9 16.292 1.893 1.002 0.550 1.000 0.500 CA 1.447 9 residues pruned to eliminate duplicates Z: 21 14.486 1.899 0.509 0.501 0.850 0.500 CB 1.329 21 residues pruned to eliminate duplicates Z: 10 5.933 1.791 0.363 0.453 0.778 0.444 CB 1.093 9 residues pruned to eliminate duplicates Z: 7 4.416 1.585 0.263 0.397 0.833 0.500 CB 1.205 8 residues pruned to eliminate duplicates Z: 6 3.491 1.779 0.276 0.396 0.600 0.000 N 1.279 6 residues pruned to eliminate duplicates Z: 6 3.964 1.942 0.413 0.247 0.600 0.200 N 1.440 6 residues pruned to eliminate duplicates Z: 12 7.918 1.831 0.424 0.359 0.909 0.182 CB 1.173 13 residues pruned to eliminate duplicates Z: 6 4.673 1.542 0.857 0.396 1.000 0.200 CB 0.814 6 residues pruned to eliminate duplicates Z: 11 6.005 1.333 0.303 0.554 0.900 0.500 CB 1.152 10 residues pruned to eliminate duplicates Z: 8 6.800 1.689 0.299 0.381 1.000 0.571 N 1.330 9 residues pruned to eliminate duplicates Z: 9 17.545 2.150 0.778 0.878 1.000 0.875 CB 1.177 9 residues pruned to eliminate duplicates Z: 13 16.301 2.010 0.770 0.635 0.833 0.667 CA 1.399 20 residues pruned to eliminate duplicates Z: 11 18.099 2.077 0.987 0.710 0.800 0.500 CB 1.433 12 residues pruned to eliminate duplicates Z: 11 15.916 2.096 0.444 0.842 1.000 0.800 CB 1.239 12 residues pruned to eliminate duplicates Z: 12 19.422 2.028 0.568 0.888 1.000 0.455 CB 1.327 12 residues pruned to eliminate duplicates Z: 21 10.541 1.737 0.728 0.421 0.800 0.350 CB 1.066 18 residues pruned to eliminate duplicates Z: 12 22.603 2.012 0.824 0.918 1.000 0.909 CB 1.309 15 residues pruned to eliminate duplicates Z: 13 16.151 1.839 0.510 0.856 1.000 0.667 CA 1.238 13 residues pruned to eliminate duplicates Z: 10 7.181 1.922 0.351 0.285 1.000 0.222 CB 1.175 10 residues pruned to eliminate duplicates Z: 11 4.925 1.943 0.150 0.222 0.900 0.200 CB 1.072 11 residues pruned to eliminate duplicates Z: 11 4.789 1.738 0.388 0.276 0.800 0.400 CB 1.011 10 residues pruned to eliminate duplicates Z: 6 8.684 1.849 0.597 0.391 1.000 0.600 CA 1.477 6 residues pruned to eliminate duplicates Z: 12 14.346 1.986 0.455 0.511 0.909 0.636 CA 1.628 13 residues pruned to eliminate duplicates Z: 6 3.942 1.405 0.357 0.331 1.000 0.600 CB 1.112 6 residues pruned to eliminate duplicates Z: 6 6.471 1.776 0.678 0.413 1.000 0.400 CA 1.064 6 residues pruned to eliminate duplicates Z: 10 21.969 2.139 0.766 0.696 1.000 0.778 CA 1.621 13 residues pruned to eliminate duplicates Z: 7 5.694 1.676 0.677 0.399 0.833 0.500 C 1.104 7 residues pruned to eliminate duplicates Z: 11 16.679 2.029 0.792 0.606 1.000 0.700 CA 1.311 11 residues pruned to eliminate duplicates Z: 9 25.602 2.215 1.001 0.761 1.000 0.875 CB 1.620 9 residues pruned to eliminate duplicates Z: 11 15.140 2.085 0.811 0.651 0.800 0.700 CB 1.377 11 residues pruned to eliminate duplicates Z: 12 13.504 1.893 0.801 0.579 0.818 0.636 CB 1.352 12 residues pruned to eliminate duplicates Z: 16 15.740 1.968 0.538 0.414 0.867 0.400 CA 1.695 16 residues pruned to eliminate duplicates Z: 31 15.016 1.876 0.472 0.333 0.833 0.400 CB 1.430 29 residues pruned to eliminate duplicates Z: 6 4.409 1.863 0.267 0.430 0.800 0.600 CA 1.123 Z: 6 4.036 1.433 0.771 0.274 1.000 0.400 CA 0.920 6 residues pruned to eliminate duplicates Z: 12 20.479 2.198 0.678 0.643 1.000 0.909 CB 1.465 16 residues pruned to eliminate duplicates Z: 6 5.830 1.836 0.472 0.417 1.000 0.600 CA 1.051 6 residues pruned to eliminate duplicates Z: 13 18.724 2.074 0.786 0.650 1.000 0.750 CB 1.268 13 residues pruned to eliminate duplicates Z: 6 6.668 1.742 0.629 0.436 0.800 0.800 CA 1.403 6 residues pruned to eliminate duplicates Z: 12 21.236 2.197 0.728 0.662 1.000 0.727 CB 1.452 12 residues pruned to eliminate duplicates Z: 9 5.875 1.584 0.382 0.363 0.875 0.375 N 1.256 8 residues pruned to eliminate duplicates Z: 6 4.315 1.614 0.198 0.589 0.800 0.200 CB 1.145 6 residues pruned to eliminate duplicates Z: 10 9.691 1.880 0.446 0.413 0.889 0.556 CB 1.464 10 residues pruned to eliminate duplicates Z: 6 3.907 1.810 0.273 0.391 0.800 0.200 N 1.064 6 residues pruned to eliminate duplicates Z: 25 26.281 2.232 0.571 0.459 1.000 0.500 CA 1.597 25 residues pruned to eliminate duplicates Z: 34 19.689 2.074 0.436 0.421 0.909 0.485 CB 1.376 34 residues pruned to eliminate duplicates Z: 14 8.152 1.712 0.518 0.509 0.923 0.462 CB 0.934 20 residues pruned to eliminate duplicates Z: 8 6.529 1.706 0.192 0.476 1.000 0.571 CA 1.243 8 residues pruned to eliminate duplicates Z: 21 17.009 2.227 0.325 0.458 0.900 0.550 CB 1.496 21 residues pruned to eliminate duplicates Z: 29 19.257 2.190 0.601 0.417 0.786 0.464 CB 1.441 29 residues pruned to eliminate duplicates Z: 25 23.864 2.218 0.678 0.416 0.917 0.625 CA 1.559 25 residues pruned to eliminate duplicates Z: 26 24.828 2.238 0.676 0.398 0.920 0.560 CB 1.603 26 residues pruned to eliminate duplicates Z: 28 19.314 2.193 0.491 0.364 0.815 0.519 CB 1.614 28 residues pruned to eliminate duplicates Z: 27 22.488 2.179 0.589 0.436 0.923 0.692 CB 1.474 27 residues pruned to eliminate duplicates Z: 18 16.564 2.236 0.391 0.486 0.824 0.471 CB 1.591 18 residues pruned to eliminate duplicates Z: 20 16.488 2.172 0.437 0.421 0.842 0.526 CB 1.561 20 residues pruned to eliminate duplicates Z: 30 22.141 2.149 0.562 0.387 0.897 0.448 CB 1.540 30 residues pruned to eliminate duplicates Z: 18 19.547 2.197 0.549 0.528 0.824 0.529 CB 1.646 18 residues pruned to eliminate duplicates Z: 23 16.293 2.063 0.495 0.389 0.864 0.455 CB 1.467 23 residues pruned to eliminate duplicates Z: 28 18.953 2.102 0.585 0.300 0.926 0.407 CB 1.479 28 residues pruned to eliminate duplicates Z: 20 19.843 2.189 0.519 0.472 0.895 0.579 CA 1.573 20 residues pruned to eliminate duplicates Z: 11 9.091 2.048 0.264 0.476 0.800 0.600 CB 1.423 11 residues pruned to eliminate duplicates Z: 51 28.602 2.147 0.600 0.338 0.920 0.540 CB 1.528 51 residues pruned to eliminate duplicates Z: 15 8.800 1.831 0.303 0.292 0.786 0.357 N 1.585 15 residues pruned to eliminate duplicates Z: 56 29.006 2.113 0.557 0.335 0.909 0.491 CB 1.567 56 residues pruned to eliminate duplicates Z: 55 27.394 2.138 0.462 0.365 0.907 0.500 CB 1.521 55 residues pruned to eliminate duplicates Z: 59 24.834 2.046 0.551 0.357 0.914 0.466 CB 1.311 59 residues pruned to eliminate duplicates Z: 29 21.284 2.109 0.567 0.425 0.893 0.500 CA 1.475 29 residues pruned to eliminate duplicates Z: 31 18.686 2.027 0.522 0.374 0.833 0.467 CB 1.519 31 residues pruned to eliminate duplicates Z: 33 18.499 1.982 0.529 0.392 0.906 0.531 CB 1.335 33 residues pruned to eliminate duplicates Z: 56 29.587 2.131 0.638 0.324 0.891 0.455 CB 1.558 56 residues pruned to eliminate duplicates Z: 32 20.151 2.033 0.542 0.384 0.903 0.452 CA 1.446 32 residues pruned to eliminate duplicates Z: 60 28.349 2.075 0.532 0.349 0.915 0.475 CB 1.495 60 residues pruned to eliminate duplicates Z: 63 30.033 2.068 0.597 0.332 0.952 0.468 CB 1.458 63 residues pruned to eliminate duplicates Z: 30 21.351 2.092 0.587 0.427 0.828 0.552 CA 1.558 30 residues pruned to eliminate duplicates Z: 48 24.728 2.108 0.474 0.350 0.936 0.468 CB 1.459 48 residues pruned to eliminate duplicates Z: 57 28.249 2.102 0.527 0.319 0.893 0.482 CA 1.609 57 residues pruned to eliminate duplicates Z: 57 29.412 2.115 0.555 0.344 0.893 0.446 CB 1.586 57 residues pruned to eliminate duplicates Z: 39 20.796 2.042 0.498 0.317 0.947 0.500 CB 1.426 39 residues pruned to eliminate duplicates Z: 19 10.906 2.066 0.181 0.309 0.833 0.667 CB 1.564 19 residues pruned to eliminate duplicates Z: 20 11.084 1.938 0.362 0.344 0.737 0.474 CA 1.550 20 residues pruned to eliminate duplicates Z: 17 14.003 2.148 0.340 0.426 0.875 0.500 CA 1.502 17 residues pruned to eliminate duplicates Z: 35 14.190 1.981 0.338 0.313 0.794 0.588 CA 1.422 35 residues pruned to eliminate duplicates Z: 19 16.016 2.077 0.407 0.474 0.944 0.444 CA 1.404 19 residues pruned to eliminate duplicates Z: 35 16.383 1.982 0.526 0.303 0.853 0.559 CA 1.356 35 residues pruned to eliminate duplicates Z: 16 15.028 2.061 0.329 0.498 0.867 0.867 CB 1.638 16 residues pruned to eliminate duplicates Z: 17 16.276 2.156 0.334 0.444 0.938 0.500 CA 1.598 17 residues pruned to eliminate duplicates Z: 13 14.429 2.165 0.464 0.446 0.833 0.417 CA 1.668 13 residues pruned to eliminate duplicates Z: 45 22.960 2.083 0.505 0.341 0.864 0.500 CB 1.520 45 residues pruned to eliminate duplicates Z: 14 12.013 2.182 0.391 0.415 0.769 0.462 CA 1.559 14 residues pruned to eliminate duplicates Z: 18 11.559 2.052 0.288 0.368 0.824 0.529 CB 1.485 18 residues pruned to eliminate duplicates Z: 65 27.629 2.132 0.490 0.345 0.859 0.484 CB 1.497 65 residues pruned to eliminate duplicates Z: 39 16.089 2.008 0.428 0.303 0.789 0.447 CB 1.437 39 residues pruned to eliminate duplicates Z: 24 13.098 2.067 0.247 0.310 0.826 0.435 CA 1.582 24 residues pruned to eliminate duplicates Z: 36 20.313 2.116 0.479 0.383 0.829 0.571 CA 1.499 36 residues pruned to eliminate duplicates Z: 13 9.376 2.047 0.331 0.364 0.750 0.333 CB 1.534 13 residues pruned to eliminate duplicates Z: 34 29.054 2.183 0.578 0.536 0.879 0.576 CA 1.612 34 residues pruned to eliminate duplicates Z: 95 42.439 2.161 0.571 0.465 0.862 0.617 CA 1.550 95 residues pruned to eliminate duplicates Z: 14 13.367 2.084 0.461 0.522 0.846 0.692 CA 1.408 14 residues pruned to eliminate duplicates Z: 41 33.345 2.200 0.563 0.607 0.875 0.650 CA 1.584 41 residues pruned to eliminate duplicates Z: 42 34.478 2.165 0.592 0.599 0.927 0.634 CA 1.533 42 residues pruned to eliminate duplicates Z: 40 34.327 2.208 0.579 0.611 0.897 0.564 CA 1.581 40 residues pruned to eliminate duplicates Z: 87 37.690 2.138 0.479 0.443 0.872 0.616 CA 1.563 87 residues pruned to eliminate duplicates Z: 39 32.850 2.211 0.451 0.615 0.921 0.711 CA 1.618 39 residues pruned to eliminate duplicates Z: 31 36.771 2.249 0.613 0.680 1.000 0.700 CA 1.568 31 residues pruned to eliminate duplicates Z: 41 33.252 2.150 0.452 0.584 0.950 0.600 CA 1.636 41 residues pruned to eliminate duplicates Z: 32 33.225 2.224 0.530 0.671 0.968 0.774 CA 1.548 32 residues pruned to eliminate duplicates Z: 29 40.153 2.277 0.667 0.716 1.000 0.786 CB 1.644 29 residues pruned to eliminate duplicates Z: 55 39.806 2.214 0.533 0.561 0.926 0.630 CA 1.625 55 residues pruned to eliminate duplicates Z: 34 36.765 2.221 0.581 0.636 1.000 0.758 CA 1.604 34 residues pruned to eliminate duplicates Z: 35 38.250 2.212 0.643 0.632 1.000 0.618 CA 1.595 35 residues pruned to eliminate duplicates Z: 40 32.749 2.157 0.671 0.598 0.872 0.641 CA 1.520 40 residues pruned to eliminate duplicates Z: 30 38.305 2.227 0.787 0.728 0.931 0.759 CB 1.564 30 residues pruned to eliminate duplicates Z: 42 34.273 2.187 0.524 0.597 0.927 0.585 CA 1.579 42 residues pruned to eliminate duplicates Z: 39 35.881 2.226 0.562 0.639 0.921 0.711 CA 1.595 39 residues pruned to eliminate duplicates Z: 33 34.697 2.271 0.610 0.631 0.906 0.469 CA 1.637 33 residues pruned to eliminate duplicates Z: 30 34.723 2.264 0.644 0.700 0.931 0.586 CA 1.551 30 residues pruned to eliminate duplicates Z: 33 42.168 2.258 0.726 0.665 1.000 0.625 CA 1.642 33 residues pruned to eliminate duplicates Z: 32 41.229 2.242 0.779 0.686 0.935 0.710 CA 1.674 32 residues pruned to eliminate duplicates Z: 54 38.122 2.180 0.596 0.540 0.906 0.566 CB 1.598 54 residues pruned to eliminate duplicates Z: 21 39.200 2.307 0.924 0.840 0.950 0.500 CB 1.551 21 residues pruned to eliminate duplicates Z: 30 45.968 2.286 0.954 0.752 0.931 0.517 CA 1.639 30 residues pruned to eliminate duplicates Z: 31 40.531 2.216 0.763 0.659 1.000 0.433 CB 1.634 31 residues pruned to eliminate duplicates Z: 44 36.188 2.113 0.715 0.580 0.907 0.465 CB 1.555 44 residues pruned to eliminate duplicates Z: 30 42.821 2.267 0.903 0.742 0.931 0.621 CB 1.594 30 residues pruned to eliminate duplicates Z: 41 34.767 2.130 0.754 0.579 0.875 0.500 CA 1.559 41 residues pruned to eliminate duplicates Z: 38 36.429 2.235 0.733 0.629 0.865 0.432 CA 1.584 38 residues pruned to eliminate duplicates Z: 30 49.483 2.287 1.008 0.738 1.000 0.483 CB 1.616 30 residues pruned to eliminate duplicates Z: 30 41.207 2.230 0.885 0.714 0.966 0.379 CB 1.554 30 residues pruned to eliminate duplicates Z: 29 49.112 2.283 1.009 0.752 1.000 0.607 CB 1.616 29 residues pruned to eliminate duplicates Z: 31 46.375 2.283 0.846 0.716 1.000 0.600 CA 1.652 31 residues pruned to eliminate duplicates Z: 29 48.184 2.295 0.955 0.753 1.000 0.536 CB 1.619 29 residues pruned to eliminate duplicates Z: 7 6.555 1.865 0.595 0.659 0.667 0.667 N 1.165 Z: 6 3.055 1.606 0.708 0.373 0.600 0.400 CA 0.951 6 residues pruned to eliminate duplicates Z: 12 8.782 1.830 0.722 0.377 0.818 0.455 CB 1.172 25 residues pruned to eliminate duplicates Z: 6 6.514 1.747 0.981 0.307 1.000 0.800 CA 1.043 6 residues pruned to eliminate duplicates Z: 6 6.020 2.299 0.551 0.392 0.600 0.600 CB 1.412 6 residues pruned to eliminate duplicates Z: 11 8.245 1.953 0.442 0.242 0.800 0.300 CB 1.559 9 residues pruned to eliminate duplicates Z: 6 7.473 1.810 0.422 0.455 1.000 0.600 CB 1.360 6 residues pruned to eliminate duplicates Z: 19 15.557 2.052 0.464 0.487 0.944 0.667 CB 1.310 19 residues pruned to eliminate duplicates Z: 17 11.459 2.080 0.374 0.410 0.875 0.625 CB 1.258 17 residues pruned to eliminate duplicates Z: 18 12.713 2.028 0.527 0.373 0.882 0.647 CB 1.292 18 residues pruned to eliminate duplicates Z: 44 33.681 2.135 0.582 0.599 0.930 0.698 CB 1.488 44 residues pruned to eliminate duplicates Z: 10 14.016 2.177 0.542 0.618 0.889 0.778 CB 1.400 10 residues pruned to eliminate duplicates Z: 43 31.353 2.135 0.534 0.552 0.929 0.714 CB 1.511 43 residues pruned to eliminate duplicates Z: 17 13.166 2.074 0.267 0.490 0.938 0.562 CB 1.349 17 residues pruned to eliminate duplicates Z: 47 36.822 2.159 0.566 0.626 0.891 0.696 CB 1.599 47 residues pruned to eliminate duplicates Z: 18 13.270 2.041 0.474 0.444 0.824 0.529 CB 1.376 18 residues pruned to eliminate duplicates Z: 43 32.042 2.147 0.615 0.545 0.929 0.500 CB 1.470 43 residues pruned to eliminate duplicates Z: 47 40.182 2.148 0.606 0.639 0.957 0.696 CB 1.577 47 residues pruned to eliminate duplicates Z: 48 38.121 2.133 0.610 0.604 0.936 0.681 CB 1.566 48 residues pruned to eliminate duplicates Z: 47 41.934 2.166 0.655 0.629 0.957 0.739 CA 1.597 47 residues pruned to eliminate duplicates Z: 6 4.624 1.579 0.359 0.486 1.000 0.600 CA 0.977 6 residues pruned to eliminate duplicates Z: 34 33.166 2.148 0.471 0.694 0.939 0.697 CA 1.629 34 residues pruned to eliminate duplicates Z: 43 30.176 2.153 0.424 0.628 0.929 0.714 CB 1.451 42 residues pruned to eliminate duplicates Z: 6 6.497 1.720 0.507 0.345 1.000 0.800 CA 1.327 6 residues pruned to eliminate duplicates Z: 29 44.077 2.219 0.719 0.799 1.000 0.643 CB 1.682 29 residues pruned to eliminate duplicates Z: 33 40.983 2.183 0.690 0.696 0.969 0.719 CA 1.695 33 residues pruned to eliminate duplicates Z: 47 38.833 2.159 0.643 0.605 0.913 0.630 CA 1.600 47 residues pruned to eliminate duplicates Z: 31 35.343 2.146 0.556 0.748 0.967 0.767 CA 1.603 31 residues pruned to eliminate duplicates Z: 30 45.376 2.206 0.747 0.792 1.000 0.655 CA 1.693 30 residues pruned to eliminate duplicates Z: 48 43.280 2.169 0.795 0.604 0.915 0.574 CB 1.605 49 residues pruned to eliminate duplicates Z: 23 39.739 2.102 0.829 0.914 0.955 0.682 CB 1.633 22 residues pruned to eliminate duplicates Z: 21 36.734 2.151 0.846 0.928 0.900 0.600 CB 1.611 21 residues pruned to eliminate duplicates Z: 26 41.368 2.269 0.906 0.731 0.960 0.680 CB 1.619 26 residues pruned to eliminate duplicates Z: 48 42.351 2.129 0.828 0.620 0.894 0.553 CB 1.586 48 residues pruned to eliminate duplicates Z: 30 40.619 2.173 0.777 0.759 0.966 0.621 CA 1.606 30 residues pruned to eliminate duplicates Z: 42 41.169 2.150 0.793 0.652 0.878 0.537 CB 1.648 42 residues pruned to eliminate duplicates Z: 33 39.468 2.131 0.780 0.712 0.906 0.562 CB 1.675 33 residues pruned to eliminate duplicates Z: 30 30.172 2.139 0.725 0.581 0.862 0.517 CB 1.630 30 residues pruned to eliminate duplicates Z: 34 44.442 2.133 0.897 0.709 0.970 0.545 CB 1.630 34 residues pruned to eliminate duplicates Z: 45 36.659 2.144 0.690 0.589 0.886 0.568 CB 1.579 45 residues pruned to eliminate duplicates Z: 31 34.863 2.119 0.927 0.607 0.900 0.433 CB 1.565 31 residues pruned to eliminate duplicates Z: 42 38.463 2.116 0.802 0.633 0.902 0.463 CB 1.540 42 residues pruned to eliminate duplicates Z: 31 40.805 2.184 0.799 0.747 0.900 0.500 CB 1.689 31 residues pruned to eliminate duplicates Z: 48 40.584 2.127 0.772 0.617 0.915 0.511 CB 1.537 49 residues pruned to eliminate duplicates Z: 22 46.874 2.163 1.016 0.943 1.000 0.429 CB 1.627 22 residues pruned to eliminate duplicates Z: 21 41.186 2.195 0.860 0.931 0.950 0.250 CB 1.659 21 residues pruned to eliminate duplicates Z: 6 3.328 1.511 0.166 0.353 1.000 0.400 CB 0.990 Z: 7 4.638 1.735 0.247 0.411 0.833 0.333 CB 1.153 6 residues pruned to eliminate duplicates Z: 8 4.107 1.919 0.005 0.274 0.714 0.143 O 1.456 6 residues pruned to eliminate duplicates Z: 7 4.510 1.906 -0.111 0.344 0.833 0.500 CB 1.545 7 residues pruned to eliminate duplicates Z: 10 6.320 1.890 0.300 0.474 0.778 0.444 CA 1.132 10 residues pruned to eliminate duplicates Z: 13 11.149 1.893 0.266 0.464 0.917 0.583 CB 1.520 13 residues pruned to eliminate duplicates Z: 14 8.069 1.812 0.353 0.410 0.769 0.462 CA 1.304 14 residues pruned to eliminate duplicates Z: 13 13.134 1.900 0.396 0.442 1.000 0.500 CA 1.516 13 residues pruned to eliminate duplicates Z: 10 8.457 1.870 0.143 0.376 1.000 0.889 N 1.505 10 residues pruned to eliminate duplicates Z: 14 5.754 1.791 0.168 0.334 0.769 0.538 CA 1.189 14 residues pruned to eliminate duplicates Z: 13 12.935 1.932 0.225 0.485 1.000 0.667 CB 1.602 13 residues pruned to eliminate duplicates Z: 10 10.473 1.984 0.105 0.459 1.000 0.667 CA 1.660 10 residues pruned to eliminate duplicates Z: 11 11.559 1.936 0.295 0.506 0.900 0.600 CA 1.610 11 residues pruned to eliminate duplicates Z: 11 10.332 2.016 0.431 0.516 0.900 0.700 CA 1.239 11 residues pruned to eliminate duplicates Z: 31 22.180 2.024 0.424 0.698 0.967 0.767 CA 1.213 31 residues pruned to eliminate duplicates Z: 14 9.089 1.985 0.344 0.436 1.000 0.692 CA 1.010 14 residues pruned to eliminate duplicates Z: 17 12.611 2.034 0.279 0.430 0.938 0.688 CB 1.391 17 residues pruned to eliminate duplicates Z: 27 25.567 2.147 0.582 0.682 0.962 0.808 CA 1.299 27 residues pruned to eliminate duplicates Z: 17 8.590 1.918 0.355 0.358 0.938 0.625 CA 1.027 17 residues pruned to eliminate duplicates Z: 33 25.598 2.040 0.539 0.684 0.969 0.719 CA 1.257 33 residues pruned to eliminate duplicates Z: 37 19.429 1.883 0.494 0.612 0.889 0.694 CA 1.165 37 residues pruned to eliminate duplicates Z: 32 24.680 2.036 0.561 0.714 0.935 0.645 CA 1.228 32 residues pruned to eliminate duplicates Z: 32 27.472 2.021 0.577 0.715 0.968 0.645 CA 1.316 32 residues pruned to eliminate duplicates Z: 31 22.871 2.026 0.520 0.672 0.933 0.600 CA 1.240 31 residues pruned to eliminate duplicates Z: 21 23.873 2.044 0.719 0.779 0.950 0.750 CA 1.250 21 residues pruned to eliminate duplicates Z: 34 22.463 1.964 0.532 0.576 0.970 0.606 CA 1.245 34 residues pruned to eliminate duplicates Z: 34 23.191 1.955 0.602 0.662 0.909 0.667 CA 1.220 34 residues pruned to eliminate duplicates Z: 30 24.287 2.093 0.609 0.650 0.931 0.655 CA 1.251 30 residues pruned to eliminate duplicates Z: 34 24.620 2.014 0.568 0.683 0.909 0.606 CA 1.262 33 residues pruned to eliminate duplicates Z: 20 27.485 2.053 0.724 0.922 1.000 0.579 CA 1.252 20 residues pruned to eliminate duplicates Z: 23 22.485 1.991 0.768 0.807 0.818 0.591 CA 1.274 23 residues pruned to eliminate duplicates Z: 35 27.648 1.977 0.740 0.630 0.941 0.559 CA 1.297 37 residues pruned to eliminate duplicates Z: 20 31.015 2.033 0.870 0.908 1.000 0.684 CA 1.329 20 residues pruned to eliminate duplicates Z: 31 29.138 2.078 0.787 0.715 0.867 0.600 CA 1.361 31 residues pruned to eliminate duplicates Z: 17 23.470 2.151 0.731 0.890 0.875 0.688 CA 1.295 17 residues pruned to eliminate duplicates Z: 13 21.103 2.097 0.915 0.889 0.917 0.667 CA 1.191 13 residues pruned to eliminate duplicates Z: 14 25.942 2.078 1.295 0.918 1.000 0.538 CA 1.064 14 residues pruned to eliminate duplicates Z: 32 26.798 2.034 0.797 0.635 0.839 0.548 CA 1.382 32 residues pruned to eliminate duplicates Z: 30 29.376 2.083 0.776 0.674 0.931 0.621 CA 1.349 30 residues pruned to eliminate duplicates Z: 30 25.875 2.061 0.710 0.685 0.931 0.690 CA 1.236 30 residues pruned to eliminate duplicates Z: 20 26.528 2.010 1.077 0.852 0.947 0.526 CA 1.138 20 residues pruned to eliminate duplicates Z: 35 23.679 1.991 0.641 0.624 0.853 0.412 CA 1.297 35 residues pruned to eliminate duplicates Z: 32 28.648 2.057 0.919 0.681 0.839 0.516 CA 1.316 32 residues pruned to eliminate duplicates Z: 31 35.475 2.171 0.703 0.675 0.933 0.633 CB 1.597 32 residues pruned to eliminate duplicates Z: 6 7.660 1.689 0.648 0.445 1.000 0.800 N 1.302 6 residues pruned to eliminate duplicates Z: 6 4.143 1.737 0.395 0.307 0.800 0.400 CA 1.185 6 residues pruned to eliminate duplicates Z: 28 36.021 2.264 0.508 0.720 1.000 0.741 CB 1.663 28 residues pruned to eliminate duplicates Z: 29 23.121 2.103 0.297 0.551 0.929 0.714 CA 1.642 29 residues pruned to eliminate duplicates Z: 31 29.516 2.153 0.502 0.645 1.000 0.733 CB 1.455 31 residues pruned to eliminate duplicates Z: 34 29.362 2.186 0.563 0.626 0.879 0.576 CB 1.511 34 residues pruned to eliminate duplicates Z: 30 35.336 2.236 0.658 0.697 0.897 0.655 CA 1.649 30 residues pruned to eliminate duplicates Z: 12 28.962 2.466 0.478 0.868 1.000 0.545 CB 1.752 12 residues pruned to eliminate duplicates Z: 49 29.589 2.184 0.535 0.487 0.896 0.479 CB 1.440 49 residues pruned to eliminate duplicates Z: 21 30.247 2.255 0.659 0.639 0.900 0.500 CA 1.763 21 residues pruned to eliminate duplicates Z: 26 27.526 2.205 0.583 0.670 0.920 0.560 CB 1.465 26 residues pruned to eliminate duplicates Z: 29 37.028 2.279 0.531 0.697 1.000 0.536 CB 1.674 29 residues pruned to eliminate duplicates Z: 15 28.074 2.385 0.624 0.919 1.000 0.571 CB 1.366 15 residues pruned to eliminate duplicates Z: 35 28.490 2.075 0.620 0.598 0.912 0.618 CB 1.452 35 residues pruned to eliminate duplicates Z: 32 28.539 2.164 0.612 0.604 0.903 0.516 CB 1.473 32 residues pruned to eliminate duplicates Z: 31 33.939 2.167 0.664 0.701 0.967 0.567 CB 1.480 31 residues pruned to eliminate duplicates Z: 17 32.824 2.400 0.741 0.913 0.938 0.625 CB 1.483 17 residues pruned to eliminate duplicates Z: 30 32.385 2.223 0.532 0.673 0.931 0.448 CB 1.616 30 residues pruned to eliminate duplicates Z: 31 32.739 2.176 0.546 0.642 0.967 0.500 CB 1.609 31 residues pruned to eliminate duplicates Z: 34 29.992 2.135 0.648 0.585 0.909 0.576 CB 1.504 34 residues pruned to eliminate duplicates Z: 20 34.258 2.280 0.746 0.892 0.947 0.684 CB 1.496 20 residues pruned to eliminate duplicates Z: 30 36.110 2.208 0.771 0.650 0.931 0.483 CB 1.600 30 residues pruned to eliminate duplicates Z: 30 34.716 2.239 0.591 0.686 0.966 0.552 CB 1.581 30 residues pruned to eliminate duplicates Z: 29 39.813 2.254 0.771 0.709 0.964 0.464 CB 1.617 30 residues pruned to eliminate duplicates Z: 6 5.751 1.739 0.539 0.494 0.800 0.800 O 1.208 6 residues pruned to eliminate duplicates Z: 7 4.584 1.574 0.324 0.461 1.000 0.833 CA 0.934 7 residues pruned to eliminate duplicates Z: 12 9.725 1.872 0.439 0.395 0.818 0.636 N 1.485 12 residues pruned to eliminate duplicates Z: 15 10.393 1.746 0.541 0.406 0.857 0.643 CB 1.329 15 residues pruned to eliminate duplicates Z: 11 8.977 1.863 0.500 0.338 0.900 0.400 CB 1.346 11 residues pruned to eliminate duplicates Z: 16 10.415 1.717 0.563 0.376 0.867 0.533 CB 1.320 16 residues pruned to eliminate duplicates Z: 7 14.509 2.088 0.457 0.675 1.000 0.667 CB 1.657 7 residues pruned to eliminate duplicates Z: 15 11.549 1.922 0.487 0.368 0.857 0.429 CB 1.452 15 residues pruned to eliminate duplicates Z: 8 14.289 2.081 0.351 0.574 1.000 0.571 CB 1.789 8 residues pruned to eliminate duplicates Z: 13 8.753 1.967 0.469 0.365 0.833 0.417 CB 1.213 13 residues pruned to eliminate duplicates Z: 9 10.010 2.023 0.796 0.503 0.875 0.500 CB 1.110 9 residues pruned to eliminate duplicates Z: 7 7.973 2.017 0.213 0.422 0.833 0.667 CB 1.731 6 residues pruned to eliminate duplicates Z: 8 4.269 1.316 0.881 0.487 0.714 0.571 CB 0.925 Z: 7 3.192 1.796 0.188 0.171 0.667 0.500 CA 1.365 7 residues pruned to eliminate duplicates Z: 7 3.723 1.865 0.407 0.109 0.833 0.167 CB 1.140 7 residues pruned to eliminate duplicates Z: 11 3.845 1.873 0.294 0.151 0.700 0.400 CB 1.101 13 residues pruned to eliminate duplicates Z: 6 6.401 1.509 0.848 0.437 0.800 0.400 O 1.369 6 residues pruned to eliminate duplicates Z: 20 14.506 1.997 0.756 0.427 0.842 0.737 CB 1.216 20 residues pruned to eliminate duplicates Z: 12 12.963 2.110 0.833 0.412 0.727 0.545 CB 1.524 12 residues pruned to eliminate duplicates Z: 21 14.716 1.963 0.564 0.400 0.850 0.550 CB 1.400 21 residues pruned to eliminate duplicates Z: 21 13.092 1.957 0.574 0.312 0.850 0.550 CB 1.377 22 residues pruned to eliminate duplicates Z: 6 5.759 1.729 0.415 0.447 0.800 0.600 C 1.389 6 residues pruned to eliminate duplicates Z: 11 9.462 1.665 0.623 0.398 0.900 0.600 CB 1.369 8 residues pruned to eliminate duplicates Z: 11 4.507 1.595 0.367 0.226 0.900 0.500 CB 1.000 11 residues pruned to eliminate duplicates Z: 9 3.643 1.643 0.322 0.263 1.000 0.500 CB 0.777 9 residues pruned to eliminate duplicates Z: 7 3.331 1.686 0.310 0.377 0.833 0.500 CB 0.843 7 residues pruned to eliminate duplicates Z: 8 4.779 1.677 0.583 0.455 0.714 0.429 CB 0.997 8 residues pruned to eliminate duplicates 524 residues left after pruning, divided into chains as follows: A: 13 B: 9 C: 9 D: 7 E: 6 F: 13 G: 24 H: 9 I: 12 J: 6 K: 9 L: 7 M: 9 N: 17 O: 8 P: 11 Q: 6 R: 12 S: 18 T: 12 U: 122 V: 14 W: 10 X: 47 Y: 7 Z: 32 Z: 29 Z: 11 Z: 9 Z: 6 Z: 9 Z: 11 CC for partial structure against native data = 18.73 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.403, Connect. = 0.677 for dens.mod. cycle 1 = 0.300, Contrast = 0.470, Connect. = 0.702 for dens.mod. cycle 2 = 0.300, Contrast = 0.543, Connect. = 0.737 for dens.mod. cycle 3 = 0.300, Contrast = 0.553, Connect. = 0.743 for dens.mod. cycle 4 = 0.300, Contrast = 0.562, Connect. = 0.748 for dens.mod. cycle 5 = 0.300, Contrast = 0.567, Connect. = 0.752 for dens.mod. cycle 6 = 0.300, Contrast = 0.572, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.574, Connect. = 0.757 for dens.mod. cycle 8 = 0.300, Contrast = 0.577, Connect. = 0.759 for dens.mod. cycle 9 = 0.300, Contrast = 0.577, Connect. = 0.760 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6602 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1183 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 17.280 2.088 0.587 0.672 0.909 0.818 CB 1.476 B: 18 23.835 2.303 0.379 0.899 1.000 0.706 CB 1.301 C: 17 17.293 2.216 0.541 0.359 0.938 0.375 CA 1.572 D: 17 25.379 2.137 0.787 0.838 0.812 0.625 CB 1.527 E: 20 41.128 2.328 0.752 0.940 1.000 0.526 CB 1.606 17 residues pruned to eliminate duplicates F: 22 28.502 2.156 0.371 0.905 1.000 0.857 CB 1.497 20 residues pruned to eliminate duplicates G: 122 50.716 2.177 0.530 0.460 0.901 0.512 CB 1.601 39 residues pruned to eliminate duplicates H: 21 35.682 2.154 0.518 0.941 1.000 0.900 CB 1.693 I: 20 41.307 2.338 0.690 0.927 1.000 0.632 CB 1.680 20 residues pruned to eliminate duplicates J: 13 19.929 2.073 0.673 0.910 1.000 0.750 CB 1.176 13 residues pruned to eliminate duplicates K: 20 34.060 2.288 0.509 0.925 1.000 0.789 CB 1.588 20 residues pruned to eliminate duplicates L: 13 22.674 2.285 0.500 0.924 1.000 0.750 CB 1.341 13 residues pruned to eliminate duplicates M: 16 22.891 2.226 0.220 0.880 1.000 0.733 CB 1.577 16 residues pruned to eliminate duplicates N: 12 13.860 1.834 0.535 0.587 1.000 0.727 CA 1.366 O: 21 31.787 2.299 0.435 0.946 0.950 0.650 CB 1.568 21 residues pruned to eliminate duplicates P: 13 12.557 2.086 0.492 0.454 0.750 0.417 CB 1.629 13 residues pruned to eliminate duplicates Q: 22 36.987 2.220 0.625 0.911 1.000 0.857 CB 1.586 22 residues pruned to eliminate duplicates R: 21 33.793 2.094 0.851 0.942 1.000 0.750 CA 1.352 S: 20 35.920 2.264 0.731 0.918 1.000 0.895 CB 1.482 18 residues pruned to eliminate duplicates T: 32 21.169 2.220 0.510 0.328 0.839 0.452 CB 1.633 32 residues pruned to eliminate duplicates U: 11 9.920 1.916 0.503 0.540 0.900 0.800 CB 1.164 V: 16 11.780 1.860 0.537 0.446 0.800 0.667 CA 1.406 W: 8 3.212 1.562 0.290 0.341 0.714 0.429 CB 1.003 X: 20 31.534 2.310 0.431 0.920 1.000 0.789 CB 1.541 20 residues pruned to eliminate duplicates Y: 24 29.682 1.963 0.543 0.851 1.000 0.783 CB 1.512 24 residues pruned to eliminate duplicates Z: 21 26.027 2.146 0.505 0.886 1.000 0.800 CB 1.300 21 residues pruned to eliminate duplicates Z: 20 31.420 2.301 0.442 0.926 1.000 0.895 CB 1.523 20 residues pruned to eliminate duplicates Z: 11 10.017 2.005 0.748 0.384 0.700 0.500 CA 1.462 Z: 20 32.901 2.128 0.697 0.927 1.000 0.842 CA 1.464 20 residues pruned to eliminate duplicates Z: 20 41.279 2.295 0.875 0.947 1.000 0.579 CB 1.521 20 residues pruned to eliminate duplicates Z: 22 28.587 2.178 0.369 0.885 1.000 0.857 CB 1.510 22 residues pruned to eliminate duplicates Z: 13 20.540 2.325 0.332 0.888 1.000 0.833 CB 1.379 13 residues pruned to eliminate duplicates Z: 22 40.942 2.145 0.756 0.922 1.000 0.524 CB 1.668 21 residues pruned to eliminate duplicates Z: 15 9.868 1.693 0.690 0.307 0.857 0.286 CA 1.332 11 residues pruned to eliminate duplicates Z: 10 12.138 1.965 0.302 0.828 0.889 0.556 CB 1.339 10 residues pruned to eliminate duplicates Z: 21 31.558 2.159 0.671 0.895 1.000 0.750 CB 1.402 21 residues pruned to eliminate duplicates Z: 23 27.942 2.032 0.337 0.943 1.000 1.000 CA 1.520 23 residues pruned to eliminate duplicates Z: 14 13.944 2.022 0.443 0.471 0.846 0.692 CA 1.614 Z: 10 11.056 2.001 0.305 0.552 0.889 0.778 CA 1.508 Z: 12 8.077 1.839 0.178 0.520 0.909 0.545 CB 1.213 12 residues pruned to eliminate duplicates Z: 34 20.024 2.044 0.485 0.444 0.848 0.545 CA 1.434 21 residues pruned to eliminate duplicates Z: 20 41.519 2.178 0.748 0.925 1.000 0.842 CB 1.755 20 residues pruned to eliminate duplicates Z: 20 40.535 2.301 0.939 0.917 0.947 0.421 CB 1.552 20 residues pruned to eliminate duplicates Z: 32 21.253 2.188 0.445 0.361 0.871 0.419 CB 1.609 32 residues pruned to eliminate duplicates Z: 14 13.299 1.926 0.406 0.510 0.846 0.692 CB 1.594 14 residues pruned to eliminate duplicates Z: 20 31.979 2.238 0.818 0.869 0.947 0.526 CB 1.390 18 residues pruned to eliminate duplicates Z: 11 6.676 1.809 0.564 0.378 0.900 0.600 CB 0.944 Z: 22 36.477 2.089 0.700 0.916 0.952 0.810 CB 1.662 22 residues pruned to eliminate duplicates Z: 21 28.049 2.084 0.585 0.908 0.950 0.550 CA 1.420 21 residues pruned to eliminate duplicates Z: 17 37.024 2.239 0.816 0.896 0.938 0.500 CB 1.740 17 residues pruned to eliminate duplicates Z: 20 26.853 2.118 0.476 0.908 1.000 0.789 CB 1.400 20 residues pruned to eliminate duplicates Z: 48 34.576 2.150 0.471 0.638 0.915 0.723 CB 1.532 22 residues pruned to eliminate duplicates Z: 11 20.990 2.217 0.734 0.717 1.000 0.800 CB 1.419 12 residues pruned to eliminate duplicates Z: 12 21.854 2.260 0.302 0.888 1.000 0.909 CB 1.613 12 residues pruned to eliminate duplicates Z: 13 10.231 2.081 0.283 0.396 0.833 0.667 CB 1.482 Z: 62 28.492 2.165 0.425 0.368 0.902 0.475 CB 1.512 62 residues pruned to eliminate duplicates Z: 12 13.944 1.943 0.509 0.454 1.000 0.727 CA 1.503 Z: 13 7.729 1.826 0.244 0.451 0.750 0.667 CA 1.376 13 residues pruned to eliminate duplicates Z: 31 23.798 2.179 0.639 0.367 0.867 0.400 CB 1.618 31 residues pruned to eliminate duplicates Z: 33 20.196 2.210 0.521 0.331 0.812 0.406 CB 1.573 33 residues pruned to eliminate duplicates Z: 23 31.221 2.030 0.460 0.924 1.000 0.909 CA 1.577 23 residues pruned to eliminate duplicates Z: 66 30.651 2.150 0.526 0.337 0.877 0.477 CB 1.579 66 residues pruned to eliminate duplicates Z: 12 29.749 2.368 0.694 0.918 1.000 0.909 CB 1.577 12 residues pruned to eliminate duplicates Z: 13 16.332 2.009 0.643 0.666 0.917 0.667 CB 1.336 Z: 24 21.052 2.282 0.659 0.302 0.870 0.391 CB 1.663 24 residues pruned to eliminate duplicates Z: 7 8.389 1.917 0.132 0.690 1.000 0.667 CA 1.327 Z: 10 15.721 2.168 0.281 0.876 1.000 0.667 CB 1.372 10 residues pruned to eliminate duplicates Z: 10 16.933 2.040 0.551 0.644 1.000 0.778 CA 1.559 Z: 6 9.361 1.976 0.520 0.732 1.000 0.800 CB 1.131 Z: 19 32.257 2.170 0.574 0.887 0.944 0.889 CB 1.699 19 residues pruned to eliminate duplicates Z: 11 14.674 2.111 0.335 0.671 1.000 1.000 CB 1.406 11 residues pruned to eliminate duplicates Z: 6 5.197 1.955 0.374 0.437 1.000 0.600 CB 0.924 Z: 22 37.598 2.117 0.625 0.917 1.000 0.857 CA 1.683 22 residues pruned to eliminate duplicates Z: 30 21.660 2.231 0.505 0.362 0.862 0.483 CB 1.613 30 residues pruned to eliminate duplicates Z: 9 16.382 1.892 0.547 0.797 1.000 0.500 CB 1.526 9 residues pruned to eliminate duplicates Z: 18 23.140 2.016 0.498 0.912 1.000 0.882 CA 1.316 18 residues pruned to eliminate duplicates Z: 15 18.407 2.098 0.705 0.447 0.929 0.286 CB 1.563 17 residues pruned to eliminate duplicates Z: 22 34.615 2.117 0.530 0.918 1.000 0.952 CA 1.644 22 residues pruned to eliminate duplicates Z: 12 10.086 2.050 0.276 0.494 0.818 0.545 CA 1.430 12 residues pruned to eliminate duplicates Z: 16 11.049 2.111 0.192 0.439 0.867 0.533 CB 1.393 16 residues pruned to eliminate duplicates Z: 21 37.034 2.286 0.768 0.915 0.950 0.450 CB 1.524 21 residues pruned to eliminate duplicates Z: 20 41.746 2.349 0.719 0.923 1.000 0.579 CB 1.667 20 residues pruned to eliminate duplicates Z: 6 5.018 1.758 0.661 0.589 0.800 0.400 CB 0.882 6 residues pruned to eliminate duplicates Z: 21 21.000 2.193 0.334 0.906 0.950 0.650 CB 1.201 21 residues pruned to eliminate duplicates Z: 22 31.902 2.199 0.417 0.929 1.000 0.905 CB 1.563 22 residues pruned to eliminate duplicates Z: 43 33.828 2.196 0.536 0.585 0.952 0.667 CB 1.498 43 residues pruned to eliminate duplicates Z: 8 4.259 1.675 0.457 0.352 0.857 0.571 CB 0.903 8 residues pruned to eliminate duplicates Z: 40 23.303 2.020 0.763 0.428 0.897 0.564 CA 1.259 33 residues pruned to eliminate duplicates Z: 12 16.048 2.031 0.353 0.888 1.000 0.909 CB 1.269 Z: 23 39.057 2.017 0.714 0.938 1.000 0.682 CA 1.675 23 residues pruned to eliminate duplicates Z: 44 33.891 2.165 0.555 0.605 0.907 0.698 CB 1.531 44 residues pruned to eliminate duplicates Z: 16 23.274 2.233 0.585 0.794 1.000 0.600 CB 1.312 16 residues pruned to eliminate duplicates Z: 10 11.324 1.818 0.964 0.430 0.889 0.333 CB 1.279 10 residues pruned to eliminate duplicates Z: 21 17.244 2.113 0.379 0.517 0.850 0.550 CA 1.531 9 residues pruned to eliminate duplicates Z: 10 13.637 1.836 0.553 0.836 1.000 0.444 CA 1.194 10 residues pruned to eliminate duplicates Z: 32 25.781 2.076 0.489 0.703 0.968 0.581 CA 1.286 21 residues pruned to eliminate duplicates Z: 12 11.281 2.031 0.104 0.877 1.000 0.545 CB 1.101 12 residues pruned to eliminate duplicates Z: 6 4.510 1.864 -0.023 0.517 0.800 0.600 CB 1.361 Z: 55 43.384 2.218 0.707 0.633 0.907 0.593 CB 1.516 56 residues pruned to eliminate duplicates Z: 9 12.143 1.835 0.814 0.496 1.000 0.500 CA 1.295 9 residues pruned to eliminate duplicates Z: 21 8.805 1.872 0.150 0.355 0.750 0.400 N 1.427 12 residues pruned to eliminate duplicates Z: 13 11.234 1.864 0.534 0.504 0.833 0.667 CB 1.356 13 residues pruned to eliminate duplicates Z: 7 3.855 1.758 0.523 0.403 0.500 0.500 CB 1.301 Z: 9 8.326 1.861 0.744 0.520 0.750 0.625 CB 1.185 9 residues pruned to eliminate duplicates Z: 29 26.640 2.171 0.347 0.648 0.929 0.750 CA 1.615 29 residues pruned to eliminate duplicates Z: 12 16.914 2.082 0.406 0.883 1.000 0.727 CB 1.259 12 residues pruned to eliminate duplicates Z: 6 5.623 1.872 0.329 0.774 0.800 0.600 CB 0.992 6 residues pruned to eliminate duplicates Z: 48 36.247 2.147 0.512 0.630 0.936 0.702 CB 1.540 48 residues pruned to eliminate duplicates Z: 12 20.798 2.371 0.371 0.842 0.909 0.636 CB 1.581 12 residues pruned to eliminate duplicates Z: 12 9.845 1.837 0.686 0.380 0.909 0.636 CB 1.199 6 residues pruned to eliminate duplicates Z: 13 9.062 1.766 0.511 0.307 0.917 0.667 CB 1.325 Z: 20 31.548 2.114 0.524 0.923 1.000 0.895 CB 1.578 20 residues pruned to eliminate duplicates Z: 25 13.139 2.021 0.547 0.362 0.917 0.583 CB 1.085 25 residues pruned to eliminate duplicates Z: 9 13.357 1.892 0.427 0.845 1.000 0.750 CA 1.302 9 residues pruned to eliminate duplicates Z: 63 32.100 2.165 0.455 0.347 0.935 0.435 CB 1.635 63 residues pruned to eliminate duplicates Z: 44 30.194 2.134 0.398 0.568 0.930 0.651 CB 1.554 44 residues pruned to eliminate duplicates Z: 22 31.605 2.067 0.454 0.948 1.000 0.952 CB 1.585 22 residues pruned to eliminate duplicates Z: 21 43.472 2.202 0.918 0.921 0.950 0.550 CB 1.705 22 residues pruned to eliminate duplicates Z: 17 12.066 2.126 0.286 0.403 0.812 0.438 CB 1.503 17 residues pruned to eliminate duplicates Z: 10 12.944 1.902 0.700 0.635 1.000 0.778 CB 1.176 Z: 8 14.506 1.811 0.795 0.792 1.000 1.000 CB 1.305 Z: 12 12.995 1.916 0.265 0.615 1.000 0.727 N 1.450 10 residues pruned to eliminate duplicates Z: 9 14.613 1.910 0.511 0.624 1.000 0.750 CA 1.593 9 residues pruned to eliminate duplicates Z: 8 12.068 2.145 0.577 0.682 0.857 0.571 CB 1.331 8 residues pruned to eliminate duplicates Z: 10 9.571 1.659 0.853 0.446 0.889 0.556 CA 1.234 10 residues pruned to eliminate duplicates Z: 17 10.225 1.905 0.282 0.373 0.812 0.375 CA 1.475 17 residues pruned to eliminate duplicates Z: 12 10.415 1.719 0.686 0.456 0.818 0.636 N 1.384 12 residues pruned to eliminate duplicates Z: 17 17.982 2.197 0.624 0.430 0.938 0.500 CB 1.446 17 residues pruned to eliminate duplicates Z: 10 8.474 1.928 0.068 0.512 0.778 0.444 CB 1.743 Z: 7 7.749 1.478 0.637 0.868 1.000 1.000 CA 0.956 Z: 17 7.811 1.731 0.269 0.240 0.875 0.688 N 1.371 14 residues pruned to eliminate duplicates Z: 8 10.336 2.033 0.203 0.680 0.857 0.429 CB 1.579 6 residues pruned to eliminate duplicates Z: 10 16.246 2.237 0.452 0.455 1.000 0.667 CB 1.747 10 residues pruned to eliminate duplicates Z: 6 6.651 1.868 0.508 0.527 0.800 0.600 CA 1.286 6 residues pruned to eliminate duplicates Z: 7 4.965 1.541 0.058 0.745 1.000 1.000 CB 0.999 Z: 10 11.577 1.803 0.903 0.511 0.889 0.444 CA 1.251 10 residues pruned to eliminate duplicates Z: 19 29.927 2.054 0.721 0.921 1.000 0.889 CA 1.404 19 residues pruned to eliminate duplicates Z: 11 8.806 1.614 0.451 0.369 1.000 0.600 CB 1.369 11 residues pruned to eliminate duplicates Z: 6 4.933 1.683 0.294 0.432 0.800 0.600 N 1.358 Z: 17 13.369 2.030 0.205 0.511 0.875 0.562 CA 1.544 17 residues pruned to eliminate duplicates Z: 21 27.067 2.163 0.539 0.681 0.950 0.850 CA 1.620 21 residues pruned to eliminate duplicates Z: 34 30.900 2.103 0.466 0.715 0.909 0.727 CB 1.580 34 residues pruned to eliminate duplicates Z: 21 45.614 2.259 1.009 0.919 1.000 0.450 CB 1.584 21 residues pruned to eliminate duplicates Z: 13 7.327 2.049 0.149 0.384 0.750 0.583 CA 1.354 13 residues pruned to eliminate duplicates Z: 9 10.037 1.958 0.255 0.609 1.000 0.875 CB 1.302 10 residues pruned to eliminate duplicates Z: 16 11.645 1.857 0.427 0.281 0.933 0.667 CA 1.557 22 residues pruned to eliminate duplicates Z: 39 17.045 2.068 0.356 0.331 0.816 0.395 CB 1.454 39 residues pruned to eliminate duplicates Z: 29 17.083 2.103 0.512 0.376 0.786 0.429 CB 1.476 29 residues pruned to eliminate duplicates Z: 10 6.440 1.716 0.074 0.431 0.889 0.556 N 1.408 10 residues pruned to eliminate duplicates Z: 13 14.074 2.000 0.563 0.569 0.917 0.583 CA 1.326 14 residues pruned to eliminate duplicates Z: 16 16.733 2.313 0.424 0.378 0.867 0.467 CB 1.723 16 residues pruned to eliminate duplicates Z: 14 11.394 1.976 0.440 0.501 0.846 0.538 CB 1.310 14 residues pruned to eliminate duplicates Z: 8 8.173 1.966 -0.003 0.855 0.857 0.714 CB 1.357 8 residues pruned to eliminate duplicates Z: 11 10.064 1.808 0.644 0.476 0.800 0.600 CA 1.371 11 residues pruned to eliminate duplicates Z: 21 30.259 2.257 0.498 0.666 1.000 0.700 CA 1.716 21 residues pruned to eliminate duplicates Z: 9 5.962 1.994 0.380 0.356 0.750 0.375 CA 1.194 9 residues pruned to eliminate duplicates Z: 55 26.390 2.172 0.467 0.327 0.870 0.481 CB 1.566 55 residues pruned to eliminate duplicates Z: 11 16.662 2.066 0.439 0.565 1.000 0.700 N 1.665 11 residues pruned to eliminate duplicates Z: 20 13.148 2.163 0.512 0.380 0.737 0.526 CB 1.422 20 residues pruned to eliminate duplicates Z: 20 7.395 1.739 0.219 0.361 0.789 0.421 CB 1.177 10 residues pruned to eliminate duplicates Z: 22 28.639 2.080 0.693 0.922 0.857 0.381 CB 1.456 22 residues pruned to eliminate duplicates Z: 6 4.599 2.012 0.204 0.338 0.800 0.600 CB 1.267 Z: 13 8.722 1.873 0.164 0.428 0.833 0.500 CB 1.493 13 residues pruned to eliminate duplicates Z: 25 19.779 2.073 0.569 0.445 0.875 0.458 CB 1.501 25 residues pruned to eliminate duplicates Z: 53 28.711 2.122 0.419 0.406 0.942 0.519 CA 1.548 53 residues pruned to eliminate duplicates Z: 8 9.532 1.802 0.190 0.616 1.000 0.714 CA 1.505 Z: 11 6.937 1.955 0.884 0.199 0.700 0.500 CB 1.217 11 residues pruned to eliminate duplicates Z: 12 5.846 1.589 0.401 0.425 0.727 0.455 N 1.178 12 residues pruned to eliminate duplicates Z: 14 9.731 1.743 0.677 0.509 0.923 0.692 CB 0.991 13 residues pruned to eliminate duplicates Z: 9 14.632 1.793 0.847 0.745 0.875 0.625 CA 1.434 11 residues pruned to eliminate duplicates Z: 19 24.603 2.158 0.178 0.915 1.000 1.000 CA 1.613 19 residues pruned to eliminate duplicates Z: 12 11.247 1.890 0.243 0.617 0.909 0.727 CA 1.421 12 residues pruned to eliminate duplicates Z: 14 8.848 1.845 0.173 0.408 0.923 0.769 CA 1.353 14 residues pruned to eliminate duplicates Z: 24 25.534 2.170 0.538 0.573 0.957 0.696 CB 1.554 24 residues pruned to eliminate duplicates Z: 12 8.866 1.988 0.125 0.590 0.727 0.636 CA 1.508 12 residues pruned to eliminate duplicates Z: 15 13.676 1.942 0.584 0.528 0.857 0.571 CB 1.348 11 residues pruned to eliminate duplicates Z: 16 15.347 2.184 0.596 0.506 0.867 0.733 CB 1.304 16 residues pruned to eliminate duplicates Z: 8 2.715 1.736 0.167 0.314 0.571 0.429 CB 1.089 Z: 46 24.331 2.206 0.344 0.353 0.867 0.467 CB 1.655 46 residues pruned to eliminate duplicates Z: 7 6.442 1.673 0.834 0.507 0.833 0.833 CB 1.021 7 residues pruned to eliminate duplicates Z: 9 11.674 2.022 0.468 0.663 1.000 0.750 CB 1.196 10 residues pruned to eliminate duplicates Z: 9 8.591 1.846 0.173 0.410 1.000 0.375 N 1.542 9 residues pruned to eliminate duplicates Z: 13 7.149 1.677 0.501 0.358 0.833 0.417 CA 1.146 13 residues pruned to eliminate duplicates Z: 16 8.131 1.744 0.374 0.447 0.733 0.467 CB 1.261 Z: 11 9.941 1.919 0.141 0.581 1.000 0.600 CA 1.328 11 residues pruned to eliminate duplicates Z: 11 20.474 2.191 0.702 0.716 1.000 1.000 CB 1.428 15 residues pruned to eliminate duplicates Z: 9 2.968 1.608 0.117 0.238 0.750 0.250 CB 1.054 Z: 10 7.482 1.814 0.127 0.633 0.889 0.444 CB 1.211 Z: 17 29.056 2.148 0.832 0.912 0.938 0.500 CB 1.395 17 residues pruned to eliminate duplicates Z: 27 21.534 2.226 0.361 0.419 0.962 0.577 CB 1.577 36 residues pruned to eliminate duplicates Z: 12 9.931 1.944 0.431 0.500 0.727 0.455 CB 1.480 13 residues pruned to eliminate duplicates Z: 14 10.359 1.997 0.152 0.509 0.923 0.385 CA 1.341 14 residues pruned to eliminate duplicates Z: 8 8.466 1.944 0.317 0.893 0.714 0.429 CB 1.257 8 residues pruned to eliminate duplicates Z: 10 6.392 1.705 0.186 0.339 0.889 0.667 CA 1.414 10 residues pruned to eliminate duplicates Z: 22 14.539 2.054 0.364 0.380 0.762 0.524 CA 1.689 22 residues pruned to eliminate duplicates Z: 12 14.991 2.071 0.117 0.894 1.000 0.909 CB 1.402 12 residues pruned to eliminate duplicates Z: 6 3.644 1.746 0.219 0.309 0.800 0.400 CB 1.182 Z: 18 15.297 2.120 0.352 0.473 0.824 0.529 CB 1.616 18 residues pruned to eliminate duplicates Z: 8 9.507 2.001 0.128 0.896 0.857 0.571 CB 1.331 8 residues pruned to eliminate duplicates Z: 11 8.834 1.687 0.857 0.436 0.900 0.500 CB 1.058 10 residues pruned to eliminate duplicates Z: 7 8.309 2.112 0.169 0.678 0.833 0.833 CB 1.400 7 residues pruned to eliminate duplicates Z: 29 24.519 2.242 0.684 0.350 0.857 0.393 CB 1.685 29 residues pruned to eliminate duplicates Z: 6 4.221 1.581 0.240 0.544 0.800 0.600 CA 1.152 Z: 18 12.928 1.849 0.379 0.504 1.000 0.647 CA 1.224 22 residues pruned to eliminate duplicates Z: 30 17.478 2.211 0.446 0.336 0.759 0.483 CB 1.600 30 residues pruned to eliminate duplicates Z: 19 26.336 2.084 0.773 0.910 0.889 0.333 CA 1.340 19 residues pruned to eliminate duplicates Z: 14 17.711 2.039 0.841 0.868 0.846 0.615 CB 1.130 15 residues pruned to eliminate duplicates Z: 8 5.226 2.139 0.232 0.411 0.571 0.429 CB 1.440 8 residues pruned to eliminate duplicates Z: 12 8.895 1.880 0.453 0.390 0.909 0.364 CA 1.214 11 residues pruned to eliminate duplicates Z: 10 7.321 1.792 0.342 0.502 0.889 0.556 CB 1.139 Z: 8 8.876 1.926 0.124 0.903 0.857 0.857 CB 1.288 8 residues pruned to eliminate duplicates Z: 31 23.496 2.172 0.651 0.332 0.867 0.533 CB 1.659 31 residues pruned to eliminate duplicates Z: 30 17.267 2.158 0.401 0.376 0.828 0.379 CB 1.462 30 residues pruned to eliminate duplicates Z: 9 14.996 2.050 0.507 0.864 0.875 0.625 CA 1.437 9 residues pruned to eliminate duplicates Z: 27 35.219 2.199 0.673 0.733 0.962 0.846 CA 1.584 27 residues pruned to eliminate duplicates Z: 17 10.162 1.711 0.607 0.422 0.812 0.625 CA 1.233 17 residues pruned to eliminate duplicates Z: 50 22.408 2.091 0.453 0.343 0.857 0.408 CB 1.458 50 residues pruned to eliminate duplicates Z: 7 3.227 1.530 0.525 0.331 0.667 0.500 N 1.019 Z: 10 13.863 1.726 0.417 0.870 1.000 0.556 CA 1.379 10 residues pruned to eliminate duplicates Z: 19 18.319 2.061 0.414 0.909 1.000 0.889 CA 1.052 19 residues pruned to eliminate duplicates Z: 10 11.497 1.778 0.486 0.568 1.000 0.556 CA 1.359 7 residues pruned to eliminate duplicates Z: 8 4.923 1.658 0.197 0.391 0.857 0.286 N 1.227 8 residues pruned to eliminate duplicates Z: 7 9.453 1.777 0.506 0.773 1.000 1.000 CB 1.133 12 residues pruned to eliminate duplicates Z: 12 11.568 2.069 0.508 0.451 1.000 0.727 CA 1.176 12 residues pruned to eliminate duplicates Z: 22 28.965 2.058 0.424 0.927 1.000 0.905 CB 1.511 22 residues pruned to eliminate duplicates Z: 20 31.403 2.099 0.907 0.894 1.000 0.684 CA 1.291 20 residues pruned to eliminate duplicates Z: 11 9.056 1.788 0.304 0.582 1.000 0.700 CA 1.135 9 residues pruned to eliminate duplicates Z: 7 5.042 2.048 0.197 0.758 0.500 0.500 CB 1.335 7 residues pruned to eliminate duplicates Z: 6 5.180 1.861 -0.142 0.762 0.800 0.600 C 1.437 Z: 6 9.562 1.993 0.689 0.704 0.800 0.800 CA 1.318 7 residues pruned to eliminate duplicates Z: 10 19.179 2.177 0.572 0.885 1.000 0.667 CB 1.349 10 residues pruned to eliminate duplicates Z: 11 9.786 1.871 0.328 0.574 0.900 0.700 CA 1.289 21 residues pruned to eliminate duplicates Z: 17 13.956 1.949 0.549 0.444 0.875 0.625 CA 1.398 17 residues pruned to eliminate duplicates Z: 19 13.164 1.790 0.574 0.402 0.889 0.667 CB 1.374 9 residues pruned to eliminate duplicates Z: 6 2.064 1.617 0.707 0.516 0.800 0.600 CB 0.411 Z: 11 3.649 1.653 0.132 0.371 0.800 0.500 CB 0.886 Z: 8 6.471 1.929 0.242 0.434 0.857 0.714 CA 1.276 8 residues pruned to eliminate duplicates Z: 10 5.248 1.579 0.582 0.354 0.667 0.444 CA 1.230 6 residues pruned to eliminate duplicates Z: 9 13.144 2.084 0.372 0.623 0.875 0.750 CA 1.654 10 residues pruned to eliminate duplicates Z: 8 3.357 1.727 -0.074 0.230 0.857 0.429 CA 1.268 8 residues pruned to eliminate duplicates 6 1.110 1.691 0.026 0.343 0.600 0.400 CB 0.566 ? Z: 11 19.460 2.198 0.458 0.839 1.000 0.600 CB 1.434 11 residues pruned to eliminate duplicates Z: 9 5.822 1.679 0.479 0.346 0.750 0.750 C 1.306 7 residues pruned to eliminate duplicates Z: 30 20.713 2.072 0.554 0.459 0.828 0.517 CB 1.506 30 residues pruned to eliminate duplicates Z: 10 6.115 1.613 0.502 0.441 0.667 0.333 CB 1.340 7 residues pruned to eliminate duplicates Z: 21 25.943 2.009 0.744 0.913 0.850 0.500 CA 1.378 21 residues pruned to eliminate duplicates Z: 14 14.484 1.934 0.567 0.558 1.000 0.769 CB 1.254 15 residues pruned to eliminate duplicates Z: 6 2.678 1.662 0.217 0.299 0.800 0.400 CB 0.926 Z: 10 16.831 1.970 0.513 0.785 1.000 0.667 CB 1.464 10 residues pruned to eliminate duplicates Z: 13 9.901 2.013 0.399 0.421 0.917 0.667 CB 1.202 11 residues pruned to eliminate duplicates Z: 7 3.169 1.473 0.160 0.298 1.000 0.333 CA 0.949 Z: 8 3.463 1.770 0.254 0.214 0.571 0.429 N 1.446 Z: 8 12.553 1.729 0.547 0.772 1.000 0.714 CB 1.394 6 residues pruned to eliminate duplicates Z: 60 25.554 2.162 0.453 0.315 0.864 0.458 CB 1.504 60 residues pruned to eliminate duplicates Z: 9 13.105 1.938 0.352 0.885 0.875 0.500 CB 1.459 9 residues pruned to eliminate duplicates Z: 22 11.026 1.759 0.356 0.498 0.857 0.429 CB 1.178 21 residues pruned to eliminate duplicates Z: 14 17.876 1.993 0.302 0.893 0.923 0.692 CB 1.486 14 residues pruned to eliminate duplicates Z: 7 8.253 1.682 1.067 0.609 0.833 0.500 CB 1.049 Z: 9 6.857 1.633 0.679 0.445 0.875 0.750 CB 1.069 9 residues pruned to eliminate duplicates Z: 9 12.526 2.076 0.488 0.626 0.875 0.750 CB 1.455 15 residues pruned to eliminate duplicates Z: 18 17.537 2.018 0.625 0.871 0.941 0.765 CA 1.005 18 residues pruned to eliminate duplicates Z: 11 8.386 1.769 0.140 0.665 1.000 0.500 CB 1.129 11 residues pruned to eliminate duplicates Z: 10 12.755 1.771 0.546 0.814 0.889 0.667 CA 1.330 10 residues pruned to eliminate duplicates Z: 7 5.965 1.913 0.216 0.447 0.833 0.500 CB 1.327 7 residues pruned to eliminate duplicates Z: 12 12.497 2.118 0.584 0.319 0.909 0.364 CB 1.507 12 residues pruned to eliminate duplicates Z: 11 13.089 1.917 0.505 0.605 1.000 0.800 CA 1.298 11 residues pruned to eliminate duplicates Z: 8 2.336 1.495 0.230 0.209 0.714 0.286 CA 0.948 4 residues pruned to eliminate duplicates Z: 20 29.455 2.234 0.693 0.878 0.895 0.474 CB 1.449 20 residues pruned to eliminate duplicates Z: 19 6.786 1.664 0.311 0.335 0.722 0.278 CB 1.215 Z: 9 13.400 1.979 0.632 0.835 1.000 0.625 CA 1.099 9 residues pruned to eliminate duplicates Z: 47 34.392 2.116 0.542 0.643 0.957 0.696 CB 1.422 47 residues pruned to eliminate duplicates Z: 10 14.302 1.892 0.441 0.871 1.000 0.778 CA 1.276 10 residues pruned to eliminate duplicates Z: 10 5.951 1.843 0.234 0.397 0.667 0.444 CB 1.458 10 residues pruned to eliminate duplicates Z: 8 3.004 1.570 0.412 0.333 0.714 0.429 N 0.860 Z: 10 7.958 1.911 0.186 0.488 0.778 0.667 CA 1.524 10 residues pruned to eliminate duplicates Z: 21 18.183 1.961 0.421 0.523 0.950 0.550 CA 1.501 21 residues pruned to eliminate duplicates Z: 7 7.176 1.886 0.198 0.480 1.000 0.500 N 1.323 7 residues pruned to eliminate duplicates Z: 42 25.054 2.136 0.536 0.356 0.902 0.488 CA 1.544 42 residues pruned to eliminate duplicates Z: 9 11.673 1.820 0.599 0.608 0.875 0.625 CA 1.462 9 residues pruned to eliminate duplicates Z: 12 13.941 2.021 0.349 0.851 0.909 0.727 CB 1.255 12 residues pruned to eliminate duplicates Z: 33 18.771 2.090 0.488 0.409 0.938 0.594 CB 1.253 33 residues pruned to eliminate duplicates Z: 32 21.434 2.126 0.624 0.318 0.871 0.516 CB 1.565 32 residues pruned to eliminate duplicates Z: 17 23.303 2.039 0.628 0.905 1.000 0.750 CA 1.249 17 residues pruned to eliminate duplicates Z: 16 24.077 2.103 0.488 0.915 1.000 0.467 CA 1.404 16 residues pruned to eliminate duplicates Z: 13 13.810 1.980 0.508 0.507 0.917 0.750 CB 1.447 13 residues pruned to eliminate duplicates Z: 7 7.930 1.708 0.756 0.374 0.833 0.500 CA 1.483 Z: 12 17.087 1.918 0.766 0.536 1.000 1.000 N 1.467 12 residues pruned to eliminate duplicates Z: 28 31.209 2.069 0.452 0.773 0.963 0.815 CA 1.630 28 residues pruned to eliminate duplicates Z: 8 4.351 1.536 0.285 0.469 0.857 0.857 CB 1.003 Z: 16 8.074 1.489 0.749 0.344 0.800 0.467 CB 1.185 Z: 11 6.924 1.799 0.215 0.516 0.800 0.700 CA 1.233 10 residues pruned to eliminate duplicates Z: 8 10.242 2.147 0.205 0.597 0.857 0.714 CA 1.590 8 residues pruned to eliminate duplicates Z: 55 28.422 2.171 0.531 0.332 0.889 0.481 CB 1.573 55 residues pruned to eliminate duplicates Z: 8 6.070 1.620 0.200 0.568 1.000 0.714 CA 1.105 8 residues pruned to eliminate duplicates Z: 26 16.690 2.051 0.444 0.470 0.800 0.480 CA 1.452 23 residues pruned to eliminate duplicates Z: 31 26.325 2.066 0.504 0.608 0.867 0.733 CA 1.612 31 residues pruned to eliminate duplicates Z: 10 12.076 2.150 0.815 0.273 0.889 0.333 CA 1.502 10 residues pruned to eliminate duplicates Z: 9 12.097 1.787 0.628 0.817 0.875 0.750 CA 1.277 9 residues pruned to eliminate duplicates Z: 9 16.150 2.202 0.509 0.732 1.000 0.750 CB 1.395 9 residues pruned to eliminate duplicates Z: 11 22.140 2.068 0.747 0.899 1.000 0.800 CB 1.385 11 residues pruned to eliminate duplicates Z: 10 6.304 1.741 0.175 0.430 0.778 0.667 CB 1.420 7 residues pruned to eliminate duplicates Z: 31 18.360 2.109 0.381 0.295 0.933 0.567 CB 1.551 31 residues pruned to eliminate duplicates Z: 10 7.589 1.740 0.204 0.452 0.889 0.667 CB 1.426 10 residues pruned to eliminate duplicates Z: 23 21.577 2.193 0.495 0.484 0.864 0.500 CA 1.652 24 residues pruned to eliminate duplicates Z: 7 3.259 1.769 0.481 0.249 0.500 0.333 CB 1.355 Z: 12 14.320 2.004 0.353 0.889 1.000 0.636 CB 1.147 12 residues pruned to eliminate duplicates Z: 9 14.396 1.815 0.668 0.847 0.875 0.875 CA 1.426 9 residues pruned to eliminate duplicates Z: 8 7.974 1.671 0.486 0.650 0.857 0.571 CA 1.231 7 residues pruned to eliminate duplicates Z: 11 8.009 1.949 0.547 0.277 0.900 0.500 CB 1.201 11 residues pruned to eliminate duplicates Z: 6 3.371 1.476 0.397 0.580 1.000 0.600 CB 0.677 Z: 17 22.865 2.108 0.234 0.930 1.000 0.938 CA 1.537 17 residues pruned to eliminate duplicates Z: 18 28.921 2.037 0.812 0.896 0.941 0.412 CB 1.447 18 residues pruned to eliminate duplicates Z: 12 13.415 1.920 0.697 0.487 0.818 0.727 N 1.537 12 residues pruned to eliminate duplicates Z: 7 4.397 1.537 0.071 0.481 1.000 0.500 CB 1.112 6 residues pruned to eliminate duplicates Z: 11 7.485 1.799 0.327 0.512 0.800 0.700 CB 1.226 11 residues pruned to eliminate duplicates Z: 32 29.274 2.000 0.607 0.723 0.903 0.774 CB 1.481 32 residues pruned to eliminate duplicates Z: 6 2.457 1.440 0.168 0.529 0.800 0.600 C 0.794 Z: 21 36.860 2.147 0.790 0.940 1.000 0.650 CB 1.490 21 residues pruned to eliminate duplicates Z: 11 6.690 1.622 0.776 0.327 0.700 0.600 C 1.270 11 residues pruned to eliminate duplicates Z: 13 10.439 1.863 0.410 0.439 0.917 0.500 CB 1.334 9 residues pruned to eliminate duplicates Z: 6 2.895 1.502 0.380 0.440 0.600 0.400 CB 1.107 Z: 20 43.563 2.290 0.955 0.917 1.000 0.474 CB 1.575 20 residues pruned to eliminate duplicates Z: 7 13.594 1.938 0.445 0.718 1.000 1.000 CA 1.627 7 residues pruned to eliminate duplicates Z: 8 2.846 1.694 0.449 0.264 0.429 0.286 N 1.338 Z: 6 3.093 1.624 0.585 0.366 0.600 0.400 N 1.035 Z: 9 3.085 1.520 0.386 0.300 0.625 0.500 N 1.035 Z: 34 24.123 2.155 0.611 0.358 0.879 0.576 CB 1.604 34 residues pruned to eliminate duplicates Z: 10 18.348 2.003 0.704 0.714 1.000 0.667 CB 1.476 10 residues pruned to eliminate duplicates Z: 8 4.542 1.106 0.560 0.683 1.000 0.571 N 0.841 Z: 7 3.900 1.591 0.370 0.285 0.833 0.667 N 1.117 Z: 12 6.614 1.894 0.265 0.353 0.818 0.455 CB 1.192 12 residues pruned to eliminate duplicates Z: 9 4.243 1.454 0.667 0.459 0.875 0.625 CB 0.737 4 residues pruned to eliminate duplicates Z: 11 12.267 1.970 0.295 0.470 0.900 0.800 O 1.741 12 residues pruned to eliminate duplicates Z: 6 3.508 1.803 0.010 0.384 0.800 0.600 CB 1.218 6 residues pruned to eliminate duplicates Z: 8 8.443 1.660 0.518 0.663 0.857 0.857 CB 1.270 8 residues pruned to eliminate duplicates Z: 9 4.447 1.573 0.345 0.478 0.625 0.250 CA 1.215 9 residues pruned to eliminate duplicates Z: 6 2.744 1.628 0.220 0.482 0.600 0.600 CB 1.049 Z: 7 2.012 1.290 0.072 0.430 0.667 0.500 N 0.957 Z: 11 7.270 1.603 0.759 0.472 0.900 0.800 CB 0.933 11 residues pruned to eliminate duplicates Z: 35 24.383 2.183 0.556 0.321 0.941 0.471 CB 1.594 35 residues pruned to eliminate duplicates Z: 12 17.690 2.000 0.937 0.497 0.909 0.818 CB 1.518 24 residues pruned to eliminate duplicates Z: 6 2.917 1.764 -0.255 0.763 0.800 0.600 CB 0.982 Z: 21 23.744 1.834 0.510 0.853 1.000 0.600 CB 1.417 21 residues pruned to eliminate duplicates Z: 7 2.096 1.414 0.184 0.370 0.833 0.333 CB 0.705 Z: 43 28.731 2.181 0.618 0.337 0.952 0.548 CB 1.576 43 residues pruned to eliminate duplicates Z: 10 7.763 1.646 0.677 0.488 0.889 0.778 CB 1.067 10 residues pruned to eliminate duplicates Z: 8 2.420 1.400 0.545 0.341 0.714 0.571 N 0.704 Z: 7 3.063 1.780 -0.147 0.333 0.667 0.500 N 1.483 7 residues pruned to eliminate duplicates Z: 6 3.234 1.329 0.373 0.867 1.000 0.800 CB 0.580 Z: 9 9.461 1.663 0.562 0.691 1.000 0.750 CB 1.081 8 residues pruned to eliminate duplicates Z: 32 26.511 2.027 0.551 0.754 0.903 0.710 CA 1.337 33 residues pruned to eliminate duplicates Z: 7 6.178 1.774 0.282 0.514 0.833 0.500 CB 1.312 6 residues pruned to eliminate duplicates Z: 15 11.287 2.062 0.351 0.379 0.786 0.643 CB 1.567 15 residues pruned to eliminate duplicates Z: 7 7.343 1.845 0.353 0.538 0.833 0.833 CA 1.389 7 residues pruned to eliminate duplicates Z: 6 2.450 1.351 -0.059 0.438 1.000 0.600 CA 0.919 Z: 8 6.372 1.988 0.760 0.541 1.000 0.714 CB 0.661 8 residues pruned to eliminate duplicates Z: 10 9.473 1.801 0.476 0.567 0.889 0.778 CB 1.252 8 residues pruned to eliminate duplicates Z: 12 11.477 1.862 0.656 0.420 0.818 0.545 N 1.490 12 residues pruned to eliminate duplicates Z: 17 6.799 1.748 0.151 0.353 0.875 0.500 CB 1.132 6 residues pruned to eliminate duplicates Z: 6 2.554 1.715 0.011 0.295 0.800 0.800 CA 1.035 Z: 22 8.581 1.660 0.680 0.413 0.714 0.333 CB 1.030 12 residues pruned to eliminate duplicates Z: 9 2.193 1.488 0.350 0.211 0.500 0.375 N 1.085 9 residues pruned to eliminate duplicates Z: 14 8.769 1.767 0.250 0.389 0.923 0.615 N 1.342 14 residues pruned to eliminate duplicates Z: 9 2.700 1.531 -0.024 0.480 0.750 0.500 CB 0.870 9 residues pruned to eliminate duplicates Z: 9 4.179 1.754 0.411 0.371 0.625 0.625 CB 1.098 9 residues pruned to eliminate duplicates Z: 25 13.952 2.076 0.704 0.231 0.750 0.417 CB 1.469 25 residues pruned to eliminate duplicates Z: 15 10.188 1.877 0.680 0.459 0.714 0.357 CB 1.262 15 residues pruned to eliminate duplicates Z: 11 3.030 1.345 -0.035 0.365 0.900 0.400 N 0.949 6 0.968 1.233 0.037 0.295 0.600 0.600 CB 0.710 ? Z: 12 8.563 1.718 0.466 0.467 0.727 0.727 CA 1.457 12 residues pruned to eliminate duplicates Z: 6 3.079 1.460 0.660 0.352 0.600 0.200 N 1.111 Z: 18 26.607 2.072 0.711 0.864 0.941 0.412 CB 1.417 18 residues pruned to eliminate duplicates Z: 26 28.959 2.133 0.499 0.714 1.000 0.880 CB 1.493 26 residues pruned to eliminate duplicates Z: 7 11.867 2.125 1.079 0.729 0.667 0.167 CA 1.338 7 residues pruned to eliminate duplicates Z: 7 6.932 1.586 0.482 0.577 0.833 0.500 N 1.342 Z: 7 2.091 1.971 -0.119 0.216 0.667 0.333 CB 1.030 7 residues pruned to eliminate duplicates Z: 19 10.378 1.958 0.318 0.474 0.778 0.444 CB 1.252 19 residues pruned to eliminate duplicates Z: 7 2.815 1.588 0.121 0.309 0.667 0.667 CA 1.197 Z: 10 6.652 1.780 0.780 0.348 0.778 0.556 CB 1.060 10 residues pruned to eliminate duplicates Z: 8 3.645 1.492 0.120 0.365 0.857 0.286 C 1.111 Z: 7 5.074 1.623 0.328 0.295 0.833 0.500 C 1.450 Z: 6 7.090 1.816 0.336 0.479 1.000 0.600 CB 1.334 Z: 12 6.163 1.819 0.133 0.565 0.909 0.273 CB 0.931 10 residues pruned to eliminate duplicates Z: 6 5.324 1.776 0.426 0.807 1.000 1.000 CB 0.719 Z: 21 20.707 1.917 0.538 0.892 1.000 0.900 CA 1.128 21 residues pruned to eliminate duplicates Z: 8 4.926 1.524 0.551 0.329 0.857 0.571 C 1.108 Z: 20 27.974 2.019 0.787 0.887 1.000 0.842 CA 1.283 20 residues pruned to eliminate duplicates Z: 8 5.892 1.555 0.236 0.643 1.000 0.857 CA 1.014 8 residues pruned to eliminate duplicates Z: 6 4.876 1.736 0.053 0.658 0.800 0.800 C 1.289 Z: 46 25.364 2.167 0.496 0.384 0.867 0.511 CA 1.522 46 residues pruned to eliminate duplicates Z: 10 4.561 1.759 0.094 0.381 0.778 0.444 CB 1.153 10 residues pruned to eliminate duplicates Z: 11 4.398 1.661 0.207 0.240 0.800 0.300 N 1.172 10 residues pruned to eliminate duplicates Z: 12 9.122 1.776 0.461 0.432 0.909 0.455 CA 1.251 12 residues pruned to eliminate duplicates Z: 7 4.987 1.650 0.287 0.816 0.833 0.667 CA 0.874 Z: 9 5.776 1.531 0.520 0.642 0.625 0.375 C 1.229 9 residues pruned to eliminate duplicates Z: 9 15.697 1.969 0.843 0.853 0.875 0.500 CA 1.291 9 residues pruned to eliminate duplicates Z: 6 5.568 1.777 0.153 0.622 0.800 0.600 CA 1.354 6 residues pruned to eliminate duplicates Z: 8 4.160 1.506 0.473 0.302 0.714 0.429 N 1.236 Z: 9 13.724 1.931 0.719 0.577 1.000 0.625 CB 1.358 9 residues pruned to eliminate duplicates Z: 12 6.469 1.677 0.292 0.447 0.818 0.455 CB 1.162 12 residues pruned to eliminate duplicates Z: 14 31.490 2.374 0.781 0.931 1.000 0.538 CB 1.443 14 residues pruned to eliminate duplicates Z: 42 19.182 1.911 0.599 0.445 0.854 0.610 CB 1.216 41 residues pruned to eliminate duplicates Z: 11 10.566 1.527 1.010 0.784 1.000 0.600 CA 0.848 Z: 6 7.206 1.801 0.216 0.628 1.000 0.400 CA 1.305 6 residues pruned to eliminate duplicates Z: 8 5.422 1.625 0.437 0.540 0.714 0.714 CA 1.181 8 residues pruned to eliminate duplicates Z: 14 4.234 1.702 0.078 0.290 0.692 0.615 N 1.170 14 residues pruned to eliminate duplicates Z: 6 3.521 1.245 0.097 0.638 1.000 0.800 C 1.013 Z: 6 4.037 1.829 0.342 0.583 0.800 0.600 CB 0.849 4 residues pruned to eliminate duplicates Z: 26 15.544 1.953 0.722 0.286 0.840 0.520 CA 1.399 25 residues pruned to eliminate duplicates Z: 19 19.499 2.222 0.776 0.313 0.889 0.500 CB 1.611 19 residues pruned to eliminate duplicates Z: 6 3.461 1.385 0.682 0.500 0.800 0.600 CA 0.830 Z: 6 3.740 1.842 0.470 0.673 0.600 0.200 CB 0.878 6 residues pruned to eliminate duplicates Z: 6 5.635 1.801 1.017 0.480 1.000 0.800 CB 0.708 Z: 6 4.076 1.427 0.413 0.527 0.800 0.400 CA 1.101 5 residues pruned to eliminate duplicates Z: 12 13.479 1.965 0.160 0.844 1.000 0.727 CB 1.326 12 residues pruned to eliminate duplicates Z: 7 4.568 1.723 0.138 0.495 0.667 0.500 CB 1.434 Z: 8 6.858 1.641 0.698 0.566 1.000 0.571 CB 0.873 Z: 14 12.888 1.787 0.483 0.461 1.000 0.692 N 1.404 14 residues pruned to eliminate duplicates Z: 12 5.494 1.794 0.333 0.303 0.636 0.455 CB 1.356 12 residues pruned to eliminate duplicates Z: 7 2.747 1.503 0.169 0.360 0.833 0.167 CB 0.891 Z: 9 3.403 1.573 0.210 0.187 0.875 0.250 CB 1.051 Z: 46 23.895 2.115 0.405 0.365 0.889 0.467 CB 1.560 46 residues pruned to eliminate duplicates Z: 9 6.483 1.908 0.326 0.500 0.875 0.875 CB 1.036 18 residues pruned to eliminate duplicates Z: 6 5.315 1.645 0.342 0.485 1.000 0.800 CA 1.094 6 residues pruned to eliminate duplicates Z: 9 11.044 1.696 0.881 0.714 0.875 0.875 CB 1.152 9 residues pruned to eliminate duplicates Z: 23 21.106 2.125 0.583 0.594 0.909 0.636 CA 1.345 23 residues pruned to eliminate duplicates Z: 17 9.707 1.709 0.580 0.310 0.812 0.375 CB 1.366 17 residues pruned to eliminate duplicates 6 0.896 1.375 -0.031 0.290 0.800 0.400 CB 0.476 ? Z: 13 10.232 1.824 0.316 0.555 0.917 0.750 CA 1.272 15 residues pruned to eliminate duplicates Z: 6 4.372 1.623 0.612 0.521 0.800 0.600 CA 0.915 6 1.207 1.253 0.002 0.344 0.600 0.400 CB 0.849 ? Z: 20 15.237 1.876 0.475 0.576 0.895 0.632 CA 1.313 31 residues pruned to eliminate duplicates Z: 11 4.315 1.651 -0.119 0.573 0.800 0.500 CB 1.093 7 residues pruned to eliminate duplicates 7 1.920 1.545 0.504 0.427 0.667 0.500 CB 0.546 ? 6 1.875 1.652 0.086 0.291 0.600 0.400 CB 0.984 ? Z: 14 6.577 1.689 0.525 0.213 0.769 0.615 CB 1.291 11 residues pruned to eliminate duplicates Z: 7 2.450 1.159 0.528 0.413 0.833 0.500 CB 0.743 Z: 6 2.512 1.514 0.567 0.441 0.800 0.800 CB 0.629 Z: 9 7.905 1.792 0.304 0.596 0.875 0.750 CA 1.248 9 residues pruned to eliminate duplicates Z: 42 39.405 2.239 0.698 0.602 0.951 0.561 CB 1.544 42 residues pruned to eliminate duplicates Z: 25 20.558 2.281 0.437 0.369 0.917 0.417 CB 1.606 25 residues pruned to eliminate duplicates Z: 7 4.888 1.766 0.387 0.267 0.833 0.667 CB 1.274 7 residues pruned to eliminate duplicates Z: 6 2.121 1.323 -0.226 0.473 1.000 0.400 N 0.951 Z: 10 10.349 1.967 0.482 0.573 0.778 0.667 CB 1.419 10 residues pruned to eliminate duplicates Z: 29 23.940 2.133 0.593 0.434 0.929 0.464 CB 1.535 29 residues pruned to eliminate duplicates Z: 21 39.594 2.123 0.883 0.941 1.000 0.450 CB 1.537 21 residues pruned to eliminate duplicates Z: 10 3.816 1.637 0.507 0.282 0.667 0.222 CB 0.989 Z: 7 2.498 1.722 0.124 0.497 0.833 0.833 CB 0.634 Z: 6 3.213 1.542 0.313 0.345 1.000 0.600 CB 0.839 6 residues pruned to eliminate duplicates Z: 6 4.040 1.320 0.711 0.405 0.800 0.600 N 1.106 Z: 11 4.479 1.665 0.585 0.147 0.800 0.400 CB 1.037 Z: 6 3.082 1.287 0.738 0.294 0.800 0.400 N 0.970 Z: 31 21.163 2.166 0.495 0.325 0.867 0.400 CA 1.670 31 residues pruned to eliminate duplicates Z: 7 2.782 1.742 0.192 0.413 0.500 0.500 CA 1.199 Z: 7 3.628 1.507 0.872 0.243 0.833 0.500 CA 0.848 Z: 22 11.685 1.932 0.461 0.433 0.810 0.476 CB 1.196 22 residues pruned to eliminate duplicates Z: 11 7.948 1.853 0.220 0.499 0.900 0.800 CB 1.236 11 residues pruned to eliminate duplicates Z: 25 21.130 2.176 0.442 0.381 0.958 0.500 CB 1.628 25 residues pruned to eliminate duplicates Z: 8 4.525 1.672 0.820 0.604 0.714 0.714 CB 0.713 8 residues pruned to eliminate duplicates Z: 51 22.398 2.099 0.477 0.334 0.840 0.460 CB 1.458 51 residues pruned to eliminate duplicates Z: 10 6.051 1.439 0.448 0.496 0.889 0.556 N 1.093 10 residues pruned to eliminate duplicates Z: 21 31.398 2.049 0.835 0.925 0.900 0.400 CB 1.456 21 residues pruned to eliminate duplicates Z: 23 8.893 1.804 0.532 0.416 0.727 0.636 CB 1.030 40 residues pruned to eliminate duplicates Z: 29 43.221 2.253 0.896 0.738 0.929 0.500 CA 1.664 29 residues pruned to eliminate duplicates Z: 9 2.887 1.452 -0.001 0.431 0.750 0.500 CB 1.008 Z: 7 4.797 1.695 -0.062 0.661 1.000 0.667 CA 1.061 7 residues pruned to eliminate duplicates Z: 10 5.735 1.583 0.656 0.484 0.778 0.778 CA 0.953 10 residues pruned to eliminate duplicates 6 1.454 1.255 0.463 0.480 0.800 0.400 CB 0.451 ? Z: 48 23.216 2.057 0.442 0.353 0.894 0.553 CA 1.498 48 residues pruned to eliminate duplicates Z: 7 3.105 1.411 0.532 0.333 0.667 0.500 N 1.056 Z: 54 25.178 2.178 0.504 0.337 0.811 0.491 CB 1.556 54 residues pruned to eliminate duplicates Z: 28 47.184 2.267 0.835 0.764 1.000 0.481 CB 1.727 28 residues pruned to eliminate duplicates Z: 17 9.940 1.784 0.529 0.303 0.938 0.625 CB 1.210 17 residues pruned to eliminate duplicates Z: 20 41.197 2.076 1.096 0.946 1.000 0.421 CA 1.501 32 residues pruned to eliminate duplicates 7 1.985 1.489 0.361 0.245 0.667 0.333 N 0.805 ? Z: 22 8.294 1.644 0.672 0.303 0.810 0.571 CB 1.013 14 residues pruned to eliminate duplicates Z: 6 2.803 1.487 0.433 0.323 0.800 0.400 CB 0.893 Z: 14 5.410 1.473 0.541 0.441 0.769 0.462 CB 0.914 12 residues pruned to eliminate duplicates Z: 6 2.800 1.124 0.245 0.597 1.000 0.800 N 0.815 Z: 10 9.065 1.955 0.135 0.582 0.889 0.778 CB 1.415 10 residues pruned to eliminate duplicates 6 1.570 1.419 0.168 0.522 0.800 0.600 CB 0.518 ? Z: 10 4.173 1.570 0.564 0.347 0.667 0.333 CB 1.003 10 residues pruned to eliminate duplicates Z: 15 11.147 2.014 0.234 0.453 0.857 0.500 CB 1.468 15 residues pruned to eliminate duplicates Z: 12 6.478 1.938 0.306 0.360 0.727 0.364 CA 1.234 12 residues pruned to eliminate duplicates Z: 15 7.018 1.943 0.134 0.327 0.714 0.500 CB 1.441 15 residues pruned to eliminate duplicates Z: 7 3.188 1.648 0.286 0.408 0.833 0.667 CB 0.811 7 residues pruned to eliminate duplicates Z: 8 6.785 1.960 0.137 0.238 1.000 0.571 CA 1.559 8 residues pruned to eliminate duplicates Z: 14 15.732 1.983 0.706 0.622 0.846 0.846 CB 1.358 14 residues pruned to eliminate duplicates Z: 7 6.708 1.859 0.308 0.270 1.000 0.500 CB 1.463 7 residues pruned to eliminate duplicates Z: 7 3.797 1.424 0.324 0.591 1.000 0.667 CB 0.754 7 residues pruned to eliminate duplicates Z: 9 4.333 1.707 0.310 0.496 0.750 0.500 CB 0.917 Z: 7 8.077 1.628 0.558 0.661 0.833 0.833 CA 1.344 7 residues pruned to eliminate duplicates Z: 8 10.152 1.759 0.631 0.578 0.857 0.571 CB 1.447 Z: 9 7.069 1.716 0.235 0.362 1.000 0.625 N 1.368 9 residues pruned to eliminate duplicates Z: 40 36.411 2.125 0.734 0.606 0.949 0.821 CA 1.508 40 residues pruned to eliminate duplicates Z: 9 10.984 1.769 0.540 0.548 0.875 0.625 C 1.554 9 residues pruned to eliminate duplicates Z: 11 9.696 1.818 0.327 0.443 1.000 0.600 CB 1.347 10 residues pruned to eliminate duplicates Z: 6 6.267 1.716 0.607 0.590 0.800 0.600 CB 1.165 6 residues pruned to eliminate duplicates Z: 44 42.375 2.155 0.739 0.704 0.977 0.651 CB 1.466 44 residues pruned to eliminate duplicates Z: 52 26.223 2.161 0.472 0.367 0.863 0.490 CB 1.544 52 residues pruned to eliminate duplicates Z: 13 12.552 1.864 0.690 0.348 1.000 0.333 CA 1.356 13 residues pruned to eliminate duplicates Z: 12 18.335 1.949 0.831 0.923 1.000 0.455 CB 1.089 12 residues pruned to eliminate duplicates Z: 6 2.300 1.332 0.503 0.652 0.800 0.800 CB 0.558 Z: 7 6.912 1.576 0.345 0.497 1.000 0.667 N 1.335 Z: 8 2.873 1.587 0.429 0.544 0.857 0.286 CB 0.535 Z: 7 2.812 1.492 0.148 0.345 0.667 0.333 C 1.189 Z: 7 3.146 1.547 0.237 0.332 0.833 0.667 CB 0.968 Z: 8 6.199 1.752 0.445 0.326 0.857 0.286 N 1.306 8 residues pruned to eliminate duplicates Z: 7 11.538 1.776 0.863 0.693 1.000 0.333 CA 1.193 7 residues pruned to eliminate duplicates Z: 7 4.346 1.622 0.794 0.300 0.667 0.500 CB 1.143 Z: 7 3.075 1.343 0.000 0.570 1.000 0.500 CB 0.873 Z: 10 5.323 1.735 0.754 0.251 0.667 0.333 CA 1.165 10 residues pruned to eliminate duplicates Z: 27 28.833 2.127 0.573 0.720 0.923 0.615 CA 1.501 27 residues pruned to eliminate duplicates Z: 8 6.876 1.690 0.897 0.589 0.714 0.286 CB 1.042 8 residues pruned to eliminate duplicates Z: 8 4.506 1.366 0.254 0.609 1.000 0.571 CA 0.897 Z: 6 3.290 1.410 0.101 0.330 1.000 0.600 CB 1.142 Z: 21 10.258 1.905 0.379 0.362 0.800 0.450 CB 1.266 21 residues pruned to eliminate duplicates Z: 7 2.586 1.351 0.449 0.262 0.667 0.500 C 1.063 Z: 8 9.337 2.002 0.126 0.542 0.857 0.714 O 1.752 14 residues pruned to eliminate duplicates Z: 16 30.431 2.054 0.936 0.894 0.933 0.600 CB 1.519 16 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 3.725 1.630 0.335 0.143 0.857 0.429 CA 1.173 6 residues pruned to eliminate duplicates Z: 6 3.426 1.700 0.087 0.390 0.800 0.600 O 1.165 6 residues pruned to eliminate duplicates Z: 12 14.670 1.943 0.644 0.441 0.909 0.727 CB 1.618 12 residues pruned to eliminate duplicates Z: 19 10.219 1.724 0.743 0.337 0.722 0.556 CB 1.327 20 residues pruned to eliminate duplicates Z: 7 2.853 1.336 0.514 0.153 0.833 0.333 N 1.059 7 residues pruned to eliminate duplicates Z: 14 14.864 1.891 0.569 0.386 0.923 0.692 CB 1.698 14 residues pruned to eliminate duplicates Z: 11 13.366 1.847 0.990 0.581 0.800 0.500 CB 1.330 11 residues pruned to eliminate duplicates Z: 8 17.501 1.999 0.960 0.687 0.857 0.714 CA 1.659 8 residues pruned to eliminate duplicates Z: 10 9.267 1.905 0.123 0.470 1.000 0.556 CA 1.488 11 residues pruned to eliminate duplicates Z: 6 3.216 1.671 0.060 0.261 0.800 0.800 N 1.335 6 residues pruned to eliminate duplicates Z: 11 13.484 1.912 0.541 0.525 1.000 0.800 CA 1.412 9 residues pruned to eliminate duplicates Z: 6 5.352 1.715 0.518 0.281 0.800 0.400 CB 1.472 6 residues pruned to eliminate duplicates Z: 51 30.984 2.037 0.653 0.523 0.880 0.620 CA 1.445 51 residues pruned to eliminate duplicates Z: 9 10.451 1.863 0.559 0.489 1.000 0.375 CA 1.285 9 residues pruned to eliminate duplicates Z: 15 7.711 1.639 0.660 0.322 0.857 0.357 CB 1.075 14 residues pruned to eliminate duplicates Z: 7 4.365 1.475 0.221 0.388 1.000 0.333 O 1.114 5 residues pruned to eliminate duplicates Z: 7 7.501 1.795 0.232 0.801 1.000 0.667 CA 1.064 7 residues pruned to eliminate duplicates Z: 13 11.883 1.896 0.362 0.479 0.917 0.833 CA 1.480 13 residues pruned to eliminate duplicates Z: 12 12.185 1.950 0.351 0.467 1.000 0.636 CA 1.442 12 residues pruned to eliminate duplicates Z: 11 10.148 1.909 0.308 0.598 0.900 0.600 CA 1.300 11 residues pruned to eliminate duplicates Z: 14 12.156 1.867 0.432 0.418 0.923 0.692 CA 1.489 14 residues pruned to eliminate duplicates Z: 14 13.718 1.841 0.389 0.581 0.923 0.769 CB 1.492 14 residues pruned to eliminate duplicates Z: 12 13.563 1.941 0.323 0.599 1.000 0.727 CA 1.450 12 residues pruned to eliminate duplicates Z: 9 8.133 1.874 0.189 0.499 0.875 0.875 CA 1.476 9 residues pruned to eliminate duplicates Z: 13 12.697 1.919 0.317 0.581 0.917 0.833 CA 1.463 17 residues pruned to eliminate duplicates Z: 6 2.064 1.520 0.433 0.193 0.600 0.600 CB 1.019 6 residues pruned to eliminate duplicates Z: 25 16.245 2.083 0.390 0.458 0.750 0.417 CB 1.594 25 residues pruned to eliminate duplicates Z: 24 16.746 2.085 0.504 0.411 0.783 0.478 CA 1.562 24 residues pruned to eliminate duplicates Z: 23 18.312 2.155 0.371 0.476 0.864 0.591 CB 1.567 23 residues pruned to eliminate duplicates Z: 12 11.482 1.847 0.475 0.660 1.000 0.455 CA 1.096 12 residues pruned to eliminate duplicates Z: 17 25.686 2.237 0.585 0.624 0.938 0.500 CA 1.720 17 residues pruned to eliminate duplicates Z: 11 11.498 1.763 0.534 0.839 0.800 0.600 CA 1.255 11 residues pruned to eliminate duplicates Z: 25 17.819 2.089 0.348 0.419 0.917 0.458 CA 1.534 25 residues pruned to eliminate duplicates Z: 19 18.963 2.042 0.607 0.516 0.889 0.556 CA 1.507 19 residues pruned to eliminate duplicates Z: 9 7.328 1.745 0.847 0.319 0.750 0.125 CB 1.308 6 residues pruned to eliminate duplicates Z: 9 15.828 1.896 0.797 0.771 1.000 0.250 CA 1.292 9 residues pruned to eliminate duplicates Z: 17 21.108 2.194 0.579 0.530 1.000 0.375 CA 1.478 17 residues pruned to eliminate duplicates Z: 7 2.057 1.637 -0.075 0.246 0.667 0.333 CB 1.114 7 residues pruned to eliminate duplicates Z: 7 4.760 1.805 0.333 0.209 0.833 0.167 CB 1.367 5 residues pruned to eliminate duplicates Z: 8 6.684 1.735 0.766 0.329 0.857 0.714 C 1.160 8 residues pruned to eliminate duplicates Z: 8 6.147 1.711 0.798 0.309 0.714 0.429 C 1.306 8 residues pruned to eliminate duplicates Z: 11 10.047 1.646 0.693 0.435 0.900 0.500 C 1.356 11 residues pruned to eliminate duplicates Z: 9 12.163 1.914 0.545 0.470 0.875 0.500 CB 1.714 9 residues pruned to eliminate duplicates Z: 12 12.902 1.840 0.611 0.545 0.909 0.545 CB 1.382 12 residues pruned to eliminate duplicates Z: 11 10.114 1.973 0.742 0.594 0.700 0.600 CB 1.214 11 residues pruned to eliminate duplicates Z: 13 20.675 2.046 0.868 0.684 0.917 0.667 CB 1.439 12 residues pruned to eliminate duplicates Z: 10 13.891 1.764 0.662 0.839 0.889 0.556 CB 1.326 10 residues pruned to eliminate duplicates Z: 11 18.339 2.109 0.730 0.625 0.900 0.600 CB 1.570 11 residues pruned to eliminate duplicates Z: 12 21.390 2.100 0.878 0.741 0.909 0.727 CB 1.449 13 residues pruned to eliminate duplicates Z: 10 14.266 1.747 0.777 0.799 0.889 0.444 CB 1.327 10 residues pruned to eliminate duplicates Z: 13 21.875 2.089 0.771 0.688 0.917 0.583 CB 1.568 13 residues pruned to eliminate duplicates Z: 10 10.701 1.803 0.484 0.754 0.778 0.444 CA 1.367 10 residues pruned to eliminate duplicates Z: 51 19.413 1.922 0.485 0.393 0.860 0.600 CB 1.253 51 residues pruned to eliminate duplicates Z: 22 7.556 1.565 0.481 0.307 0.857 0.476 CB 1.028 22 residues pruned to eliminate duplicates Z: 9 5.443 1.940 0.117 0.262 0.875 0.500 CB 1.333 9 residues pruned to eliminate duplicates Z: 13 10.032 1.923 0.578 0.442 0.833 0.500 CB 1.216 13 residues pruned to eliminate duplicates Z: 16 8.255 1.730 0.369 0.301 0.867 0.667 CA 1.296 16 residues pruned to eliminate duplicates Z: 11 7.336 1.737 0.256 0.274 1.000 0.800 CA 1.373 11 residues pruned to eliminate duplicates Z: 10 9.712 1.866 0.383 0.271 1.000 0.889 N 1.628 10 residues pruned to eliminate duplicates Z: 10 8.735 1.875 0.495 0.314 0.889 0.444 CA 1.434 11 residues pruned to eliminate duplicates Z: 6 5.836 1.594 0.469 0.396 1.000 0.600 CA 1.244 6 residues pruned to eliminate duplicates Z: 11 7.915 1.730 0.386 0.243 1.000 0.700 CA 1.404 11 residues pruned to eliminate duplicates Z: 10 8.690 1.774 0.538 0.341 0.889 0.667 CB 1.420 10 residues pruned to eliminate duplicates Z: 9 10.849 1.927 0.736 0.470 1.000 0.500 CA 1.182 8 residues pruned to eliminate duplicates Z: 10 8.078 1.814 0.888 0.396 0.889 0.667 CA 0.987 10 residues pruned to eliminate duplicates Z: 9 13.571 1.916 0.869 0.504 1.000 0.500 CA 1.334 9 residues pruned to eliminate duplicates Z: 12 13.906 1.978 0.769 0.425 0.818 0.636 N 1.583 12 residues pruned to eliminate duplicates Z: 19 9.764 1.850 0.703 0.314 0.778 0.500 CB 1.154 19 residues pruned to eliminate duplicates Z: 10 12.606 1.936 0.228 0.666 1.000 0.667 CA 1.516 10 residues pruned to eliminate duplicates Z: 11 7.949 1.830 0.424 0.429 0.700 0.600 CB 1.482 11 residues pruned to eliminate duplicates Z: 11 9.650 1.857 0.191 0.536 0.900 0.600 CB 1.480 11 residues pruned to eliminate duplicates Z: 13 8.601 1.888 0.351 0.468 0.833 0.667 CA 1.207 13 residues pruned to eliminate duplicates Z: 11 9.599 1.855 0.349 0.540 0.900 0.800 CA 1.296 11 residues pruned to eliminate duplicates Z: 11 8.171 1.817 0.319 0.538 0.900 0.700 CA 1.155 11 residues pruned to eliminate duplicates Z: 9 11.570 2.091 0.320 0.521 0.875 0.500 CA 1.658 9 residues pruned to eliminate duplicates Z: 14 5.091 1.717 0.262 0.416 0.769 0.692 CB 0.925 14 residues pruned to eliminate duplicates Z: 12 8.692 1.885 0.196 0.505 0.909 0.818 CB 1.273 12 residues pruned to eliminate duplicates Z: 17 8.886 1.732 0.436 0.374 0.812 0.438 CB 1.258 21 residues pruned to eliminate duplicates Z: 7 6.239 1.653 0.627 0.506 1.000 0.000 N 0.941 7 residues pruned to eliminate duplicates Z: 14 7.861 1.790 0.219 0.388 0.846 0.385 CB 1.331 14 residues pruned to eliminate duplicates Z: 9 4.540 1.730 0.288 0.184 0.750 0.000 CB 1.405 9 residues pruned to eliminate duplicates Z: 13 7.282 1.837 0.227 0.315 0.833 0.083 CA 1.373 13 residues pruned to eliminate duplicates Z: 6 5.407 1.728 0.727 0.192 1.000 0.400 CA 1.171 6 residues pruned to eliminate duplicates Z: 9 5.990 1.706 0.193 0.425 0.750 0.375 CB 1.500 9 residues pruned to eliminate duplicates Z: 9 7.381 1.788 0.504 0.333 0.875 0.250 CA 1.331 6 residues pruned to eliminate duplicates Z: 6 7.156 1.919 0.193 0.664 1.000 0.400 CA 1.201 6 residues pruned to eliminate duplicates Z: 13 5.548 1.448 0.631 0.246 0.833 0.333 N 1.092 10 residues pruned to eliminate duplicates Z: 8 9.225 1.775 0.388 0.424 1.000 0.429 CA 1.533 8 residues pruned to eliminate duplicates Z: 8 3.230 1.639 0.656 0.153 0.714 0.286 CB 0.964 8 residues pruned to eliminate duplicates Z: 14 19.138 1.944 0.840 0.786 0.923 0.769 CB 1.250 13 residues pruned to eliminate duplicates Z: 15 16.695 1.961 0.882 0.753 0.857 0.643 CB 1.125 16 residues pruned to eliminate duplicates Z: 13 15.235 2.024 0.685 0.770 0.917 0.583 CB 1.108 13 residues pruned to eliminate duplicates Z: 11 18.659 2.092 0.861 0.908 0.900 0.600 CB 1.196 11 residues pruned to eliminate duplicates Z: 12 20.259 2.063 0.759 0.908 1.000 0.545 CB 1.195 12 residues pruned to eliminate duplicates Z: 39 30.091 1.979 0.688 0.700 0.947 0.632 CB 1.285 36 residues pruned to eliminate duplicates Z: 12 18.289 1.984 0.664 0.758 0.909 0.636 CA 1.460 12 residues pruned to eliminate duplicates Z: 14 15.874 1.938 0.690 0.783 0.923 0.769 CB 1.135 14 residues pruned to eliminate duplicates Z: 13 15.265 2.057 0.730 0.752 0.917 0.583 CB 1.078 13 residues pruned to eliminate duplicates Z: 8 2.519 1.572 0.349 0.188 0.714 0.714 CB 0.913 Z: 6 2.596 1.467 0.456 0.315 1.000 0.800 CA 0.667 6 residues pruned to eliminate duplicates Z: 14 10.654 1.822 0.446 0.452 0.846 0.615 CA 1.391 14 residues pruned to eliminate duplicates Z: 6 3.367 1.502 0.433 0.325 0.800 0.400 O 1.060 6 residues pruned to eliminate duplicates Z: 14 14.729 2.024 0.476 0.477 0.846 0.615 CA 1.654 14 residues pruned to eliminate duplicates Z: 13 12.602 2.054 0.378 0.516 0.833 0.583 CA 1.518 13 residues pruned to eliminate duplicates Z: 13 9.355 1.994 0.206 0.417 0.750 0.667 CA 1.633 13 residues pruned to eliminate duplicates Z: 20 10.120 1.991 0.323 0.359 0.684 0.526 CB 1.499 20 residues pruned to eliminate duplicates Z: 14 12.852 1.999 0.296 0.476 0.846 0.615 CA 1.666 14 residues pruned to eliminate duplicates Z: 12 8.686 1.901 0.312 0.498 0.727 0.455 CA 1.448 12 residues pruned to eliminate duplicates Z: 13 15.210 1.958 0.666 0.528 0.917 0.500 CA 1.429 13 residues pruned to eliminate duplicates Z: 23 13.143 1.935 0.416 0.319 0.864 0.500 CB 1.445 23 residues pruned to eliminate duplicates Z: 15 15.285 2.009 0.461 0.414 0.857 0.500 CA 1.777 13 residues pruned to eliminate duplicates Z: 6 3.733 1.634 0.738 0.416 0.800 0.600 CA 0.802 6 residues pruned to eliminate duplicates Z: 12 17.419 2.128 0.701 0.648 0.909 0.818 CB 1.390 12 residues pruned to eliminate duplicates Z: 16 12.165 1.955 0.670 0.469 0.800 0.667 CB 1.240 16 residues pruned to eliminate duplicates Z: 12 17.326 2.210 0.708 0.655 1.000 0.909 CB 1.198 12 residues pruned to eliminate duplicates Z: 13 17.761 2.084 0.710 0.614 0.917 0.750 CB 1.409 13 residues pruned to eliminate duplicates Z: 7 7.334 1.535 0.528 0.500 1.000 0.667 CB 1.276 7 residues pruned to eliminate duplicates Z: 13 22.921 1.945 0.893 0.727 1.000 0.833 CB 1.465 14 residues pruned to eliminate duplicates Z: 7 5.070 1.887 0.053 0.396 0.833 0.167 CB 1.395 7 residues pruned to eliminate duplicates Z: 33 23.127 2.201 0.472 0.424 0.844 0.406 CB 1.619 33 residues pruned to eliminate duplicates Z: 33 23.576 2.219 0.495 0.383 0.875 0.438 CB 1.625 33 residues pruned to eliminate duplicates Z: 36 16.596 2.098 0.226 0.320 0.857 0.429 CB 1.552 36 residues pruned to eliminate duplicates Z: 19 15.796 2.072 0.712 0.351 0.833 0.444 CB 1.479 19 residues pruned to eliminate duplicates Z: 16 18.078 2.045 0.900 0.363 0.867 0.333 CA 1.606 16 residues pruned to eliminate duplicates Z: 31 22.518 2.179 0.624 0.312 0.867 0.333 CB 1.651 31 residues pruned to eliminate duplicates Z: 26 26.175 2.286 0.589 0.434 0.920 0.640 CB 1.677 26 residues pruned to eliminate duplicates Z: 24 21.652 2.297 0.533 0.371 0.913 0.391 CB 1.612 24 residues pruned to eliminate duplicates Z: 32 22.031 2.240 0.553 0.330 0.903 0.387 CB 1.517 32 residues pruned to eliminate duplicates Z: 33 22.861 2.152 0.556 0.367 0.938 0.469 CB 1.485 33 residues pruned to eliminate duplicates Z: 23 23.640 2.364 0.578 0.369 0.909 0.455 CB 1.711 23 residues pruned to eliminate duplicates Z: 29 24.141 2.219 0.679 0.423 0.821 0.464 CB 1.615 29 residues pruned to eliminate duplicates Z: 34 19.802 2.183 0.444 0.362 0.818 0.364 CB 1.552 34 residues pruned to eliminate duplicates Z: 18 12.523 2.248 0.235 0.354 0.765 0.353 CA 1.674 18 residues pruned to eliminate duplicates Z: 29 19.331 2.166 0.557 0.266 0.893 0.357 CB 1.585 29 residues pruned to eliminate duplicates Z: 23 23.087 2.316 0.661 0.374 0.909 0.591 CA 1.610 23 residues pruned to eliminate duplicates Z: 32 23.467 2.244 0.544 0.359 0.871 0.484 CA 1.626 32 residues pruned to eliminate duplicates Z: 18 15.277 2.267 0.326 0.422 0.824 0.412 CA 1.623 18 residues pruned to eliminate duplicates Z: 18 16.985 2.259 0.404 0.376 0.882 0.471 CB 1.680 18 residues pruned to eliminate duplicates Z: 19 14.236 2.298 0.222 0.309 0.833 0.389 CB 1.772 19 residues pruned to eliminate duplicates Z: 18 16.449 2.247 0.590 0.319 0.824 0.353 CA 1.656 18 residues pruned to eliminate duplicates Z: 25 22.152 2.214 0.689 0.346 0.875 0.375 CB 1.633 25 residues pruned to eliminate duplicates Z: 48 25.949 2.112 0.510 0.402 0.851 0.468 CB 1.547 48 residues pruned to eliminate duplicates Z: 33 20.883 2.233 0.536 0.280 0.844 0.312 CB 1.636 33 residues pruned to eliminate duplicates Z: 62 29.058 2.185 0.479 0.329 0.869 0.426 CB 1.597 62 residues pruned to eliminate duplicates Z: 47 24.621 2.182 0.406 0.359 0.870 0.478 CB 1.585 47 residues pruned to eliminate duplicates Z: 91 45.372 2.187 0.531 0.452 0.933 0.600 CB 1.608 91 residues pruned to eliminate duplicates Z: 54 23.212 2.151 0.505 0.298 0.830 0.415 CB 1.487 54 residues pruned to eliminate duplicates Z: 73 26.665 2.096 0.469 0.343 0.833 0.500 CB 1.454 73 residues pruned to eliminate duplicates Z: 33 20.311 2.118 0.382 0.394 0.938 0.562 CB 1.463 33 residues pruned to eliminate duplicates Z: 59 31.547 2.159 0.537 0.378 0.897 0.500 CB 1.586 59 residues pruned to eliminate duplicates Z: 46 24.215 2.111 0.665 0.284 0.911 0.378 CB 1.439 46 residues pruned to eliminate duplicates Z: 28 25.524 2.205 0.517 0.432 0.963 0.593 CB 1.637 28 residues pruned to eliminate duplicates Z: 45 24.623 2.166 0.606 0.304 0.886 0.409 CB 1.498 45 residues pruned to eliminate duplicates Z: 53 28.408 2.167 0.498 0.358 0.904 0.481 CB 1.565 53 residues pruned to eliminate duplicates Z: 51 25.138 2.118 0.487 0.333 0.880 0.520 CB 1.539 51 residues pruned to eliminate duplicates Z: 47 23.860 2.171 0.431 0.301 0.891 0.500 CA 1.585 47 residues pruned to eliminate duplicates Z: 45 26.073 2.176 0.449 0.410 0.864 0.500 CB 1.586 45 residues pruned to eliminate duplicates Z: 32 19.519 2.060 0.416 0.405 0.871 0.387 CB 1.525 32 residues pruned to eliminate duplicates Z: 63 29.777 2.131 0.518 0.332 0.887 0.452 CB 1.584 63 residues pruned to eliminate duplicates Z: 47 27.998 2.197 0.506 0.363 0.870 0.565 CA 1.662 47 residues pruned to eliminate duplicates Z: 18 14.608 2.142 0.259 0.425 0.882 0.588 CB 1.610 18 residues pruned to eliminate duplicates Z: 21 7.947 1.882 0.263 0.333 0.700 0.500 CB 1.283 21 residues pruned to eliminate duplicates Z: 58 29.003 2.173 0.497 0.350 0.860 0.421 CB 1.615 58 residues pruned to eliminate duplicates Z: 60 31.720 2.150 0.557 0.350 0.915 0.475 CB 1.585 60 residues pruned to eliminate duplicates Z: 18 9.790 1.985 0.227 0.345 0.765 0.353 CB 1.509 18 residues pruned to eliminate duplicates Z: 19 12.971 2.155 0.214 0.415 0.833 0.389 CB 1.533 19 residues pruned to eliminate duplicates Z: 20 13.795 1.886 0.429 0.481 0.895 0.474 CB 1.338 20 residues pruned to eliminate duplicates Z: 40 20.335 2.064 0.482 0.389 0.795 0.538 CB 1.506 40 residues pruned to eliminate duplicates Z: 60 25.659 2.171 0.443 0.337 0.814 0.424 CB 1.567 60 residues pruned to eliminate duplicates Z: 46 26.801 2.161 0.453 0.362 0.911 0.600 CB 1.621 46 residues pruned to eliminate duplicates Z: 18 11.654 2.126 0.289 0.378 0.765 0.471 CA 1.535 18 residues pruned to eliminate duplicates Z: 13 13.959 2.236 0.286 0.422 0.833 0.583 CB 1.823 13 residues pruned to eliminate duplicates Z: 16 10.096 2.063 0.236 0.368 0.800 0.533 CA 1.472 16 residues pruned to eliminate duplicates Z: 72 36.895 2.143 0.400 0.572 0.915 0.577 CB 1.488 72 residues pruned to eliminate duplicates Z: 26 13.437 2.114 0.262 0.353 0.760 0.400 CA 1.553 26 residues pruned to eliminate duplicates Z: 58 27.378 2.186 0.447 0.320 0.860 0.474 CA 1.627 58 residues pruned to eliminate duplicates Z: 22 17.408 2.184 0.338 0.353 0.905 0.476 CB 1.685 22 residues pruned to eliminate duplicates Z: 70 28.554 2.156 0.376 0.321 0.884 0.406 CB 1.596 70 residues pruned to eliminate duplicates Z: 124 46.873 2.194 0.491 0.446 0.854 0.593 CB 1.599 124 residues pruned to eliminate duplicates Z: 65 37.339 2.203 0.408 0.577 0.875 0.625 CB 1.597 65 residues pruned to eliminate duplicates Z: 54 24.389 2.187 0.364 0.323 0.830 0.434 CB 1.643 54 residues pruned to eliminate duplicates Z: 125 48.541 2.176 0.489 0.437 0.903 0.532 CB 1.589 125 residues pruned to eliminate duplicates Z: 123 46.123 2.184 0.414 0.450 0.885 0.549 CB 1.608 123 residues pruned to eliminate duplicates Z: 67 39.586 2.190 0.407 0.561 0.909 0.576 CB 1.640 67 residues pruned to eliminate duplicates Z: 53 42.575 2.209 0.527 0.644 0.981 0.712 CB 1.561 53 residues pruned to eliminate duplicates Z: 47 37.020 2.196 0.468 0.651 0.978 0.717 CA 1.503 47 residues pruned to eliminate duplicates Z: 54 42.305 2.225 0.484 0.651 0.962 0.717 CA 1.589 54 residues pruned to eliminate duplicates Z: 54 37.775 2.140 0.560 0.592 0.925 0.698 CB 1.539 54 residues pruned to eliminate duplicates Z: 122 48.797 2.201 0.441 0.438 0.917 0.537 CB 1.626 122 residues pruned to eliminate duplicates Z: 71 37.862 2.153 0.410 0.545 0.871 0.671 CB 1.637 71 residues pruned to eliminate duplicates Z: 45 39.256 2.235 0.546 0.668 0.955 0.773 CB 1.535 45 residues pruned to eliminate duplicates Z: 46 37.320 2.177 0.495 0.673 0.956 0.711 CB 1.525 46 residues pruned to eliminate duplicates Z: 38 37.819 2.250 0.489 0.647 1.000 0.730 CB 1.619 38 residues pruned to eliminate duplicates Z: 48 33.115 2.158 0.368 0.672 0.915 0.617 CB 1.526 48 residues pruned to eliminate duplicates Z: 41 44.253 2.269 0.573 0.726 0.975 0.825 CB 1.640 41 residues pruned to eliminate duplicates Z: 54 36.858 2.155 0.625 0.520 0.925 0.547 CB 1.533 54 residues pruned to eliminate duplicates Z: 33 42.854 2.267 0.708 0.702 1.000 0.688 CB 1.627 33 residues pruned to eliminate duplicates Z: 41 40.463 2.243 0.512 0.739 0.950 0.700 CB 1.602 41 residues pruned to eliminate duplicates Z: 45 38.427 2.242 0.589 0.685 0.932 0.727 CB 1.472 45 residues pruned to eliminate duplicates Z: 45 40.179 2.230 0.597 0.691 0.977 0.614 CB 1.462 45 residues pruned to eliminate duplicates Z: 53 35.467 2.187 0.514 0.670 0.904 0.615 CB 1.405 53 residues pruned to eliminate duplicates Z: 56 37.415 2.179 0.412 0.605 0.927 0.618 CB 1.602 56 residues pruned to eliminate duplicates Z: 67 43.733 2.161 0.578 0.578 0.924 0.561 CB 1.585 67 residues pruned to eliminate duplicates Z: 54 44.630 2.223 0.547 0.658 0.981 0.679 CB 1.569 54 residues pruned to eliminate duplicates Z: 29 46.608 2.302 0.745 0.784 1.000 0.643 CB 1.708 29 residues pruned to eliminate duplicates Z: 52 42.945 2.243 0.596 0.620 0.980 0.490 CB 1.530 52 residues pruned to eliminate duplicates Z: 53 47.243 2.212 0.644 0.664 1.000 0.654 CB 1.548 53 residues pruned to eliminate duplicates Z: 80 43.779 2.175 0.482 0.555 0.911 0.544 CB 1.590 80 residues pruned to eliminate duplicates Z: 44 42.600 2.216 0.606 0.737 0.977 0.674 CB 1.511 44 residues pruned to eliminate duplicates Z: 50 38.666 2.151 0.638 0.653 0.898 0.633 CB 1.515 50 residues pruned to eliminate duplicates Z: 70 44.424 2.183 0.514 0.596 0.928 0.623 CB 1.592 70 residues pruned to eliminate duplicates Z: 50 38.957 2.169 0.618 0.632 0.959 0.673 CB 1.460 50 residues pruned to eliminate duplicates Z: 28 20.379 2.151 0.542 0.474 0.889 0.593 CB 1.365 28 residues pruned to eliminate duplicates Z: 26 19.416 2.078 0.474 0.494 0.920 0.600 CB 1.386 26 residues pruned to eliminate duplicates Z: 45 47.572 2.252 0.681 0.724 1.000 0.750 CB 1.547 45 residues pruned to eliminate duplicates Z: 52 41.861 2.213 0.722 0.610 0.922 0.451 CB 1.503 52 residues pruned to eliminate duplicates Z: 54 43.063 2.214 0.616 0.605 0.962 0.509 CB 1.555 54 residues pruned to eliminate duplicates Z: 17 12.551 2.058 0.239 0.624 0.938 0.500 CB 1.167 17 residues pruned to eliminate duplicates Z: 44 46.689 2.236 0.728 0.695 1.000 0.605 CB 1.541 44 residues pruned to eliminate duplicates Z: 26 22.135 2.081 0.595 0.500 0.960 0.560 CB 1.389 26 residues pruned to eliminate duplicates Z: 44 43.673 2.184 0.661 0.721 0.977 0.674 CB 1.539 44 residues pruned to eliminate duplicates Z: 16 15.795 2.109 0.463 0.688 0.933 0.733 CB 1.191 16 residues pruned to eliminate duplicates Z: 24 14.873 2.057 0.393 0.623 0.826 0.478 CB 1.166 24 residues pruned to eliminate duplicates Z: 22 15.595 2.064 0.395 0.551 0.857 0.524 CB 1.312 22 residues pruned to eliminate duplicates Z: 45 41.718 2.207 0.638 0.707 0.955 0.614 CB 1.510 45 residues pruned to eliminate duplicates Z: 28 19.507 2.088 0.589 0.496 0.926 0.519 CB 1.227 28 residues pruned to eliminate duplicates Z: 54 44.058 2.226 0.733 0.606 0.925 0.566 CB 1.534 54 residues pruned to eliminate duplicates Z: 13 8.775 2.030 0.452 0.252 0.833 0.250 CB 1.371 13 residues pruned to eliminate duplicates Z: 30 19.098 2.084 0.699 0.447 0.897 0.448 CB 1.180 30 residues pruned to eliminate duplicates Z: 55 37.051 2.066 0.657 0.601 0.963 0.611 CB 1.389 55 residues pruned to eliminate duplicates Z: 26 20.908 2.136 0.521 0.514 0.920 0.480 CB 1.380 26 residues pruned to eliminate duplicates Z: 12 14.631 2.148 0.671 0.296 1.000 0.364 CB 1.543 12 residues pruned to eliminate duplicates Z: 11 13.285 2.005 0.858 0.294 1.000 0.300 CA 1.420 11 residues pruned to eliminate duplicates Z: 53 47.624 2.206 0.746 0.637 0.962 0.538 CB 1.568 53 residues pruned to eliminate duplicates Z: 21 10.390 1.799 0.539 0.269 0.900 0.450 CB 1.213 21 residues pruned to eliminate duplicates Z: 55 41.289 2.189 0.684 0.618 0.944 0.648 CB 1.444 55 residues pruned to eliminate duplicates Z: 12 14.104 1.899 0.708 0.507 0.909 0.545 CA 1.433 8 residues pruned to eliminate duplicates Z: 6 2.338 1.503 0.353 0.281 0.600 0.600 O 1.097 6 residues pruned to eliminate duplicates Z: 11 6.701 1.748 0.769 0.328 0.600 0.600 CA 1.380 11 residues pruned to eliminate duplicates Z: 14 10.284 1.892 0.642 0.406 0.846 0.385 CB 1.197 14 residues pruned to eliminate duplicates Z: 15 8.597 1.776 0.562 0.301 0.786 0.429 CB 1.316 15 residues pruned to eliminate duplicates Z: 8 3.938 1.811 0.242 0.234 0.857 0.286 CB 1.051 8 residues pruned to eliminate duplicates Z: 11 4.180 1.736 0.447 0.167 0.800 0.200 CB 0.987 Z: 7 3.199 1.734 0.664 0.433 0.500 0.500 CA 0.970 Z: 7 6.528 1.653 0.380 0.533 1.000 0.667 CB 1.131 7 residues pruned to eliminate duplicates Z: 6 3.132 1.651 0.799 0.323 1.000 0.600 CB 0.573 Z: 6 3.370 1.328 0.693 0.405 0.800 0.400 C 0.926 6 residues pruned to eliminate duplicates Z: 6 4.312 1.534 0.868 0.366 0.800 0.800 C 0.971 Z: 6 5.200 1.219 1.772 0.332 0.800 0.600 CA 1.035 6 residues pruned to eliminate duplicates Z: 35 37.286 2.134 0.638 0.703 0.941 0.735 CA 1.616 35 residues pruned to eliminate duplicates Z: 42 39.320 2.226 0.638 0.605 0.927 0.732 CB 1.644 42 residues pruned to eliminate duplicates Z: 30 33.189 2.175 0.666 0.653 0.931 0.759 CA 1.585 30 residues pruned to eliminate duplicates Z: 44 36.322 2.202 0.644 0.599 0.884 0.767 CB 1.576 44 residues pruned to eliminate duplicates Z: 21 12.656 2.005 0.454 0.348 0.800 0.600 CA 1.430 21 residues pruned to eliminate duplicates Z: 43 30.981 2.170 0.571 0.556 0.881 0.667 CB 1.507 43 residues pruned to eliminate duplicates Z: 36 38.488 2.226 0.719 0.620 0.943 0.686 CB 1.611 36 residues pruned to eliminate duplicates Z: 30 31.592 2.158 0.585 0.675 0.931 0.828 CA 1.568 30 residues pruned to eliminate duplicates Z: 48 39.946 2.171 0.625 0.650 0.915 0.723 CB 1.570 48 residues pruned to eliminate duplicates Z: 47 37.662 2.202 0.603 0.618 0.913 0.739 CB 1.541 47 residues pruned to eliminate duplicates Z: 35 35.075 2.145 0.693 0.697 0.882 0.765 CA 1.568 35 residues pruned to eliminate duplicates Z: 34 36.675 2.122 0.629 0.682 0.970 0.727 CB 1.610 34 residues pruned to eliminate duplicates Z: 29 37.936 2.220 0.731 0.679 0.929 0.714 CB 1.704 29 residues pruned to eliminate duplicates Z: 48 40.533 2.162 0.693 0.638 0.915 0.681 CB 1.552 48 residues pruned to eliminate duplicates Z: 32 38.566 2.147 0.705 0.727 0.935 0.677 CB 1.649 32 residues pruned to eliminate duplicates Z: 32 39.052 2.153 0.686 0.744 0.935 0.742 CA 1.661 32 residues pruned to eliminate duplicates Z: 33 39.504 2.146 0.725 0.724 0.938 0.594 CB 1.643 33 residues pruned to eliminate duplicates Z: 36 39.089 2.144 0.800 0.667 0.914 0.714 CA 1.605 36 residues pruned to eliminate duplicates Z: 45 35.938 2.171 0.772 0.560 0.886 0.591 CB 1.499 45 residues pruned to eliminate duplicates Z: 40 34.584 2.055 0.833 0.603 0.897 0.590 CB 1.486 40 residues pruned to eliminate duplicates Z: 48 42.114 2.185 0.763 0.625 0.894 0.553 CB 1.586 48 residues pruned to eliminate duplicates Z: 31 43.973 2.201 0.861 0.735 0.933 0.500 CB 1.701 31 residues pruned to eliminate duplicates Z: 35 40.070 2.110 0.874 0.678 0.912 0.500 CB 1.619 35 residues pruned to eliminate duplicates Z: 31 41.512 2.144 0.999 0.768 0.900 0.467 CB 1.550 31 residues pruned to eliminate duplicates Z: 34 38.327 2.137 0.755 0.698 0.909 0.545 CB 1.633 34 residues pruned to eliminate duplicates Z: 9 3.838 1.730 0.052 0.223 0.750 0.250 CA 1.374 Z: 6 2.242 1.492 0.498 0.240 0.800 0.800 CA 0.758 6 residues pruned to eliminate duplicates Z: 11 8.216 1.977 0.417 0.417 0.800 0.600 CA 1.264 7 residues pruned to eliminate duplicates Z: 6 5.569 1.820 0.321 0.420 0.800 0.600 C 1.407 6 residues pruned to eliminate duplicates Z: 26 23.507 2.099 0.608 0.691 0.920 0.760 CA 1.271 26 residues pruned to eliminate duplicates Z: 33 25.772 2.051 0.436 0.699 0.969 0.719 CA 1.332 33 residues pruned to eliminate duplicates Z: 29 26.804 2.074 0.598 0.758 0.964 0.714 CA 1.260 29 residues pruned to eliminate duplicates Z: 24 24.822 2.147 0.584 0.738 1.000 0.783 CA 1.230 27 residues pruned to eliminate duplicates Z: 27 20.535 2.096 0.461 0.611 0.885 0.577 CA 1.338 24 residues pruned to eliminate duplicates Z: 17 9.910 1.966 0.426 0.324 0.812 0.500 CA 1.320 17 residues pruned to eliminate duplicates Z: 30 29.188 2.067 0.606 0.780 1.000 0.793 CA 1.275 32 residues pruned to eliminate duplicates Z: 33 26.181 1.951 0.635 0.693 0.938 0.594 CA 1.297 33 residues pruned to eliminate duplicates Z: 27 24.866 1.944 0.676 0.715 0.923 0.654 CB 1.334 27 residues pruned to eliminate duplicates Z: 28 30.981 2.084 0.758 0.791 0.963 0.667 CA 1.309 30 residues pruned to eliminate duplicates Z: 33 27.520 2.039 0.603 0.722 0.938 0.750 CA 1.299 33 residues pruned to eliminate duplicates Z: 32 31.686 2.073 0.690 0.750 0.968 0.710 CA 1.343 28 residues pruned to eliminate duplicates Z: 35 27.241 1.992 0.723 0.655 0.882 0.618 CA 1.336 35 residues pruned to eliminate duplicates Z: 33 31.254 1.990 0.827 0.702 0.938 0.719 CA 1.348 33 residues pruned to eliminate duplicates Z: 15 27.773 2.018 1.027 0.819 1.000 0.571 CB 1.376 15 residues pruned to eliminate duplicates Z: 30 29.018 2.046 0.650 0.750 1.000 0.655 CA 1.277 30 residues pruned to eliminate duplicates Z: 19 36.604 2.166 0.992 0.889 1.000 0.500 CB 1.440 19 residues pruned to eliminate duplicates Z: 16 24.730 2.005 0.849 0.836 0.933 0.667 CB 1.381 16 residues pruned to eliminate duplicates Z: 28 30.527 2.077 0.784 0.773 0.889 0.556 CA 1.402 28 residues pruned to eliminate duplicates Z: 34 27.599 2.012 0.775 0.603 0.909 0.667 CA 1.342 34 residues pruned to eliminate duplicates Z: 15 23.876 2.095 0.762 0.913 1.000 0.643 CA 1.223 15 residues pruned to eliminate duplicates Z: 32 28.588 2.055 0.652 0.676 0.903 0.484 CA 1.424 32 residues pruned to eliminate duplicates Z: 17 22.612 2.037 0.751 0.841 0.875 0.562 CB 1.350 17 residues pruned to eliminate duplicates Z: 34 22.679 1.977 0.591 0.610 0.848 0.636 CB 1.333 34 residues pruned to eliminate duplicates Z: 32 29.572 2.054 0.681 0.708 0.935 0.710 CA 1.361 32 residues pruned to eliminate duplicates Z: 22 29.066 2.271 0.639 0.613 0.905 0.810 CA 1.692 21 residues pruned to eliminate duplicates Z: 8 5.120 1.595 0.464 0.244 0.857 0.429 N 1.299 7 residues pruned to eliminate duplicates Z: 6 5.225 1.565 0.337 0.410 1.000 0.800 N 1.228 6 residues pruned to eliminate duplicates Z: 24 26.506 2.150 0.526 0.665 1.000 0.739 CB 1.446 24 residues pruned to eliminate duplicates Z: 22 31.406 2.227 0.764 0.611 0.905 0.476 CB 1.736 22 residues pruned to eliminate duplicates Z: 25 24.219 2.200 0.598 0.539 0.833 0.500 CB 1.625 25 residues pruned to eliminate duplicates Z: 22 28.989 2.268 0.634 0.651 0.952 0.476 CB 1.558 22 residues pruned to eliminate duplicates Z: 34 29.201 2.110 0.566 0.644 0.970 0.667 CB 1.386 32 residues pruned to eliminate duplicates Z: 12 27.369 2.405 0.665 0.870 0.909 0.545 CB 1.654 12 residues pruned to eliminate duplicates Z: 36 28.593 2.070 0.537 0.598 0.914 0.514 CB 1.513 36 residues pruned to eliminate duplicates Z: 31 28.518 2.200 0.527 0.605 0.867 0.567 CB 1.618 31 residues pruned to eliminate duplicates Z: 59 38.414 2.167 0.663 0.495 0.914 0.466 CB 1.539 92 residues pruned to eliminate duplicates Z: 21 32.334 2.267 0.679 0.661 0.950 0.500 CA 1.722 Z: 21 26.763 2.252 0.588 0.853 0.950 0.450 CB 1.302 13 residues pruned to eliminate duplicates Z: 13 26.695 2.359 0.680 0.896 1.000 0.333 CB 1.393 13 residues pruned to eliminate duplicates Z: 30 34.095 2.234 0.704 0.662 0.931 0.483 CB 1.538 29 residues pruned to eliminate duplicates Z: 19 28.449 2.213 0.765 0.872 0.944 0.500 CB 1.325 19 residues pruned to eliminate duplicates Z: 31 32.667 2.192 0.614 0.662 1.000 0.433 CB 1.450 31 residues pruned to eliminate duplicates Z: 19 34.380 2.301 0.702 0.916 1.000 0.500 CB 1.462 19 residues pruned to eliminate duplicates Z: 18 12.724 2.142 0.412 0.693 0.706 0.412 CB 1.212 18 residues pruned to eliminate duplicates Z: 33 23.781 2.096 0.527 0.561 0.875 0.562 CB 1.415 33 residues pruned to eliminate duplicates Z: 30 34.691 2.218 0.727 0.655 0.966 0.621 CB 1.508 30 residues pruned to eliminate duplicates Z: 57 32.276 2.160 0.553 0.466 0.875 0.411 CB 1.522 87 residues pruned to eliminate duplicates Z: 31 32.663 2.184 0.660 0.657 0.933 0.533 CB 1.524 Z: 21 30.290 2.263 0.546 0.832 1.000 0.350 CB 1.453 22 residues pruned to eliminate duplicates Z: 22 30.968 2.251 0.657 0.864 1.000 0.524 CB 1.328 22 residues pruned to eliminate duplicates Z: 35 31.723 2.216 0.671 0.584 0.824 0.412 CB 1.645 35 residues pruned to eliminate duplicates Z: 13 12.480 1.910 0.438 0.504 0.833 0.583 CA 1.568 13 residues pruned to eliminate duplicates Z: 13 12.313 1.857 0.474 0.486 0.833 0.667 N 1.580 24 residues pruned to eliminate duplicates Z: 7 7.857 1.746 0.658 0.496 0.833 0.500 O 1.335 7 residues pruned to eliminate duplicates Z: 18 10.321 1.757 0.422 0.352 0.824 0.353 CA 1.428 12 residues pruned to eliminate duplicates Z: 8 5.918 1.589 0.512 0.470 0.857 0.857 N 1.120 8 residues pruned to eliminate duplicates Z: 17 13.700 1.848 0.491 0.366 0.938 0.625 N 1.530 18 residues pruned to eliminate duplicates Z: 6 4.015 1.412 0.522 0.441 1.000 0.400 CB 0.887 6 residues pruned to eliminate duplicates Z: 9 7.277 1.910 0.282 0.380 0.750 0.625 N 1.591 9 residues pruned to eliminate duplicates Z: 9 9.474 1.943 0.295 0.562 0.750 0.500 N 1.671 9 residues pruned to eliminate duplicates Z: 6 3.873 1.449 0.287 0.392 1.000 0.600 N 1.041 6 residues pruned to eliminate duplicates Z: 7 11.088 2.165 0.051 0.585 1.000 0.667 CB 1.834 8 residues pruned to eliminate duplicates Z: 8 3.518 1.544 0.264 0.360 0.857 0.571 CB 0.924 Z: 7 5.145 1.487 0.131 0.550 1.000 0.500 C 1.189 4 residues pruned to eliminate duplicates Z: 10 3.592 1.308 0.304 0.360 0.889 0.444 CA 0.918 5 residues pruned to eliminate duplicates 562 residues left after pruning, divided into chains as follows: A: 9 B: 6 C: 12 D: 120 E: 8 F: 12 G: 10 H: 56 I: 9 J: 13 K: 25 L: 12 M: 12 N: 10 O: 6 P: 20 Q: 10 R: 29 S: 13 T: 12 U: 7 V: 6 W: 47 X: 28 Y: 17 Z: 7 Z: 6 Z: 8 Z: 32 CC for partial structure against native data = 20.59 % ------------------------------------------------------------------------------ Global autotracing cycle 5 = 0.300, Contrast = 0.405, Connect. = 0.680 for dens.mod. cycle 1 = 0.300, Contrast = 0.470, Connect. = 0.704 for dens.mod. cycle 2 = 0.300, Contrast = 0.547, Connect. = 0.740 for dens.mod. cycle 3 = 0.300, Contrast = 0.556, Connect. = 0.745 for dens.mod. cycle 4 = 0.300, Contrast = 0.564, Connect. = 0.750 for dens.mod. cycle 5 = 0.300, Contrast = 0.569, Connect. = 0.753 for dens.mod. cycle 6 = 0.300, Contrast = 0.574, Connect. = 0.756 for dens.mod. cycle 7 = 0.300, Contrast = 0.576, Connect. = 0.758 for dens.mod. cycle 8 = 0.300, Contrast = 0.578, Connect. = 0.760 for dens.mod. cycle 9 = 0.300, Contrast = 0.579, Connect. = 0.761 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6662 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1193 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 19.898 2.018 0.717 0.642 1.000 0.769 CB 1.395 B: 14 20.421 2.036 0.763 0.654 1.000 0.769 CB 1.367 14 residues pruned to eliminate duplicates C: 14 13.744 1.921 0.540 0.660 0.923 0.769 CB 1.203 14 residues pruned to eliminate duplicates D: 16 9.509 1.599 0.808 0.415 0.933 0.600 CB 0.994 E: 13 20.614 2.254 0.390 0.919 1.000 0.750 CB 1.339 F: 20 35.504 2.337 0.543 0.930 1.000 0.632 CB 1.580 G: 28 26.101 2.187 0.731 0.389 0.926 0.407 CB 1.611 H: 26 24.754 2.175 0.500 0.564 0.960 0.440 CB 1.485 I: 23 26.999 1.971 0.385 0.898 1.000 0.864 CA 1.509 J: 13 13.975 1.921 0.335 0.538 1.000 0.667 CB 1.515 K: 20 30.218 2.325 0.355 0.911 0.947 0.579 CB 1.646 20 residues pruned to eliminate duplicates L: 20 32.276 2.281 0.658 0.920 0.895 0.789 CB 1.542 20 residues pruned to eliminate duplicates M: 18 26.599 2.266 0.455 0.867 0.941 0.824 CB 1.521 18 residues pruned to eliminate duplicates N: 21 30.287 2.207 0.486 0.894 1.000 0.850 CB 1.482 21 residues pruned to eliminate duplicates O: 18 34.880 2.182 0.902 0.933 1.000 0.824 CA 1.422 P: 11 10.802 1.994 0.472 0.578 0.900 0.800 CB 1.200 Q: 16 20.324 2.053 0.698 0.830 0.800 0.400 CB 1.415 7 residues pruned to eliminate duplicates R: 17 8.706 2.022 0.214 0.363 0.688 0.500 CB 1.494 S: 20 39.892 2.270 0.858 0.931 1.000 0.684 CB 1.516 20 residues pruned to eliminate duplicates T: 20 32.439 2.292 0.518 0.924 0.947 0.947 CB 1.586 20 residues pruned to eliminate duplicates U: 20 12.400 1.880 0.383 0.361 0.947 0.421 CB 1.341 12 residues pruned to eliminate duplicates V: 10 13.445 2.220 0.269 0.807 0.889 0.667 CB 1.369 10 residues pruned to eliminate duplicates W: 21 25.785 2.154 0.357 0.892 1.000 0.700 CB 1.417 21 residues pruned to eliminate duplicates X: 20 24.616 2.056 0.526 0.910 1.000 0.737 CA 1.277 20 residues pruned to eliminate duplicates Y: 20 28.782 2.106 0.785 0.911 0.947 0.632 CA 1.314 18 residues pruned to eliminate duplicates Z: 11 11.116 1.931 0.342 0.632 0.900 0.900 CA 1.332 Z: 13 28.078 2.211 0.711 0.806 1.000 0.583 CB 1.640 13 residues pruned to eliminate duplicates Z: 12 14.019 2.114 0.379 0.606 0.818 0.727 CA 1.603 12 residues pruned to eliminate duplicates Z: 14 11.596 1.925 0.567 0.462 0.769 0.615 N 1.440 Z: 9 10.582 1.929 0.649 0.536 0.875 0.500 CA 1.298 Z: 18 30.416 2.191 0.443 0.910 0.941 0.647 CB 1.759 19 residues pruned to eliminate duplicates Z: 12 13.089 1.999 0.195 0.841 1.000 0.727 CB 1.231 12 residues pruned to eliminate duplicates Z: 10 9.833 2.031 0.273 0.531 0.778 0.667 CA 1.581 10 residues pruned to eliminate duplicates Z: 16 16.340 2.164 0.509 0.430 0.933 0.400 CB 1.489 17 residues pruned to eliminate duplicates Z: 27 23.822 2.118 0.488 0.519 0.962 0.615 CA 1.512 20 residues pruned to eliminate duplicates Z: 20 24.937 2.196 0.344 0.865 0.947 0.789 CB 1.499 20 residues pruned to eliminate duplicates Z: 9 9.630 2.037 0.807 0.466 0.750 0.625 CA 1.276 9 residues pruned to eliminate duplicates Z: 21 33.380 2.043 0.524 0.916 1.000 0.800 CA 1.693 22 residues pruned to eliminate duplicates Z: 11 12.962 1.891 0.930 0.554 1.000 0.800 CB 1.065 Z: 7 3.707 1.859 -0.094 0.447 0.667 0.667 CA 1.423 Z: 20 29.495 2.090 0.423 0.905 1.000 0.789 CA 1.619 20 residues pruned to eliminate duplicates Z: 21 34.066 2.150 0.510 0.923 0.950 0.800 CA 1.735 20 residues pruned to eliminate duplicates Z: 21 28.303 2.012 0.761 0.919 0.950 0.600 CA 1.325 21 residues pruned to eliminate duplicates Z: 11 19.431 2.350 0.416 0.863 0.900 0.600 CB 1.506 11 residues pruned to eliminate duplicates Z: 21 38.849 2.126 0.736 0.926 0.950 0.700 CA 1.738 21 residues pruned to eliminate duplicates Z: 18 25.247 2.312 0.477 0.871 0.882 0.706 CB 1.482 18 residues pruned to eliminate duplicates Z: 22 18.099 1.946 0.574 0.577 0.905 0.619 CB 1.322 Z: 11 14.951 1.920 0.471 0.702 0.900 0.900 CB 1.548 12 residues pruned to eliminate duplicates Z: 12 6.003 2.001 0.062 0.384 0.636 0.545 CA 1.513 12 residues pruned to eliminate duplicates Z: 21 31.862 2.091 0.438 0.902 0.950 0.800 CA 1.779 21 residues pruned to eliminate duplicates Z: 58 35.861 2.048 0.624 0.537 0.930 0.684 CA 1.482 21 residues pruned to eliminate duplicates Z: 20 39.826 2.348 0.717 0.928 1.000 0.632 CB 1.587 20 residues pruned to eliminate duplicates Z: 12 14.292 1.864 0.555 0.811 0.909 0.909 CA 1.247 Z: 44 24.837 2.215 0.426 0.346 0.860 0.535 CA 1.647 18 residues pruned to eliminate duplicates Z: 106 52.687 2.215 0.557 0.471 0.924 0.524 CB 1.662 88 residues pruned to eliminate duplicates Z: 12 14.839 1.907 0.396 0.596 1.000 0.818 N 1.533 14 residues pruned to eliminate duplicates Z: 8 13.064 2.062 0.238 0.850 1.000 0.429 CB 1.433 Z: 15 14.764 1.990 0.514 0.573 0.929 0.786 CB 1.314 15 residues pruned to eliminate duplicates Z: 7 8.614 1.807 0.471 0.667 1.000 0.667 CB 1.133 7 residues pruned to eliminate duplicates Z: 21 39.226 2.181 0.613 0.930 1.000 0.750 CB 1.745 21 residues pruned to eliminate duplicates Z: 24 26.099 2.292 0.760 0.396 0.913 0.652 CB 1.650 24 residues pruned to eliminate duplicates Z: 10 21.936 2.078 0.651 0.891 1.000 0.889 CB 1.531 11 residues pruned to eliminate duplicates Z: 20 35.607 2.316 0.609 0.931 1.000 0.526 CB 1.533 20 residues pruned to eliminate duplicates Z: 8 10.983 1.985 0.301 0.859 1.000 0.714 CA 1.183 7 residues pruned to eliminate duplicates Z: 21 8.493 1.878 0.462 0.256 0.700 0.450 CB 1.306 18 residues pruned to eliminate duplicates Z: 48 35.510 2.075 0.745 0.502 0.936 0.638 CB 1.526 48 residues pruned to eliminate duplicates Z: 12 27.118 2.375 0.594 0.907 1.000 0.727 CB 1.535 12 residues pruned to eliminate duplicates Z: 17 17.120 2.270 0.365 0.891 0.750 0.500 CB 1.324 17 residues pruned to eliminate duplicates Z: 22 28.188 2.212 0.361 0.886 0.952 0.714 CA 1.548 22 residues pruned to eliminate duplicates Z: 20 35.009 2.311 0.663 0.933 0.947 0.579 CB 1.539 20 residues pruned to eliminate duplicates Z: 15 9.453 1.802 0.202 0.412 1.000 0.571 CA 1.279 Z: 20 36.486 2.262 0.939 0.943 0.895 0.421 CB 1.478 20 residues pruned to eliminate duplicates Z: 11 23.706 2.381 0.590 0.898 1.000 0.800 CB 1.416 11 residues pruned to eliminate duplicates Z: 12 12.150 2.037 0.486 0.413 0.818 0.636 N 1.619 11 residues pruned to eliminate duplicates Z: 13 9.895 2.103 0.326 0.450 0.750 0.667 CB 1.438 13 residues pruned to eliminate duplicates Z: 17 9.563 2.040 0.144 0.393 0.750 0.438 CB 1.529 17 residues pruned to eliminate duplicates Z: 55 39.495 2.074 0.653 0.575 0.963 0.722 CA 1.515 58 residues pruned to eliminate duplicates Z: 15 24.714 2.276 0.332 0.912 1.000 1.000 CB 1.542 15 residues pruned to eliminate duplicates Z: 27 22.392 2.162 0.466 0.542 0.923 0.577 CB 1.441 27 residues pruned to eliminate duplicates Z: 14 8.988 1.844 0.213 0.447 0.923 0.769 CA 1.274 15 residues pruned to eliminate duplicates Z: 10 9.615 1.815 0.461 0.493 0.889 0.556 CB 1.369 9 residues pruned to eliminate duplicates Z: 11 6.508 1.863 0.323 0.490 0.800 0.700 CB 1.054 Z: 22 35.627 2.074 0.582 0.933 1.000 0.714 CB 1.654 22 residues pruned to eliminate duplicates Z: 11 18.514 2.134 0.912 0.724 1.000 0.700 CB 1.173 16 residues pruned to eliminate duplicates Z: 12 11.181 1.887 0.218 0.600 1.000 0.818 CA 1.333 10 residues pruned to eliminate duplicates Z: 47 37.217 2.089 0.619 0.609 0.978 0.717 CB 1.495 47 residues pruned to eliminate duplicates Z: 44 28.552 2.072 0.478 0.553 0.930 0.744 CA 1.451 44 residues pruned to eliminate duplicates Z: 21 30.929 2.102 0.414 0.929 1.000 0.900 CA 1.629 21 residues pruned to eliminate duplicates Z: 21 19.142 2.205 0.078 0.837 0.950 0.700 CB 1.418 21 residues pruned to eliminate duplicates Z: 6 6.094 1.939 -0.084 0.684 1.000 0.600 CA 1.296 Z: 25 29.505 2.254 0.516 0.647 0.958 0.708 CA 1.604 25 residues pruned to eliminate duplicates Z: 9 15.847 2.059 0.895 0.702 0.875 0.875 CB 1.365 Z: 22 39.776 2.077 0.830 0.897 1.000 0.714 CB 1.635 22 residues pruned to eliminate duplicates Z: 30 20.874 1.964 0.389 0.720 0.931 0.690 CA 1.250 29 residues pruned to eliminate duplicates Z: 13 10.108 1.802 0.558 0.368 0.917 0.500 CB 1.306 11 residues pruned to eliminate duplicates Z: 13 11.646 2.206 0.405 0.383 0.833 0.333 CB 1.474 13 residues pruned to eliminate duplicates Z: 21 20.612 2.099 0.168 0.905 1.000 0.950 CB 1.338 21 residues pruned to eliminate duplicates Z: 10 11.841 1.957 0.330 0.569 0.889 0.667 CA 1.596 10 residues pruned to eliminate duplicates Z: 23 26.441 1.979 0.349 0.906 1.000 0.909 CA 1.501 23 residues pruned to eliminate duplicates Z: 20 25.494 2.132 0.602 0.904 0.842 0.684 CA 1.448 20 residues pruned to eliminate duplicates Z: 6 4.906 1.732 1.457 0.442 0.800 0.600 CB 0.684 Z: 8 4.552 1.571 0.279 0.375 0.857 0.286 C 1.141 Z: 18 31.769 2.161 0.760 0.918 1.000 0.882 CA 1.429 18 residues pruned to eliminate duplicates Z: 22 34.444 2.208 0.502 0.920 1.000 0.905 CB 1.595 22 residues pruned to eliminate duplicates Z: 22 12.789 1.907 0.509 0.353 0.857 0.619 CB 1.327 26 residues pruned to eliminate duplicates Z: 7 6.823 1.561 0.434 0.749 0.833 0.833 CA 1.196 Z: 8 4.066 2.048 -0.007 0.431 0.571 0.286 CB 1.419 8 residues pruned to eliminate duplicates Z: 6 5.935 1.548 0.557 0.766 0.800 0.800 N 1.088 6 residues pruned to eliminate duplicates Z: 15 17.756 2.167 0.418 0.744 0.929 0.714 CB 1.337 15 residues pruned to eliminate duplicates Z: 28 25.134 2.161 0.665 0.477 0.926 0.481 CB 1.486 36 residues pruned to eliminate duplicates Z: 6 8.134 2.018 0.134 0.632 1.000 0.800 CB 1.403 6 residues pruned to eliminate duplicates Z: 49 21.178 2.068 0.346 0.336 0.833 0.479 CB 1.577 49 residues pruned to eliminate duplicates Z: 12 6.949 1.896 0.111 0.557 0.636 0.636 CB 1.478 12 residues pruned to eliminate duplicates Z: 18 9.752 1.931 0.524 0.342 0.824 0.353 CB 1.159 14 residues pruned to eliminate duplicates Z: 12 7.783 1.752 0.315 0.295 1.000 0.364 CB 1.281 Z: 8 12.170 1.930 0.989 0.531 0.857 0.714 CB 1.356 8 residues pruned to eliminate duplicates Z: 10 13.411 2.156 0.559 0.567 0.889 0.556 CB 1.403 10 residues pruned to eliminate duplicates Z: 22 31.402 2.212 0.650 0.924 1.000 0.619 CB 1.319 22 residues pruned to eliminate duplicates Z: 12 7.722 1.871 0.296 0.518 0.909 0.545 CB 1.038 12 residues pruned to eliminate duplicates Z: 9 8.476 1.903 0.849 0.459 0.750 0.625 CA 1.183 10 residues pruned to eliminate duplicates Z: 10 15.098 2.042 0.332 0.734 1.000 0.889 CA 1.499 12 residues pruned to eliminate duplicates Z: 18 9.708 2.032 0.078 0.341 0.765 0.529 CB 1.672 18 residues pruned to eliminate duplicates Z: 22 19.134 2.174 0.402 0.486 0.905 0.429 CB 1.536 22 residues pruned to eliminate duplicates Z: 17 6.868 1.595 0.439 0.333 0.875 0.562 CB 1.027 12 residues pruned to eliminate duplicates Z: 8 12.694 1.798 0.724 0.651 1.000 0.714 CA 1.345 Z: 18 5.833 1.579 0.428 0.245 0.706 0.294 CB 1.193 Z: 21 41.060 2.143 0.730 0.946 1.000 0.500 CB 1.713 22 residues pruned to eliminate duplicates Z: 11 13.495 1.964 0.378 0.710 0.900 0.600 CB 1.449 11 residues pruned to eliminate duplicates Z: 9 10.920 1.768 0.410 0.837 1.000 0.625 CA 1.158 9 residues pruned to eliminate duplicates Z: 17 16.047 2.100 0.564 0.441 0.875 0.625 CA 1.484 17 residues pruned to eliminate duplicates Z: 23 33.390 2.000 0.656 0.884 1.000 0.500 CA 1.554 23 residues pruned to eliminate duplicates Z: 11 13.151 1.854 0.571 0.551 0.900 0.500 CA 1.510 11 residues pruned to eliminate duplicates Z: 23 21.977 2.323 0.605 0.351 0.909 0.636 CB 1.625 23 residues pruned to eliminate duplicates Z: 19 12.512 2.121 0.276 0.431 0.722 0.389 CB 1.621 19 residues pruned to eliminate duplicates Z: 18 13.804 1.941 0.360 0.430 0.824 0.529 CB 1.656 14 residues pruned to eliminate duplicates Z: 12 8.951 2.071 0.384 0.444 0.727 0.636 CA 1.371 12 residues pruned to eliminate duplicates Z: 12 9.246 1.932 0.215 0.492 0.818 0.636 CA 1.463 Z: 13 20.279 2.118 0.334 0.902 1.000 0.917 CA 1.478 10 residues pruned to eliminate duplicates Z: 10 30.025 2.196 1.146 0.920 1.000 0.667 CB 1.496 12 residues pruned to eliminate duplicates Z: 45 33.067 2.050 0.613 0.702 0.977 0.636 CA 1.284 44 residues pruned to eliminate duplicates Z: 12 10.065 1.767 0.428 0.459 0.909 0.636 CB 1.379 Z: 19 16.056 2.018 0.593 0.537 0.889 0.556 CB 1.278 19 residues pruned to eliminate duplicates Z: 12 12.677 1.899 0.284 0.682 1.000 0.909 CA 1.326 11 residues pruned to eliminate duplicates Z: 23 16.560 2.104 0.349 0.404 0.773 0.409 CA 1.781 23 residues pruned to eliminate duplicates Z: 9 9.917 2.126 0.540 0.381 0.875 0.500 CB 1.390 9 residues pruned to eliminate duplicates Z: 12 14.986 2.119 0.378 0.633 1.000 0.455 CA 1.367 11 residues pruned to eliminate duplicates Z: 10 14.549 2.029 0.443 0.597 1.000 0.667 CB 1.510 12 residues pruned to eliminate duplicates Z: 11 12.638 2.012 0.162 0.601 1.000 0.800 CA 1.554 11 residues pruned to eliminate duplicates Z: 20 37.192 2.321 0.733 0.928 0.947 0.632 CB 1.569 20 residues pruned to eliminate duplicates Z: 15 7.211 1.705 0.218 0.307 0.929 0.500 CA 1.238 13 residues pruned to eliminate duplicates Z: 16 13.690 2.082 0.434 0.373 0.933 0.400 CB 1.453 17 residues pruned to eliminate duplicates Z: 25 12.443 1.997 0.257 0.326 0.792 0.458 CA 1.547 25 residues pruned to eliminate duplicates Z: 13 22.657 1.898 0.772 0.879 1.000 0.750 CA 1.410 12 residues pruned to eliminate duplicates Z: 11 13.337 2.032 0.426 0.641 0.900 0.900 CB 1.418 11 residues pruned to eliminate duplicates Z: 11 10.767 2.013 0.438 0.507 0.900 0.700 CB 1.298 11 residues pruned to eliminate duplicates Z: 54 31.264 2.204 0.583 0.340 0.906 0.472 CB 1.618 54 residues pruned to eliminate duplicates Z: 7 4.008 1.729 0.376 0.346 0.833 0.500 CB 0.976 7 residues pruned to eliminate duplicates Z: 18 7.797 1.838 0.281 0.376 0.647 0.353 CB 1.418 18 residues pruned to eliminate duplicates Z: 17 33.220 2.355 0.660 0.916 0.938 0.750 CB 1.600 17 residues pruned to eliminate duplicates Z: 9 4.494 1.631 0.117 0.321 0.875 0.125 CB 1.213 9 residues pruned to eliminate duplicates Z: 17 8.162 1.643 0.232 0.373 0.875 0.562 CA 1.319 17 residues pruned to eliminate duplicates Z: 20 34.091 2.309 0.441 0.899 1.000 0.842 CB 1.681 20 residues pruned to eliminate duplicates Z: 6 2.796 1.842 -0.236 0.586 0.600 0.400 C 1.363 Z: 6 3.040 1.666 -0.025 0.432 0.800 0.400 CB 1.123 Z: 6 3.696 1.727 0.569 0.663 0.800 0.800 CB 0.655 8 residues pruned to eliminate duplicates Z: 10 17.958 1.803 0.813 0.864 1.000 0.889 CA 1.342 9 residues pruned to eliminate duplicates Z: 9 10.985 1.816 0.537 0.638 1.000 0.750 CB 1.223 9 residues pruned to eliminate duplicates Z: 12 18.060 1.936 0.580 0.868 1.000 0.909 CA 1.302 12 residues pruned to eliminate duplicates Z: 56 25.955 2.183 0.499 0.307 0.818 0.473 CB 1.621 56 residues pruned to eliminate duplicates Z: 8 9.066 2.024 0.207 0.488 0.857 0.571 CB 1.656 Z: 24 27.928 2.183 0.456 0.706 0.957 0.696 CB 1.588 24 residues pruned to eliminate duplicates Z: 11 8.037 1.822 0.189 0.460 0.900 0.500 CB 1.357 11 residues pruned to eliminate duplicates Z: 21 41.833 2.139 0.856 0.925 1.000 0.800 CA 1.654 21 residues pruned to eliminate duplicates Z: 49 32.819 2.038 0.549 0.610 0.896 0.646 CB 1.510 49 residues pruned to eliminate duplicates Z: 20 40.580 2.313 0.955 0.928 0.895 0.368 CB 1.612 20 residues pruned to eliminate duplicates Z: 34 33.201 2.083 0.554 0.722 0.909 0.727 CA 1.608 34 residues pruned to eliminate duplicates Z: 30 17.409 2.134 0.437 0.366 0.793 0.552 CA 1.535 30 residues pruned to eliminate duplicates Z: 18 29.144 2.091 0.774 0.919 1.000 0.765 CA 1.342 18 residues pruned to eliminate duplicates Z: 11 13.865 1.765 0.521 0.795 1.000 0.600 CA 1.261 10 residues pruned to eliminate duplicates Z: 13 9.531 1.872 0.677 0.422 0.833 0.500 CB 1.141 10 residues pruned to eliminate duplicates Z: 13 12.874 1.889 0.439 0.542 0.833 0.667 CA 1.574 13 residues pruned to eliminate duplicates Z: 14 15.157 1.975 0.649 0.557 0.923 0.692 CB 1.323 14 residues pruned to eliminate duplicates Z: 19 25.926 1.903 0.458 0.852 1.000 0.667 CA 1.629 19 residues pruned to eliminate duplicates Z: 10 4.347 1.846 0.190 0.274 0.778 0.333 CB 1.095 10 residues pruned to eliminate duplicates Z: 11 6.613 1.751 0.348 0.408 0.900 0.500 CB 1.084 11 residues pruned to eliminate duplicates Z: 13 9.690 1.728 0.746 0.415 0.833 0.500 CB 1.216 6 residues pruned to eliminate duplicates Z: 9 4.695 1.735 0.245 0.299 0.750 0.250 CB 1.281 Z: 6 5.464 1.482 0.293 0.616 1.000 0.800 CB 1.142 Z: 13 10.097 1.988 0.235 0.562 0.833 0.333 CA 1.341 13 residues pruned to eliminate duplicates Z: 13 8.729 1.809 0.199 0.509 1.000 0.750 CB 1.151 11 residues pruned to eliminate duplicates Z: 9 6.391 1.663 0.786 0.525 1.000 0.750 CB 0.742 Z: 13 21.644 2.222 0.518 0.890 1.000 0.833 CB 1.333 13 residues pruned to eliminate duplicates Z: 55 36.995 2.060 0.575 0.566 0.944 0.630 CB 1.541 55 residues pruned to eliminate duplicates Z: 20 31.706 2.269 0.596 0.706 1.000 0.842 CB 1.666 20 residues pruned to eliminate duplicates Z: 21 29.466 2.205 0.542 0.913 0.950 0.750 CB 1.444 21 residues pruned to eliminate duplicates Z: 11 8.913 2.079 0.255 0.530 0.800 0.700 CB 1.312 11 residues pruned to eliminate duplicates Z: 33 18.784 2.013 0.568 0.422 0.875 0.562 CA 1.304 33 residues pruned to eliminate duplicates Z: 6 2.693 1.367 0.167 0.734 0.800 0.600 CB 0.765 Z: 6 2.586 1.486 0.394 0.384 0.600 0.400 N 1.052 Z: 6 5.211 1.824 -0.055 0.843 1.000 1.000 CA 1.008 8 residues pruned to eliminate duplicates Z: 14 7.087 1.729 0.210 0.435 0.846 0.462 CA 1.188 13 residues pruned to eliminate duplicates Z: 12 5.657 1.856 0.250 0.433 0.636 0.545 CA 1.238 12 residues pruned to eliminate duplicates Z: 23 21.252 2.176 0.525 0.514 0.864 0.500 CA 1.559 25 residues pruned to eliminate duplicates Z: 9 11.767 1.773 0.973 0.811 0.750 0.625 CA 1.210 9 residues pruned to eliminate duplicates Z: 21 27.654 2.038 0.255 0.894 1.000 0.850 CA 1.733 21 residues pruned to eliminate duplicates Z: 6 3.505 1.743 -0.019 0.535 0.800 0.600 CB 1.107 Z: 6 4.961 1.573 0.288 0.613 0.800 0.600 C 1.230 Z: 41 25.214 2.014 0.594 0.438 0.900 0.475 CB 1.471 48 residues pruned to eliminate duplicates Z: 48 34.214 2.098 0.548 0.631 0.915 0.723 CB 1.485 48 residues pruned to eliminate duplicates Z: 15 6.711 1.970 0.230 0.402 0.714 0.429 CB 1.150 15 residues pruned to eliminate duplicates Z: 9 9.852 1.946 0.193 0.603 1.000 0.750 CB 1.360 9 residues pruned to eliminate duplicates Z: 18 25.903 2.212 0.844 0.892 1.000 0.706 CB 1.106 18 residues pruned to eliminate duplicates Z: 11 7.883 1.885 0.139 0.340 0.900 0.700 CA 1.535 12 residues pruned to eliminate duplicates Z: 21 30.549 2.074 0.468 0.906 0.950 0.800 CA 1.679 21 residues pruned to eliminate duplicates Z: 56 29.433 2.213 0.535 0.325 0.873 0.473 CB 1.623 56 residues pruned to eliminate duplicates Z: 16 14.528 1.993 0.563 0.759 0.667 0.400 CA 1.434 16 residues pruned to eliminate duplicates Z: 9 6.078 1.683 0.397 0.377 1.000 0.500 CB 1.042 Z: 30 27.374 2.169 0.717 0.404 0.931 0.655 CB 1.622 30 residues pruned to eliminate duplicates Z: 7 2.957 1.422 0.618 0.366 0.667 0.667 CB 0.909 Z: 34 41.380 2.234 0.711 0.699 0.970 0.697 CB 1.621 34 residues pruned to eliminate duplicates Z: 15 8.165 1.751 0.557 0.417 0.786 0.714 CB 1.111 13 residues pruned to eliminate duplicates Z: 8 14.587 2.058 1.198 0.582 0.857 0.714 CB 1.314 8 residues pruned to eliminate duplicates Z: 27 20.113 2.233 0.433 0.377 0.923 0.577 CB 1.523 27 residues pruned to eliminate duplicates Z: 14 7.780 1.842 0.114 0.561 0.846 0.538 CB 1.171 14 residues pruned to eliminate duplicates Z: 63 28.730 2.183 0.484 0.311 0.855 0.435 CA 1.625 63 residues pruned to eliminate duplicates Z: 51 29.729 2.203 0.551 0.351 0.900 0.520 CB 1.605 51 residues pruned to eliminate duplicates Z: 26 15.280 2.005 0.446 0.390 0.880 0.600 CA 1.345 26 residues pruned to eliminate duplicates Z: 6 9.904 1.817 0.876 0.679 1.000 1.000 CB 1.101 Z: 6 6.374 1.562 0.568 0.809 0.800 0.400 O 1.111 5 residues pruned to eliminate duplicates Z: 64 30.668 2.130 0.542 0.323 0.889 0.492 CB 1.608 64 residues pruned to eliminate duplicates Z: 6 6.151 1.535 0.609 0.411 1.000 1.000 O 1.224 6 residues pruned to eliminate duplicates Z: 14 13.509 2.040 0.411 0.521 0.923 0.769 CB 1.381 14 residues pruned to eliminate duplicates Z: 8 5.612 2.112 0.452 0.539 0.857 0.571 CB 0.776 8 residues pruned to eliminate duplicates Z: 12 11.686 1.921 0.447 0.506 0.909 0.727 N 1.387 12 residues pruned to eliminate duplicates Z: 46 43.143 2.154 0.651 0.652 0.978 0.778 CB 1.606 46 residues pruned to eliminate duplicates Z: 9 4.378 1.468 0.173 0.379 0.875 0.375 C 1.168 Z: 12 5.438 1.899 0.241 0.363 0.818 0.455 CB 0.985 12 residues pruned to eliminate duplicates Z: 13 4.968 1.665 0.113 0.356 0.833 0.500 CB 1.086 Z: 9 6.234 1.834 0.354 0.605 0.750 0.625 CA 1.071 9 residues pruned to eliminate duplicates Z: 15 7.759 1.586 0.577 0.371 0.929 0.286 CA 1.025 15 residues pruned to eliminate duplicates Z: 14 19.703 1.972 0.632 0.864 0.923 0.462 CB 1.349 14 residues pruned to eliminate duplicates Z: 8 8.521 1.633 0.302 0.663 1.000 0.429 CB 1.302 8 residues pruned to eliminate duplicates Z: 11 11.712 1.997 0.534 0.348 0.900 0.500 CB 1.585 11 residues pruned to eliminate duplicates Z: 21 24.957 2.208 0.505 0.661 0.900 0.750 CA 1.608 21 residues pruned to eliminate duplicates Z: 12 15.829 1.995 0.426 0.842 1.000 0.727 CB 1.250 12 residues pruned to eliminate duplicates Z: 7 9.950 1.843 0.449 0.570 1.000 1.000 CA 1.422 7 residues pruned to eliminate duplicates Z: 17 8.696 1.857 0.402 0.315 0.812 0.500 CB 1.261 11 residues pruned to eliminate duplicates Z: 18 37.589 2.160 1.019 0.932 1.000 0.412 CA 1.461 18 residues pruned to eliminate duplicates Z: 7 2.886 1.651 0.428 0.445 0.667 0.667 CB 0.793 7 residues pruned to eliminate duplicates Z: 10 7.607 1.838 0.034 0.419 1.000 0.444 CB 1.452 10 residues pruned to eliminate duplicates Z: 17 10.608 1.854 0.513 0.438 0.875 0.562 CB 1.153 17 residues pruned to eliminate duplicates Z: 14 6.373 1.724 0.490 0.344 0.769 0.385 CB 1.061 15 residues pruned to eliminate duplicates Z: 19 10.281 1.742 0.446 0.376 0.778 0.667 CA 1.412 19 residues pruned to eliminate duplicates Z: 9 13.336 1.820 0.931 0.898 0.875 0.625 CA 1.097 11 residues pruned to eliminate duplicates Z: 9 14.331 1.902 0.888 0.837 1.000 0.500 CA 1.055 9 residues pruned to eliminate duplicates Z: 13 5.762 2.036 0.490 0.260 0.583 0.417 CB 1.237 13 residues pruned to eliminate duplicates Z: 7 3.294 1.566 -0.159 0.588 0.833 0.500 CB 1.126 8 residues pruned to eliminate duplicates Z: 15 9.392 1.713 0.424 0.351 0.929 0.643 CB 1.303 15 residues pruned to eliminate duplicates 6 1.897 1.338 -0.058 0.299 0.800 0.400 CB 1.053 ? Z: 11 9.564 1.893 0.202 0.516 0.900 0.700 N 1.453 10 residues pruned to eliminate duplicates Z: 11 13.456 1.914 0.735 0.484 1.000 0.700 CA 1.302 17 residues pruned to eliminate duplicates Z: 17 25.768 2.261 0.438 0.854 1.000 0.812 CB 1.463 17 residues pruned to eliminate duplicates Z: 16 3.871 1.400 0.387 0.255 0.800 0.600 CA 0.853 16 residues pruned to eliminate duplicates Z: 18 26.575 2.020 0.871 0.913 0.941 0.588 CA 1.282 18 residues pruned to eliminate duplicates Z: 8 13.809 1.985 0.772 0.611 1.000 0.857 CB 1.335 8 residues pruned to eliminate duplicates Z: 10 11.906 1.950 0.360 0.584 1.000 0.667 N 1.381 10 residues pruned to eliminate duplicates Z: 54 25.653 2.220 0.394 0.282 0.925 0.415 CB 1.576 54 residues pruned to eliminate duplicates Z: 25 15.467 1.848 0.621 0.356 0.917 0.542 CA 1.342 24 residues pruned to eliminate duplicates Z: 6 6.287 1.888 0.114 0.678 0.800 0.600 CA 1.418 4 residues pruned to eliminate duplicates Z: 6 9.053 1.572 1.104 0.754 0.800 0.600 CB 1.219 6 residues pruned to eliminate duplicates Z: 6 2.802 1.640 0.324 0.300 0.800 0.400 CA 0.902 Z: 8 2.129 1.290 0.336 0.275 0.857 0.571 CB 0.703 Z: 10 12.104 2.009 0.364 0.674 1.000 0.556 CA 1.254 10 residues pruned to eliminate duplicates Z: 17 12.235 2.098 0.601 0.226 0.875 0.312 CB 1.433 17 residues pruned to eliminate duplicates Z: 23 20.837 2.145 0.542 0.542 0.864 0.364 CA 1.492 22 residues pruned to eliminate duplicates Z: 13 11.240 1.909 0.176 0.541 1.000 0.750 CA 1.389 13 residues pruned to eliminate duplicates Z: 21 35.976 2.097 0.775 0.897 0.950 0.400 CB 1.628 21 residues pruned to eliminate duplicates Z: 30 31.348 2.072 0.386 0.780 0.966 0.793 CA 1.640 30 residues pruned to eliminate duplicates Z: 14 7.922 1.969 0.175 0.461 0.769 0.538 CB 1.285 14 residues pruned to eliminate duplicates Z: 8 4.291 1.636 -0.063 0.593 0.714 0.571 CA 1.355 Z: 57 40.156 2.076 0.711 0.547 0.893 0.679 CA 1.616 58 residues pruned to eliminate duplicates 7 1.934 1.319 0.511 0.248 0.667 0.667 N 0.795 ? Z: 8 3.198 1.689 0.787 0.213 0.571 0.429 CB 0.983 8 residues pruned to eliminate duplicates Z: 6 2.341 1.668 0.013 0.298 0.600 0.400 CB 1.294 Z: 15 18.656 2.037 0.794 0.778 0.786 0.571 CB 1.358 15 residues pruned to eliminate duplicates Z: 11 6.875 1.918 0.319 0.551 0.800 0.600 CB 1.021 11 residues pruned to eliminate duplicates Z: 10 2.471 1.410 0.498 0.126 0.667 0.333 CB 0.933 Z: 6 2.163 1.781 -0.356 0.513 0.600 0.600 N 1.387 4 residues pruned to eliminate duplicates Z: 9 5.629 1.413 0.519 0.386 0.875 0.625 CA 1.197 Z: 10 13.485 1.972 0.337 0.661 1.000 0.778 CA 1.468 10 residues pruned to eliminate duplicates Z: 58 30.762 1.991 0.538 0.532 0.895 0.614 CA 1.441 58 residues pruned to eliminate duplicates Z: 8 8.041 1.609 0.796 0.504 0.857 0.714 CA 1.222 6 residues pruned to eliminate duplicates Z: 6 10.503 1.876 0.387 0.807 1.000 0.400 CA 1.381 6 residues pruned to eliminate duplicates Z: 27 21.513 2.270 0.551 0.346 0.885 0.462 CB 1.602 27 residues pruned to eliminate duplicates Z: 11 8.418 1.812 0.199 0.464 1.000 0.800 N 1.272 11 residues pruned to eliminate duplicates Z: 21 14.803 1.941 0.601 0.337 0.900 0.600 CB 1.414 9 residues pruned to eliminate duplicates Z: 44 37.012 2.093 0.702 0.649 0.907 0.744 CA 1.520 44 residues pruned to eliminate duplicates Z: 22 28.360 2.034 0.528 0.874 0.905 0.381 CB 1.601 22 residues pruned to eliminate duplicates Z: 7 5.496 1.822 -0.040 0.545 0.833 0.833 CB 1.474 6 residues pruned to eliminate duplicates Z: 6 4.866 1.676 0.995 0.550 0.600 0.400 CA 1.033 Z: 7 2.665 1.439 0.284 0.784 0.667 0.500 CB 0.688 7 residues pruned to eliminate duplicates Z: 15 9.217 1.882 0.264 0.389 0.857 0.500 CA 1.359 15 residues pruned to eliminate duplicates Z: 14 8.485 1.887 0.360 0.503 0.846 0.538 CB 1.081 14 residues pruned to eliminate duplicates Z: 10 7.021 1.925 0.294 0.469 0.667 0.333 CA 1.454 Z: 12 9.317 1.865 0.503 0.461 0.727 0.636 N 1.434 12 residues pruned to eliminate duplicates Z: 14 6.539 1.798 0.292 0.418 0.769 0.538 CB 1.105 14 residues pruned to eliminate duplicates Z: 8 9.324 1.908 0.891 0.537 0.714 0.571 CA 1.319 8 residues pruned to eliminate duplicates 6 1.571 1.292 0.418 0.380 0.600 0.400 CB 0.726 ? Z: 7 4.071 1.648 0.226 0.327 0.833 0.333 CB 1.192 7 residues pruned to eliminate duplicates Z: 7 11.389 2.012 0.144 0.879 1.000 0.667 CB 1.464 7 residues pruned to eliminate duplicates Z: 33 23.295 2.252 0.610 0.296 0.875 0.438 CB 1.631 33 residues pruned to eliminate duplicates Z: 53 39.423 2.175 0.582 0.638 0.904 0.673 CB 1.545 53 residues pruned to eliminate duplicates Z: 52 36.181 2.089 0.627 0.589 0.922 0.725 CA 1.485 52 residues pruned to eliminate duplicates Z: 6 4.643 1.729 0.305 0.477 0.800 0.800 O 1.177 Z: 15 9.990 1.825 0.593 0.338 0.857 0.571 CB 1.279 15 residues pruned to eliminate duplicates 7 1.223 1.513 0.941 0.383 0.833 0.333 CB 0.231 ? Z: 8 11.086 2.134 0.233 0.667 0.857 0.571 CA 1.592 8 residues pruned to eliminate duplicates Z: 11 6.475 1.745 0.303 0.451 0.800 0.600 CB 1.183 13 residues pruned to eliminate duplicates Z: 13 5.180 1.628 0.295 0.243 0.750 0.583 N 1.274 12 residues pruned to eliminate duplicates Z: 62 32.616 2.150 0.590 0.364 0.885 0.459 CB 1.598 64 residues pruned to eliminate duplicates Z: 23 13.426 2.097 0.460 0.362 0.909 0.591 CA 1.193 23 residues pruned to eliminate duplicates Z: 21 29.743 1.946 0.577 0.835 1.000 0.900 CB 1.623 21 residues pruned to eliminate duplicates Z: 17 23.041 2.122 0.718 0.637 0.875 0.812 CA 1.589 17 residues pruned to eliminate duplicates Z: 8 8.228 2.019 0.221 0.579 0.857 0.714 CA 1.364 8 residues pruned to eliminate duplicates Z: 17 14.111 2.077 0.351 0.409 1.000 0.688 CA 1.383 17 residues pruned to eliminate duplicates Z: 14 4.836 1.634 0.369 0.377 0.846 0.769 CB 0.808 21 residues pruned to eliminate duplicates Z: 7 5.080 1.577 0.394 0.359 0.833 0.500 N 1.318 Z: 6 7.054 1.707 0.321 0.508 1.000 0.400 CB 1.388 7 residues pruned to eliminate duplicates Z: 15 16.750 2.005 0.678 0.826 0.857 0.500 CA 1.171 15 residues pruned to eliminate duplicates Z: 11 7.843 1.621 0.574 0.481 0.900 0.800 CB 1.102 8 residues pruned to eliminate duplicates Z: 13 8.605 1.801 0.551 0.389 0.750 0.500 CA 1.334 13 residues pruned to eliminate duplicates Z: 17 12.343 2.056 0.691 0.331 0.875 0.500 CB 1.220 15 residues pruned to eliminate duplicates Z: 12 13.126 2.099 0.553 0.359 1.000 0.455 CA 1.414 12 residues pruned to eliminate duplicates Z: 12 4.174 1.621 0.249 0.288 0.636 0.364 CB 1.240 12 residues pruned to eliminate duplicates Z: 6 5.541 1.560 0.323 0.714 0.800 0.600 O 1.236 Z: 12 4.625 1.917 -0.041 0.429 0.636 0.364 CA 1.283 12 residues pruned to eliminate duplicates Z: 10 5.170 1.768 0.011 0.308 0.889 0.889 CA 1.342 10 residues pruned to eliminate duplicates Z: 15 16.608 2.079 0.413 0.606 0.929 0.643 CB 1.471 15 residues pruned to eliminate duplicates Z: 6 2.210 1.715 0.111 0.422 0.600 0.400 CA 0.937 Z: 14 9.002 1.670 0.444 0.411 0.923 0.538 N 1.232 14 residues pruned to eliminate duplicates Z: 6 2.218 1.251 0.286 0.397 0.800 0.600 CB 0.859 Z: 22 35.147 2.026 0.630 0.906 1.000 0.667 CA 1.651 22 residues pruned to eliminate duplicates Z: 21 27.892 2.122 0.743 0.912 0.850 0.450 CB 1.404 22 residues pruned to eliminate duplicates Z: 7 5.013 1.211 0.475 0.618 1.000 0.667 CB 1.025 Z: 19 27.984 2.034 0.776 0.911 0.833 0.333 CB 1.553 19 residues pruned to eliminate duplicates Z: 6 3.090 1.528 0.195 0.540 1.000 0.600 CB 0.728 Z: 11 13.612 1.929 0.801 0.604 0.900 0.700 CB 1.247 11 residues pruned to eliminate duplicates Z: 25 16.106 1.916 0.641 0.490 0.833 0.292 CA 1.268 24 residues pruned to eliminate duplicates Z: 6 4.198 1.903 -0.212 0.495 1.000 0.600 CB 1.259 Z: 10 4.845 1.472 0.359 0.319 0.889 0.667 C 1.110 Z: 6 5.903 1.440 0.381 0.690 1.000 0.600 CA 1.115 Z: 11 4.197 1.588 0.254 0.313 0.700 0.400 N 1.171 11 residues pruned to eliminate duplicates Z: 11 11.443 1.858 0.161 0.883 1.000 0.800 CB 1.213 11 residues pruned to eliminate duplicates Z: 10 11.273 1.806 0.243 0.728 1.000 0.667 CA 1.363 10 residues pruned to eliminate duplicates Z: 12 6.919 1.818 0.671 0.373 0.727 0.545 CB 1.083 12 residues pruned to eliminate duplicates Z: 6 2.104 1.545 0.308 0.204 0.800 0.200 CB 0.826 Z: 10 4.497 1.433 0.394 0.490 0.889 0.444 CB 0.853 Z: 15 15.989 2.159 0.432 0.864 0.786 0.571 CA 1.290 15 residues pruned to eliminate duplicates Z: 6 3.450 1.609 -0.122 0.788 1.000 0.800 CB 0.848 Z: 6 2.067 1.372 -0.212 0.426 1.000 0.600 CB 0.923 Z: 17 17.611 2.133 0.524 0.691 0.938 0.688 CB 1.214 17 residues pruned to eliminate duplicates Z: 10 10.101 1.748 0.346 0.460 1.000 0.667 N 1.490 19 residues pruned to eliminate duplicates Z: 21 23.998 2.048 0.541 0.795 0.950 0.400 CB 1.382 21 residues pruned to eliminate duplicates Z: 12 6.467 1.738 0.200 0.390 0.818 0.727 N 1.284 12 residues pruned to eliminate duplicates Z: 6 3.872 1.441 0.414 0.452 1.000 0.400 N 0.893 5 residues pruned to eliminate duplicates Z: 18 34.629 2.268 0.831 0.913 0.941 0.706 CB 1.521 18 residues pruned to eliminate duplicates Z: 8 6.966 1.641 0.239 0.740 0.857 0.714 CA 1.218 Z: 36 41.504 2.197 0.622 0.756 1.000 0.800 CB 1.566 36 residues pruned to eliminate duplicates Z: 19 19.247 2.125 0.376 0.724 0.889 0.667 CB 1.427 19 residues pruned to eliminate duplicates Z: 6 5.212 1.693 0.503 0.576 0.800 0.400 CA 1.064 5 residues pruned to eliminate duplicates 6 1.677 1.591 0.129 0.395 0.400 0.400 CA 1.166 ? Z: 10 5.352 1.976 0.404 0.176 0.889 0.333 CB 1.070 10 residues pruned to eliminate duplicates Z: 8 3.291 1.479 0.523 0.345 0.714 0.429 CB 0.915 Z: 11 3.949 1.737 0.164 0.451 0.600 0.500 CB 1.083 5 residues pruned to eliminate duplicates Z: 10 18.639 1.781 0.840 0.844 1.000 0.889 CA 1.410 10 residues pruned to eliminate duplicates Z: 10 10.704 1.619 0.849 0.830 1.000 0.778 CA 0.896 10 residues pruned to eliminate duplicates Z: 10 2.980 1.333 0.040 0.451 0.889 0.667 N 0.847 6 1.261 1.361 -0.043 0.461 0.600 0.600 CB 0.751 ? Z: 15 22.702 1.793 0.829 0.906 0.929 0.429 N 1.417 15 residues pruned to eliminate duplicates Z: 11 15.025 1.925 0.711 0.858 0.900 0.600 CA 1.181 11 residues pruned to eliminate duplicates Z: 21 32.224 2.063 0.497 0.899 1.000 0.750 CB 1.668 21 residues pruned to eliminate duplicates Z: 15 7.971 1.702 0.057 0.310 1.000 0.500 CA 1.461 15 residues pruned to eliminate duplicates Z: 14 8.753 1.894 0.482 0.331 0.769 0.462 CB 1.353 14 residues pruned to eliminate duplicates Z: 6 6.740 1.810 0.437 0.486 0.800 0.600 CA 1.469 6 residues pruned to eliminate duplicates Z: 6 3.789 1.721 0.112 0.518 0.800 0.600 N 1.088 Z: 15 11.261 1.915 0.447 0.339 0.929 0.429 CB 1.394 15 residues pruned to eliminate duplicates Z: 18 9.659 1.742 0.276 0.330 0.882 0.471 N 1.439 12 residues pruned to eliminate duplicates Z: 46 36.376 2.053 0.775 0.664 0.933 0.644 CB 1.371 48 residues pruned to eliminate duplicates Z: 10 12.317 1.828 0.534 0.448 1.000 0.778 CA 1.545 10 residues pruned to eliminate duplicates Z: 21 19.765 1.987 0.370 0.884 1.000 0.900 CA 1.173 21 residues pruned to eliminate duplicates Z: 9 8.948 1.641 0.501 0.635 1.000 0.750 CA 1.132 9 residues pruned to eliminate duplicates Z: 19 10.354 1.896 0.169 0.434 0.778 0.389 CA 1.515 19 residues pruned to eliminate duplicates Z: 10 7.768 1.974 0.656 0.426 0.778 0.444 CB 1.100 10 residues pruned to eliminate duplicates Z: 6 2.396 1.411 0.249 0.354 0.800 0.600 CB 0.890 Z: 16 8.570 1.658 0.301 0.367 0.867 0.533 CA 1.365 12 residues pruned to eliminate duplicates Z: 8 2.192 1.332 0.751 0.284 0.571 0.429 CA 0.793 Z: 6 4.864 1.387 0.589 0.811 1.000 0.800 CB 0.753 Z: 8 7.105 1.964 0.219 0.476 1.000 0.857 CA 1.149 8 residues pruned to eliminate duplicates Z: 9 7.633 1.852 0.663 0.479 0.750 0.625 CA 1.193 8 residues pruned to eliminate duplicates Z: 15 8.483 1.736 0.222 0.448 0.857 0.714 CB 1.315 15 residues pruned to eliminate duplicates Z: 24 18.740 2.241 0.655 0.303 0.783 0.435 CB 1.678 24 residues pruned to eliminate duplicates Z: 18 34.446 2.207 1.009 0.858 0.941 0.529 CB 1.473 18 residues pruned to eliminate duplicates Z: 21 15.483 2.045 0.418 0.447 0.800 0.550 CA 1.577 21 residues pruned to eliminate duplicates Z: 6 3.027 1.285 0.413 0.457 0.800 0.600 CB 0.973 Z: 14 4.510 1.725 0.110 0.309 0.846 0.615 CB 0.954 14 residues pruned to eliminate duplicates Z: 13 21.274 2.015 0.637 0.702 1.000 0.917 CA 1.549 13 residues pruned to eliminate duplicates Z: 11 9.258 1.997 0.721 0.496 0.800 0.600 CB 1.068 11 residues pruned to eliminate duplicates Z: 8 6.936 1.728 0.467 0.642 1.000 0.714 CA 0.906 8 residues pruned to eliminate duplicates Z: 9 5.221 1.824 0.151 0.382 0.875 0.375 N 1.140 9 residues pruned to eliminate duplicates Z: 22 42.738 2.178 0.949 0.901 1.000 0.333 CB 1.567 22 residues pruned to eliminate duplicates 6 1.785 1.286 0.457 0.617 1.000 0.800 CB 0.382 ? Z: 6 5.057 1.584 0.149 0.613 1.000 0.600 CA 1.116 6 residues pruned to eliminate duplicates Z: 16 13.568 1.710 0.532 0.504 0.933 0.533 CB 1.426 16 residues pruned to eliminate duplicates Z: 12 7.932 1.768 0.321 0.352 0.909 0.364 CA 1.321 11 residues pruned to eliminate duplicates Z: 13 14.835 1.984 0.340 0.860 0.917 0.583 CB 1.292 13 residues pruned to eliminate duplicates Z: 6 3.683 1.425 0.457 0.398 1.000 0.800 N 0.883 9 1.840 1.232 0.193 0.186 0.750 0.500 O 0.861 ? Z: 7 7.862 1.672 0.341 0.772 1.000 0.833 CB 1.126 7 residues pruned to eliminate duplicates Z: 6 3.384 1.573 -0.127 0.650 1.000 0.800 CB 0.959 Z: 9 2.038 1.521 0.373 0.307 0.625 0.500 CB 0.684 Z: 7 10.200 2.188 0.714 0.730 0.833 0.167 CA 1.083 7 residues pruned to eliminate duplicates Z: 9 8.812 1.769 0.704 0.547 0.750 0.750 CA 1.316 9 residues pruned to eliminate duplicates Z: 15 7.970 1.793 0.266 0.322 0.786 0.286 O 1.452 15 residues pruned to eliminate duplicates Z: 19 6.391 1.571 0.289 0.347 0.833 0.444 CB 1.054 14 residues pruned to eliminate duplicates Z: 17 10.483 1.878 0.811 0.288 0.750 0.438 CB 1.304 17 residues pruned to eliminate duplicates Z: 8 7.380 1.802 0.401 0.658 0.857 0.857 CB 1.113 8 residues pruned to eliminate duplicates Z: 6 3.179 1.570 0.485 0.370 0.800 0.400 CB 0.876 Z: 7 2.865 1.522 0.711 0.376 0.667 0.500 CB 0.769 Z: 19 36.789 2.077 1.073 0.948 1.000 0.389 CA 1.391 19 residues pruned to eliminate duplicates Z: 10 3.959 1.748 0.510 0.351 0.889 0.556 CB 0.661 10 residues pruned to eliminate duplicates Z: 22 41.115 2.090 0.901 0.917 0.952 0.476 CB 1.673 21 residues pruned to eliminate duplicates Z: 8 5.529 1.523 0.438 0.520 0.857 0.714 CB 1.091 8 residues pruned to eliminate duplicates Z: 8 3.864 1.510 0.238 0.339 0.857 0.571 N 1.087 Z: 7 5.894 1.666 0.212 0.517 0.833 0.500 O 1.406 7 residues pruned to eliminate duplicates Z: 21 24.204 2.104 0.512 0.789 1.000 0.700 CB 1.320 21 residues pruned to eliminate duplicates Z: 18 23.498 2.092 0.710 0.859 0.882 0.588 CA 1.329 18 residues pruned to eliminate duplicates Z: 10 2.698 1.393 0.266 0.233 0.778 0.556 CB 0.894 10 residues pruned to eliminate duplicates Z: 9 8.995 1.622 0.404 0.725 1.000 0.750 CA 1.140 9 residues pruned to eliminate duplicates Z: 8 3.393 1.872 -0.015 0.310 0.714 0.286 CB 1.202 Z: 18 28.231 2.317 0.513 0.921 1.000 0.647 CB 1.374 18 residues pruned to eliminate duplicates Z: 6 5.497 1.815 0.210 0.442 0.800 0.600 N 1.485 6 residues pruned to eliminate duplicates Z: 11 6.381 1.704 0.229 0.408 0.800 0.500 CB 1.327 11 residues pruned to eliminate duplicates 6 1.890 1.423 0.473 0.299 0.800 0.600 CB 0.631 ? Z: 6 3.775 1.634 0.971 0.509 0.800 0.600 CB 0.649 6 residues pruned to eliminate duplicates Z: 7 8.846 1.719 0.392 0.751 0.833 0.833 CB 1.447 Z: 11 5.540 1.684 0.127 0.419 0.800 0.400 CB 1.255 9 residues pruned to eliminate duplicates Z: 8 3.221 1.279 0.984 0.386 0.714 0.286 CB 0.758 Z: 13 6.881 1.884 0.258 0.529 0.667 0.667 CB 1.221 13 residues pruned to eliminate duplicates Z: 8 5.465 1.739 0.131 0.585 0.857 0.714 CA 1.129 Z: 8 4.393 1.634 0.671 0.379 0.714 0.571 CB 0.969 Z: 10 3.022 1.365 0.219 0.352 0.778 0.444 CB 0.914 Z: 10 16.610 1.848 0.516 0.883 1.000 0.778 CA 1.429 11 residues pruned to eliminate duplicates Z: 23 12.111 1.803 0.388 0.436 0.818 0.545 CB 1.346 21 residues pruned to eliminate duplicates 6 1.074 1.157 0.443 0.293 0.600 0.400 N 0.605 ? 6 1.741 1.271 -0.056 0.295 0.800 0.400 O 1.021 ? Z: 11 7.217 1.906 0.224 0.455 0.900 0.500 CB 1.139 11 residues pruned to eliminate duplicates Z: 10 5.486 1.669 0.246 0.483 1.000 0.778 CA 0.894 13 residues pruned to eliminate duplicates Z: 11 10.030 1.861 0.106 0.620 1.000 0.800 CB 1.376 11 residues pruned to eliminate duplicates Z: 7 2.023 1.085 0.563 0.347 1.000 0.667 CA 0.575 Z: 10 3.916 1.681 0.571 0.351 0.556 0.333 CB 1.045 9 residues pruned to eliminate duplicates Z: 9 2.952 1.522 0.523 0.375 0.750 0.250 CB 0.686 9 residues pruned to eliminate duplicates Z: 15 9.440 1.844 0.463 0.375 0.786 0.429 CA 1.360 15 residues pruned to eliminate duplicates Z: 8 3.536 1.618 -0.027 0.566 1.000 0.286 CB 0.796 7 residues pruned to eliminate duplicates Z: 6 4.764 1.854 0.670 0.688 1.000 1.000 CB 0.579 6 residues pruned to eliminate duplicates Z: 8 7.286 1.751 -0.005 0.724 1.000 0.714 CA 1.291 Z: 6 2.731 1.415 0.225 0.537 0.800 0.400 CB 0.850 Z: 51 35.932 2.194 0.584 0.496 0.880 0.440 CB 1.669 62 residues pruned to eliminate duplicates Z: 20 10.868 1.760 0.450 0.347 0.895 0.526 CA 1.289 20 residues pruned to eliminate duplicates Z: 6 2.881 1.728 0.321 0.552 0.800 0.400 CB 0.671 Z: 15 14.532 1.846 0.332 0.863 0.929 0.786 CA 1.248 15 residues pruned to eliminate duplicates Z: 7 6.930 1.833 -0.007 0.736 1.000 0.667 CB 1.257 7 residues pruned to eliminate duplicates Z: 43 26.327 2.163 0.600 0.327 0.905 0.571 CB 1.569 39 residues pruned to eliminate duplicates Z: 11 13.398 2.010 0.739 0.812 0.800 0.700 CA 1.154 11 residues pruned to eliminate duplicates Z: 7 2.082 1.436 -0.237 0.361 0.833 0.667 CB 1.081 Z: 7 4.098 1.665 0.251 0.461 0.667 0.500 CB 1.254 Z: 30 14.156 1.860 0.683 0.265 0.828 0.448 CB 1.325 30 residues pruned to eliminate duplicates Z: 18 10.066 1.789 0.517 0.366 0.706 0.529 CA 1.471 18 residues pruned to eliminate duplicates 10 1.984 1.214 0.865 0.185 0.667 0.222 CB 0.640 ? Z: 6 3.207 1.553 0.221 0.654 1.000 0.800 CB 0.655 Z: 10 6.297 1.801 0.282 0.326 0.889 0.667 CA 1.239 10 residues pruned to eliminate duplicates Z: 7 14.183 2.187 0.665 0.571 0.833 0.667 CA 1.782 7 1.966 1.179 0.163 0.283 1.000 0.333 CB 0.747 ? Z: 31 23.058 2.015 0.572 0.628 0.933 0.767 CB 1.262 31 residues pruned to eliminate duplicates Z: 14 12.060 1.776 0.597 0.420 0.923 0.538 C 1.388 14 residues pruned to eliminate duplicates Z: 13 4.460 1.581 0.265 0.312 0.917 0.500 CB 0.865 13 residues pruned to eliminate duplicates Z: 6 3.770 1.571 -0.282 0.817 1.000 0.800 C 1.136 5 residues pruned to eliminate duplicates Z: 45 40.647 2.178 0.589 0.707 1.000 0.773 CB 1.467 45 residues pruned to eliminate duplicates Z: 6 2.662 1.398 -0.299 0.679 1.000 1.000 N 1.030 Z: 6 5.756 1.696 0.587 0.484 1.000 0.800 CB 0.972 6 residues pruned to eliminate duplicates Z: 10 10.675 1.825 0.235 0.838 0.889 0.333 CA 1.328 10 residues pruned to eliminate duplicates Z: 7 4.074 1.243 0.731 0.428 0.833 0.833 CA 0.999 Z: 6 6.023 1.691 0.055 0.687 1.000 0.800 CB 1.271 6 residues pruned to eliminate duplicates 6 1.458 1.186 0.194 0.491 0.800 0.400 C 0.581 ? Z: 10 9.503 1.954 0.257 0.546 0.889 0.556 CA 1.387 10 residues pruned to eliminate duplicates Z: 8 9.130 1.775 0.823 0.517 0.714 0.714 N 1.468 8 residues pruned to eliminate duplicates Z: 7 3.690 1.500 -0.014 0.492 1.000 0.500 CB 1.027 Z: 10 3.331 1.615 0.111 0.469 0.778 0.556 CB 0.821 Z: 6 2.488 1.522 0.159 0.316 0.800 0.400 CA 0.966 Z: 9 4.475 1.712 -0.087 0.505 0.875 0.625 CA 1.152 9 residues pruned to eliminate duplicates Z: 14 9.594 1.794 0.450 0.537 0.923 0.462 CB 1.068 14 residues pruned to eliminate duplicates Z: 7 3.674 1.378 0.279 0.578 1.000 0.667 CB 0.789 Z: 6 4.201 1.503 0.634 0.410 0.800 0.600 C 1.050 Z: 8 2.401 1.375 0.153 0.445 0.714 0.429 N 0.848 Z: 7 3.410 1.804 -0.157 0.370 1.000 0.667 CB 1.052 7 residues pruned to eliminate duplicates Z: 10 4.583 1.525 0.284 0.220 0.889 0.444 N 1.220 11 residues pruned to eliminate duplicates Z: 20 11.316 1.737 0.417 0.402 0.895 0.421 CA 1.306 20 residues pruned to eliminate duplicates Z: 28 26.188 2.086 0.593 0.591 0.926 0.556 CA 1.502 28 residues pruned to eliminate duplicates Z: 8 2.702 1.517 0.677 0.071 0.714 0.429 CB 0.984 Z: 7 2.788 1.259 0.250 0.585 1.000 0.500 CB 0.666 Z: 9 3.079 1.564 0.548 0.219 0.750 0.375 CB 0.834 Z: 9 4.648 1.605 0.496 0.341 0.875 0.500 CB 0.930 9 residues pruned to eliminate duplicates Z: 6 5.652 1.789 0.548 0.818 0.800 0.600 CA 0.865 Z: 52 32.502 2.008 0.609 0.495 0.941 0.549 CB 1.504 52 residues pruned to eliminate duplicates Z: 11 3.058 1.622 0.006 0.255 0.800 0.400 CB 0.982 Using tripeptides from previous cycle as seeds Z: 11 15.659 1.994 0.295 0.781 1.000 0.700 CA 1.497 11 residues pruned to eliminate duplicates Z: 11 5.082 1.510 0.376 0.555 0.700 0.500 CB 1.048 11 residues pruned to eliminate duplicates Z: 10 9.341 1.908 0.976 0.364 0.778 0.556 CB 1.229 10 residues pruned to eliminate duplicates Z: 23 12.100 1.877 0.695 0.275 0.864 0.545 CB 1.212 23 residues pruned to eliminate duplicates Z: 12 6.329 1.825 0.604 0.202 0.727 0.545 CB 1.276 12 residues pruned to eliminate duplicates Z: 10 7.095 1.738 0.632 0.449 0.889 0.667 CB 0.989 10 residues pruned to eliminate duplicates Z: 25 10.520 1.718 0.554 0.303 0.875 0.458 CB 1.145 27 residues pruned to eliminate duplicates Z: 6 7.200 2.015 0.388 0.434 0.800 0.600 C 1.541 6 residues pruned to eliminate duplicates Z: 29 23.799 2.218 0.667 0.376 0.857 0.429 CB 1.620 29 residues pruned to eliminate duplicates Z: 17 15.694 2.178 0.541 0.332 0.938 0.375 CB 1.498 17 residues pruned to eliminate duplicates Z: 29 24.233 2.166 0.537 0.456 0.929 0.571 CB 1.550 29 residues pruned to eliminate duplicates Z: 30 24.985 2.206 0.682 0.410 0.897 0.379 CB 1.532 30 residues pruned to eliminate duplicates Z: 30 23.541 2.212 0.598 0.413 0.828 0.448 CB 1.638 30 residues pruned to eliminate duplicates Z: 26 25.209 2.215 0.745 0.450 0.960 0.600 CB 1.429 32 residues pruned to eliminate duplicates Z: 28 24.273 2.235 0.628 0.354 0.926 0.481 CB 1.622 28 residues pruned to eliminate duplicates Z: 18 11.763 2.000 0.591 0.322 0.765 0.412 CB 1.426 18 residues pruned to eliminate duplicates Z: 24 19.841 2.230 0.502 0.388 0.913 0.522 CB 1.523 24 residues pruned to eliminate duplicates Z: 22 24.020 2.315 0.631 0.355 1.000 0.381 CB 1.624 22 residues pruned to eliminate duplicates Z: 29 25.338 2.248 0.655 0.407 0.893 0.464 CB 1.590 29 residues pruned to eliminate duplicates Z: 28 24.706 2.272 0.673 0.391 0.889 0.556 CB 1.578 28 residues pruned to eliminate duplicates Z: 22 23.419 2.325 0.668 0.330 0.952 0.524 CB 1.667 22 residues pruned to eliminate duplicates Z: 30 23.025 2.234 0.596 0.375 0.862 0.586 CB 1.589 30 residues pruned to eliminate duplicates Z: 28 27.471 2.271 0.745 0.400 0.926 0.556 CB 1.601 32 residues pruned to eliminate duplicates Z: 6 3.035 1.872 0.602 0.154 0.600 0.400 CB 1.154 6 residues pruned to eliminate duplicates Z: 23 22.394 2.315 0.669 0.341 0.864 0.545 CA 1.701 23 residues pruned to eliminate duplicates Z: 23 21.712 2.278 0.530 0.374 0.955 0.455 CB 1.592 23 residues pruned to eliminate duplicates Z: 19 17.981 2.252 0.546 0.373 0.833 0.444 CB 1.673 19 residues pruned to eliminate duplicates Z: 29 22.064 2.222 0.630 0.358 0.857 0.357 CB 1.566 27 residues pruned to eliminate duplicates Z: 9 6.381 1.860 0.413 0.412 1.000 0.500 CB 0.941 9 residues pruned to eliminate duplicates Z: 21 17.534 2.030 0.605 0.432 0.900 0.600 CA 1.435 21 residues pruned to eliminate duplicates Z: 57 25.794 2.179 0.491 0.315 0.839 0.429 CB 1.551 57 residues pruned to eliminate duplicates Z: 27 19.566 2.224 0.678 0.320 0.808 0.462 CB 1.553 27 residues pruned to eliminate duplicates Z: 58 24.307 2.164 0.462 0.319 0.825 0.404 CB 1.508 58 residues pruned to eliminate duplicates Z: 57 27.556 2.157 0.574 0.330 0.875 0.429 CB 1.493 57 residues pruned to eliminate duplicates Z: 44 21.334 2.134 0.537 0.305 0.884 0.442 CB 1.396 44 residues pruned to eliminate duplicates Z: 48 20.731 2.117 0.437 0.292 0.809 0.404 CB 1.553 48 residues pruned to eliminate duplicates Z: 48 29.821 2.178 0.740 0.311 0.894 0.447 CB 1.583 48 residues pruned to eliminate duplicates Z: 42 25.011 2.176 0.571 0.311 0.927 0.439 CB 1.521 42 residues pruned to eliminate duplicates Z: 41 26.259 2.206 0.512 0.375 0.850 0.550 CB 1.674 41 residues pruned to eliminate duplicates Z: 59 30.505 2.145 0.452 0.367 0.931 0.500 CB 1.592 59 residues pruned to eliminate duplicates Z: 53 35.116 2.219 0.657 0.357 0.923 0.558 CA 1.675 53 residues pruned to eliminate duplicates Z: 46 28.734 2.195 0.516 0.366 0.889 0.467 CB 1.671 46 residues pruned to eliminate duplicates Z: 59 29.262 2.160 0.527 0.319 0.862 0.431 CB 1.649 59 residues pruned to eliminate duplicates Z: 56 30.184 2.201 0.512 0.333 0.891 0.400 CB 1.649 56 residues pruned to eliminate duplicates Z: 43 26.290 2.183 0.542 0.392 0.857 0.595 CB 1.576 43 residues pruned to eliminate duplicates Z: 33 15.058 2.000 0.366 0.311 0.844 0.406 CB 1.424 33 residues pruned to eliminate duplicates Z: 53 33.174 2.253 0.564 0.352 0.904 0.577 CB 1.695 53 residues pruned to eliminate duplicates Z: 55 27.914 2.223 0.434 0.295 0.926 0.463 CB 1.619 55 residues pruned to eliminate duplicates Z: 27 13.297 1.871 0.370 0.368 0.769 0.500 CB 1.524 27 residues pruned to eliminate duplicates Z: 30 15.349 1.983 0.368 0.372 0.793 0.414 CA 1.519 30 residues pruned to eliminate duplicates Z: 17 14.046 2.153 0.347 0.411 0.812 0.500 CA 1.637 17 residues pruned to eliminate duplicates Z: 19 11.052 2.023 0.305 0.357 0.778 0.333 CA 1.481 19 residues pruned to eliminate duplicates Z: 18 13.758 2.150 0.259 0.398 0.824 0.529 CA 1.666 18 residues pruned to eliminate duplicates Z: 17 11.880 2.139 0.206 0.391 0.750 0.562 CA 1.724 17 residues pruned to eliminate duplicates Z: 19 12.432 2.057 0.362 0.394 0.722 0.556 CA 1.620 19 residues pruned to eliminate duplicates Z: 18 10.857 2.105 0.214 0.366 0.765 0.471 CA 1.556 18 residues pruned to eliminate duplicates Z: 18 8.679 1.991 0.253 0.245 0.765 0.353 CB 1.481 18 residues pruned to eliminate duplicates Z: 57 28.298 2.189 0.429 0.343 0.893 0.482 CB 1.605 57 residues pruned to eliminate duplicates Z: 38 23.613 2.093 0.466 0.376 0.919 0.514 CB 1.573 38 residues pruned to eliminate duplicates Z: 28 20.232 2.124 0.459 0.428 0.889 0.444 CA 1.523 28 residues pruned to eliminate duplicates Z: 29 14.635 2.096 0.199 0.385 0.821 0.500 CB 1.513 29 residues pruned to eliminate duplicates Z: 37 19.549 2.116 0.461 0.340 0.806 0.556 CA 1.558 37 residues pruned to eliminate duplicates Z: 34 20.211 2.173 0.418 0.370 0.818 0.636 CA 1.604 34 residues pruned to eliminate duplicates Z: 68 39.232 2.203 0.410 0.565 0.896 0.642 CA 1.619 68 residues pruned to eliminate duplicates Z: 14 7.628 1.863 0.362 0.314 0.769 0.308 CA 1.332 14 residues pruned to eliminate duplicates Z: 6 3.934 2.025 0.274 0.189 0.600 0.200 O 1.649 Z: 11 5.227 1.905 0.051 0.261 0.700 0.300 CA 1.551 11 residues pruned to eliminate duplicates Z: 15 11.542 1.965 0.349 0.447 0.929 0.643 CA 1.322 15 residues pruned to eliminate duplicates Z: 15 12.559 2.065 0.361 0.458 0.929 0.571 CA 1.342 21 residues pruned to eliminate duplicates Z: 51 36.032 2.168 0.447 0.613 0.920 0.640 CA 1.586 51 residues pruned to eliminate duplicates Z: 108 50.247 2.214 0.521 0.460 0.897 0.570 CA 1.674 109 residues pruned to eliminate duplicates Z: 6 3.065 1.391 0.467 0.270 0.800 0.400 CA 1.090 6 residues pruned to eliminate duplicates Z: 45 42.385 2.191 0.598 0.688 0.977 0.636 CB 1.572 45 residues pruned to eliminate duplicates Z: 47 32.691 2.151 0.367 0.641 0.957 0.761 CB 1.503 47 residues pruned to eliminate duplicates Z: 54 40.504 2.192 0.435 0.668 0.962 0.604 CB 1.574 54 residues pruned to eliminate duplicates Z: 49 34.703 2.150 0.535 0.575 0.917 0.542 CB 1.541 49 residues pruned to eliminate duplicates Z: 44 41.286 2.214 0.542 0.699 0.977 0.674 CA 1.575 44 residues pruned to eliminate duplicates Z: 45 44.292 2.194 0.632 0.725 0.977 0.614 CA 1.558 45 residues pruned to eliminate duplicates Z: 38 39.494 2.251 0.510 0.693 0.973 0.649 CB 1.647 38 residues pruned to eliminate duplicates Z: 45 38.909 2.180 0.546 0.690 0.932 0.614 CA 1.569 45 residues pruned to eliminate duplicates Z: 41 41.885 2.276 0.606 0.730 0.900 0.650 CB 1.637 41 residues pruned to eliminate duplicates Z: 49 38.542 2.233 0.463 0.626 0.917 0.625 CA 1.650 49 residues pruned to eliminate duplicates Z: 44 45.252 2.221 0.583 0.707 1.000 0.628 CB 1.626 44 residues pruned to eliminate duplicates Z: 54 45.025 2.225 0.656 0.629 0.943 0.528 CB 1.576 54 residues pruned to eliminate duplicates Z: 43 42.665 2.240 0.635 0.716 0.929 0.619 CB 1.593 43 residues pruned to eliminate duplicates Z: 30 40.394 2.270 0.710 0.778 0.966 0.621 CB 1.567 30 residues pruned to eliminate duplicates Z: 47 40.839 2.185 0.654 0.649 0.913 0.630 CA 1.589 47 residues pruned to eliminate duplicates Z: 46 43.452 2.211 0.628 0.672 0.956 0.600 CB 1.606 46 residues pruned to eliminate duplicates Z: 44 43.781 2.248 0.646 0.691 0.930 0.581 CB 1.629 44 residues pruned to eliminate duplicates Z: 55 41.968 2.184 0.680 0.584 0.926 0.537 CA 1.552 55 residues pruned to eliminate duplicates Z: 44 42.257 2.244 0.611 0.687 0.930 0.628 CB 1.615 44 residues pruned to eliminate duplicates Z: 45 45.828 2.230 0.679 0.693 0.955 0.614 CB 1.620 45 residues pruned to eliminate duplicates Z: 44 47.267 2.267 0.644 0.679 0.977 0.558 CB 1.679 44 residues pruned to eliminate duplicates Z: 71 38.958 2.190 0.487 0.542 0.871 0.557 CA 1.575 71 residues pruned to eliminate duplicates Z: 45 41.549 2.206 0.642 0.692 0.932 0.591 CB 1.556 45 residues pruned to eliminate duplicates Z: 55 48.095 2.260 0.640 0.615 0.981 0.574 CA 1.613 55 residues pruned to eliminate duplicates Z: 21 17.127 2.040 0.489 0.529 0.950 0.600 CB 1.290 21 residues pruned to eliminate duplicates Z: 17 18.525 2.168 0.535 0.563 0.875 0.688 CB 1.496 17 residues pruned to eliminate duplicates Z: 45 44.419 2.176 0.713 0.696 0.955 0.682 CA 1.574 45 residues pruned to eliminate duplicates Z: 45 42.142 2.192 0.601 0.671 0.955 0.705 CB 1.620 45 residues pruned to eliminate duplicates Z: 43 48.081 2.252 0.657 0.724 0.976 0.762 CB 1.664 43 residues pruned to eliminate duplicates Z: 49 38.794 2.164 0.665 0.597 0.938 0.583 CB 1.512 49 residues pruned to eliminate duplicates Z: 44 42.495 2.208 0.681 0.665 0.977 0.372 CB 1.534 44 residues pruned to eliminate duplicates Z: 18 15.569 2.057 0.548 0.543 0.824 0.529 CB 1.381 18 residues pruned to eliminate duplicates Z: 16 21.669 2.106 0.507 0.659 1.000 0.600 CB 1.521 16 residues pruned to eliminate duplicates Z: 29 27.834 2.151 0.661 0.647 0.786 0.464 CB 1.634 29 residues pruned to eliminate duplicates Z: 38 25.512 2.137 0.700 0.503 0.811 0.351 CB 1.421 38 residues pruned to eliminate duplicates Z: 16 22.435 2.119 0.609 0.673 1.000 0.600 CB 1.448 16 residues pruned to eliminate duplicates Z: 17 19.068 2.091 0.509 0.632 0.938 0.625 CB 1.424 17 residues pruned to eliminate duplicates Z: 52 45.695 2.286 0.590 0.636 0.961 0.549 CB 1.614 52 residues pruned to eliminate duplicates Z: 21 14.405 2.048 0.518 0.370 0.850 0.450 CB 1.401 21 residues pruned to eliminate duplicates Z: 7 6.123 1.601 0.373 0.468 1.000 0.667 CB 1.175 7 residues pruned to eliminate duplicates Z: 45 33.726 2.104 0.773 0.549 0.864 0.409 CB 1.504 45 residues pruned to eliminate duplicates Z: 29 25.481 2.090 0.709 0.452 0.929 0.500 CB 1.525 29 residues pruned to eliminate duplicates Z: 54 35.811 2.141 0.587 0.579 0.906 0.453 CB 1.481 54 residues pruned to eliminate duplicates Z: 48 35.249 2.103 0.667 0.554 0.936 0.426 CB 1.486 48 residues pruned to eliminate duplicates Z: 6 3.577 1.512 0.360 0.367 1.000 0.600 CB 0.897 6 residues pruned to eliminate duplicates Z: 8 3.559 1.707 0.348 0.204 0.857 0.714 CA 0.968 5 residues pruned to eliminate duplicates Z: 9 4.929 1.614 0.376 0.305 1.000 0.250 CB 0.974 10 residues pruned to eliminate duplicates Z: 6 2.416 1.488 0.603 0.442 0.800 0.400 CB 0.601 6 residues pruned to eliminate duplicates Z: 19 6.817 1.697 0.805 0.120 0.722 0.333 CB 1.171 13 residues pruned to eliminate duplicates Z: 6 3.768 1.775 0.720 0.283 0.600 0.600 CB 1.175 6 residues pruned to eliminate duplicates Z: 14 11.740 1.877 0.586 0.309 0.923 0.615 CB 1.464 14 residues pruned to eliminate duplicates Z: 13 8.850 1.870 0.528 0.386 0.833 0.583 CB 1.210 13 residues pruned to eliminate duplicates Z: 13 10.783 1.944 0.397 0.472 0.833 0.750 CB 1.415 13 residues pruned to eliminate duplicates Z: 11 14.506 1.868 0.715 0.567 1.000 0.600 CB 1.342 11 residues pruned to eliminate duplicates Z: 9 21.846 2.092 0.738 0.788 1.000 1.000 CB 1.650 9 residues pruned to eliminate duplicates Z: 11 15.581 1.974 0.685 0.516 0.900 0.800 CB 1.621 11 residues pruned to eliminate duplicates Z: 10 11.370 1.967 0.652 0.585 0.889 0.778 CB 1.209 10 residues pruned to eliminate duplicates Z: 12 12.215 1.950 0.702 0.458 0.727 0.636 CB 1.593 12 residues pruned to eliminate duplicates Z: 11 12.514 1.846 0.660 0.626 1.000 0.700 CB 1.147 11 residues pruned to eliminate duplicates Z: 10 11.968 2.060 0.130 0.617 1.000 0.667 CA 1.534 12 residues pruned to eliminate duplicates Z: 6 7.096 1.743 0.709 0.484 1.000 0.800 CA 1.083 6 residues pruned to eliminate duplicates Z: 9 17.267 2.223 0.482 0.613 1.000 0.875 CA 1.665 9 residues pruned to eliminate duplicates Z: 6 2.915 1.514 0.397 0.403 0.800 0.600 CA 0.852 6 residues pruned to eliminate duplicates Z: 9 10.444 2.149 0.280 0.524 0.875 0.875 N 1.498 9 residues pruned to eliminate duplicates Z: 12 10.016 1.839 0.499 0.471 0.818 0.636 CB 1.379 12 residues pruned to eliminate duplicates Z: 9 15.267 2.183 0.382 0.562 1.000 0.875 N 1.685 9 residues pruned to eliminate duplicates Z: 13 12.669 1.855 0.619 0.365 0.917 0.417 CA 1.535 13 residues pruned to eliminate duplicates Z: 12 13.238 1.948 0.647 0.328 1.000 0.545 CA 1.502 12 residues pruned to eliminate duplicates Z: 6 2.361 1.446 0.142 0.268 1.000 0.200 CA 0.834 6 residues pruned to eliminate duplicates Z: 13 9.758 1.895 0.608 0.359 0.833 0.417 CA 1.291 13 residues pruned to eliminate duplicates Z: 26 15.926 1.899 0.666 0.321 0.840 0.400 CA 1.460 26 residues pruned to eliminate duplicates Z: 14 11.171 1.744 0.773 0.432 0.923 0.385 CA 1.166 14 residues pruned to eliminate duplicates Z: 57 39.046 2.077 0.635 0.559 0.964 0.661 CA 1.505 57 residues pruned to eliminate duplicates Z: 52 37.901 2.096 0.694 0.538 0.961 0.745 CA 1.499 52 residues pruned to eliminate duplicates Z: 12 9.963 1.925 0.615 0.361 0.909 0.364 CA 1.234 12 residues pruned to eliminate duplicates Z: 12 10.545 1.876 0.920 0.287 0.818 0.364 CB 1.370 12 residues pruned to eliminate duplicates Z: 57 37.448 2.085 0.593 0.549 0.964 0.661 CA 1.489 57 residues pruned to eliminate duplicates Z: 57 40.640 2.109 0.652 0.553 0.964 0.679 CA 1.535 57 residues pruned to eliminate duplicates Z: 33 17.799 1.888 0.686 0.285 0.906 0.500 CA 1.389 33 residues pruned to eliminate duplicates Z: 57 37.750 2.095 0.612 0.534 0.929 0.661 CA 1.555 57 residues pruned to eliminate duplicates Z: 57 39.574 2.068 0.667 0.556 0.911 0.625 CB 1.596 57 residues pruned to eliminate duplicates Z: 39 21.743 1.997 0.664 0.354 0.842 0.553 CA 1.476 39 residues pruned to eliminate duplicates Z: 54 38.764 2.126 0.608 0.589 0.887 0.660 CA 1.613 54 residues pruned to eliminate duplicates Z: 27 21.386 2.083 0.766 0.350 1.000 0.538 CA 1.342 27 residues pruned to eliminate duplicates Z: 52 29.781 2.118 0.534 0.531 0.902 0.686 CA 1.380 52 residues pruned to eliminate duplicates Z: 44 32.459 2.090 0.527 0.662 0.953 0.744 CA 1.399 44 residues pruned to eliminate duplicates Z: 59 38.213 2.043 0.698 0.526 0.931 0.655 CA 1.515 58 residues pruned to eliminate duplicates Z: 6 4.882 1.529 0.557 0.378 1.000 0.800 CA 1.045 6 residues pruned to eliminate duplicates Z: 58 39.752 2.060 0.645 0.544 0.965 0.684 CA 1.542 59 residues pruned to eliminate duplicates Z: 7 6.108 1.594 0.682 0.540 1.000 1.000 CA 0.894 7 residues pruned to eliminate duplicates Z: 34 38.759 2.107 0.547 0.763 1.000 0.788 CA 1.639 34 residues pruned to eliminate duplicates Z: 24 21.546 2.108 0.673 0.532 0.913 0.783 CB 1.352 24 residues pruned to eliminate duplicates Z: 52 37.879 2.085 0.668 0.543 0.941 0.627 CA 1.553 52 residues pruned to eliminate duplicates Z: 41 43.481 2.153 0.701 0.717 0.925 0.775 CB 1.668 41 residues pruned to eliminate duplicates Z: 35 38.249 2.145 0.642 0.714 0.912 0.794 CB 1.683 35 residues pruned to eliminate duplicates Z: 32 35.227 2.178 0.500 0.749 0.903 0.839 CA 1.718 32 residues pruned to eliminate duplicates Z: 55 44.157 2.087 0.750 0.565 0.981 0.704 CA 1.574 55 residues pruned to eliminate duplicates Z: 31 34.276 2.105 0.532 0.751 0.967 0.600 CA 1.605 31 residues pruned to eliminate duplicates Z: 34 35.247 2.039 0.602 0.702 0.970 0.727 CA 1.612 34 residues pruned to eliminate duplicates Z: 40 39.372 2.127 0.751 0.675 0.923 0.667 CB 1.561 40 residues pruned to eliminate duplicates Z: 31 36.851 2.145 0.552 0.747 0.933 0.733 CA 1.735 31 residues pruned to eliminate duplicates Z: 47 34.865 2.081 0.700 0.592 0.891 0.630 CB 1.492 47 residues pruned to eliminate duplicates Z: 59 33.968 2.037 0.599 0.542 0.879 0.621 CA 1.495 59 residues pruned to eliminate duplicates Z: 58 40.410 2.032 0.773 0.553 0.895 0.632 CA 1.577 58 residues pruned to eliminate duplicates Z: 55 35.974 2.066 0.665 0.561 0.907 0.574 CA 1.478 55 residues pruned to eliminate duplicates Z: 33 43.760 2.136 0.829 0.704 0.969 0.719 CA 1.697 34 residues pruned to eliminate duplicates Z: 21 36.581 2.122 0.775 0.925 0.950 0.600 CB 1.604 21 residues pruned to eliminate duplicates Z: 60 38.287 2.015 0.791 0.548 0.864 0.593 CB 1.524 60 residues pruned to eliminate duplicates Z: 33 40.843 2.082 0.828 0.714 0.938 0.562 CB 1.667 33 residues pruned to eliminate duplicates Z: 41 38.857 2.031 0.744 0.663 0.975 0.600 CB 1.530 41 residues pruned to eliminate duplicates Z: 31 36.165 2.095 0.662 0.754 0.933 0.400 CB 1.620 31 residues pruned to eliminate duplicates Z: 35 39.728 2.091 0.834 0.724 0.912 0.529 CB 1.592 35 residues pruned to eliminate duplicates Z: 33 40.586 2.128 0.774 0.771 0.938 0.656 CB 1.595 33 residues pruned to eliminate duplicates Z: 34 41.719 2.150 0.761 0.711 0.939 0.606 CB 1.686 34 residues pruned to eliminate duplicates Z: 50 33.928 2.003 0.734 0.600 0.878 0.551 CB 1.445 50 residues pruned to eliminate duplicates Z: 6 4.331 1.987 -0.115 0.368 0.800 0.400 CB 1.585 6 residues pruned to eliminate duplicates Z: 7 3.455 1.879 -0.062 0.379 0.667 0.333 CB 1.365 7 residues pruned to eliminate duplicates Z: 10 4.537 1.572 0.011 0.417 0.778 0.556 N 1.334 6 residues pruned to eliminate duplicates Z: 6 3.735 1.421 0.465 0.540 0.800 0.400 CA 0.964 8 residues pruned to eliminate duplicates Z: 7 8.989 1.827 0.493 0.775 1.000 0.833 CA 1.055 7 residues pruned to eliminate duplicates Z: 16 9.481 1.757 0.150 0.445 0.933 0.533 CB 1.373 16 residues pruned to eliminate duplicates Z: 12 16.442 1.922 0.413 0.702 1.000 0.909 CA 1.518 13 residues pruned to eliminate duplicates Z: 9 11.005 1.561 0.652 0.758 1.000 0.375 CA 1.199 9 residues pruned to eliminate duplicates Z: 13 10.351 1.849 0.396 0.494 0.833 0.583 CA 1.398 13 residues pruned to eliminate duplicates Z: 15 12.342 1.870 0.456 0.422 0.929 0.714 CA 1.416 15 residues pruned to eliminate duplicates Z: 14 11.046 1.894 0.525 0.383 0.846 0.615 CA 1.421 14 residues pruned to eliminate duplicates Z: 9 9.308 1.887 0.213 0.601 1.000 0.750 CA 1.307 8 residues pruned to eliminate duplicates Z: 6 3.327 1.461 0.565 0.395 0.800 0.600 CA 0.909 4 residues pruned to eliminate duplicates Z: 6 2.716 1.547 0.517 0.155 0.800 0.200 CA 0.988 6 residues pruned to eliminate duplicates Z: 24 15.638 2.135 0.408 0.470 0.739 0.478 CA 1.513 24 residues pruned to eliminate duplicates Z: 16 13.802 2.188 0.338 0.407 0.800 0.467 CB 1.677 16 residues pruned to eliminate duplicates Z: 23 22.938 2.215 0.545 0.500 0.909 0.500 CA 1.572 29 residues pruned to eliminate duplicates Z: 6 2.700 1.864 0.326 0.291 0.800 0.600 CA 0.772 6 residues pruned to eliminate duplicates Z: 24 22.029 2.169 0.711 0.504 0.870 0.522 CA 1.418 24 residues pruned to eliminate duplicates Z: 9 15.603 2.113 0.614 0.751 1.000 0.500 CA 1.294 9 residues pruned to eliminate duplicates Z: 24 20.971 2.187 0.493 0.471 0.913 0.522 CA 1.510 24 residues pruned to eliminate duplicates Z: 17 21.353 2.217 0.443 0.643 0.938 0.625 CA 1.558 17 residues pruned to eliminate duplicates Z: 22 14.616 2.090 0.293 0.470 0.905 0.571 CA 1.345 22 residues pruned to eliminate duplicates Z: 18 22.451 2.160 0.677 0.598 0.882 0.588 CA 1.551 18 residues pruned to eliminate duplicates Z: 25 16.434 2.054 0.466 0.417 0.833 0.333 CA 1.459 25 residues pruned to eliminate duplicates Z: 25 19.732 2.150 0.629 0.447 0.833 0.542 CA 1.458 25 residues pruned to eliminate duplicates Z: 13 13.371 2.064 0.719 0.504 0.833 0.333 CA 1.301 13 residues pruned to eliminate duplicates Z: 7 2.807 1.602 0.310 0.083 0.833 0.333 CB 1.123 3 residues pruned to eliminate duplicates 6 1.406 1.372 0.063 0.298 0.800 0.600 C 0.675 ? Z: 6 6.559 1.696 0.531 0.440 1.000 0.600 N 1.202 6 residues pruned to eliminate duplicates Z: 13 11.203 1.803 0.632 0.507 0.833 0.417 CB 1.310 13 residues pruned to eliminate duplicates Z: 9 12.934 1.877 0.719 0.625 1.000 0.625 CA 1.260 9 residues pruned to eliminate duplicates Z: 12 11.686 1.832 0.549 0.547 0.909 0.636 CA 1.305 12 residues pruned to eliminate duplicates Z: 9 12.179 1.989 0.713 0.511 0.750 0.625 C 1.666 9 residues pruned to eliminate duplicates Z: 16 10.153 1.771 0.486 0.417 0.933 0.667 CB 1.164 16 residues pruned to eliminate duplicates Z: 9 13.749 2.080 0.625 0.488 1.000 0.875 CB 1.456 Z: 6 9.554 1.614 1.021 0.445 1.000 0.800 CB 1.386 Z: 15 19.317 1.894 0.841 0.641 0.929 0.500 CB 1.397 17 residues pruned to eliminate duplicates Z: 11 12.527 1.940 0.452 0.666 0.900 0.800 CB 1.341 11 residues pruned to eliminate duplicates Z: 13 15.287 2.105 0.621 0.621 0.833 0.667 CB 1.384 22 residues pruned to eliminate duplicates Z: 12 20.074 1.946 0.716 0.627 1.000 0.545 CA 1.608 12 residues pruned to eliminate duplicates Z: 12 25.469 2.199 0.752 0.747 1.000 0.727 CB 1.599 26 residues pruned to eliminate duplicates Z: 10 13.828 1.795 0.511 0.770 0.889 0.667 N 1.506 10 residues pruned to eliminate duplicates Z: 13 19.111 1.915 0.878 0.620 1.000 0.583 CB 1.369 13 residues pruned to eliminate duplicates Z: 14 22.164 1.996 0.740 0.661 1.000 0.462 CB 1.525 14 residues pruned to eliminate duplicates Z: 13 7.583 1.669 0.235 0.351 1.000 0.667 CA 1.248 11 residues pruned to eliminate duplicates Z: 6 4.712 1.641 0.329 0.369 1.000 0.400 CA 1.112 6 residues pruned to eliminate duplicates Z: 10 12.113 1.959 0.553 0.316 1.000 0.444 CA 1.626 10 residues pruned to eliminate duplicates Z: 9 10.438 2.001 0.749 0.421 0.875 0.500 CA 1.308 9 residues pruned to eliminate duplicates Z: 6 6.111 1.365 1.526 0.474 0.800 0.800 C 1.017 6 residues pruned to eliminate duplicates Z: 11 8.847 1.783 0.803 0.399 0.800 0.500 CA 1.210 11 residues pruned to eliminate duplicates Z: 9 11.805 2.029 0.617 0.473 1.000 0.500 CA 1.308 9 residues pruned to eliminate duplicates Z: 8 9.038 2.049 0.211 0.509 1.000 0.571 CA 1.364 10 residues pruned to eliminate duplicates Z: 6 2.477 1.464 0.390 0.223 0.800 0.600 CA 0.942 6 residues pruned to eliminate duplicates Z: 10 9.560 1.940 0.369 0.467 0.889 0.444 CB 1.394 13 residues pruned to eliminate duplicates Z: 7 4.500 1.469 0.854 0.378 0.667 0.333 N 1.153 6 residues pruned to eliminate duplicates Z: 7 9.351 1.923 0.542 0.683 1.000 0.667 CA 1.088 8 residues pruned to eliminate duplicates Z: 6 7.136 1.870 0.642 0.443 1.000 0.600 CA 1.102 6 residues pruned to eliminate duplicates Z: 11 5.996 1.748 0.542 0.296 0.700 0.400 CA 1.263 14 residues pruned to eliminate duplicates Z: 6 6.932 1.609 0.508 0.682 1.000 0.400 CB 1.081 6 residues pruned to eliminate duplicates Z: 11 6.850 1.787 0.458 0.289 0.800 0.200 CA 1.317 11 residues pruned to eliminate duplicates Z: 8 2.804 1.609 0.554 0.076 0.571 0.571 C 1.287 8 residues pruned to eliminate duplicates Z: 9 2.410 1.569 0.643 0.062 0.500 0.125 CB 1.176 9 residues pruned to eliminate duplicates Z: 9 5.915 1.637 0.537 0.273 0.875 0.500 CB 1.229 10 residues pruned to eliminate duplicates Z: 6 4.929 1.477 0.655 0.424 0.800 0.600 N 1.221 6 residues pruned to eliminate duplicates Z: 7 5.060 1.956 0.308 0.397 0.667 0.500 CB 1.350 Z: 18 9.784 1.947 0.296 0.351 0.824 0.588 CB 1.343 25 residues pruned to eliminate duplicates Z: 7 6.251 2.065 0.012 0.318 0.833 0.333 CB 1.792 Z: 6 2.419 1.626 0.430 0.383 0.600 0.600 CB 0.878 Z: 6 3.493 1.585 0.060 0.382 1.000 0.800 CA 1.053 Z: 6 3.547 1.984 0.038 0.483 0.600 0.400 CA 1.305 Z: 14 11.469 2.023 0.348 0.455 0.846 0.538 CA 1.443 20 residues pruned to eliminate duplicates Z: 12 8.158 2.037 0.301 0.524 0.727 0.636 CA 1.246 12 residues pruned to eliminate duplicates Z: 15 9.835 1.973 0.292 0.464 0.786 0.571 CA 1.361 15 residues pruned to eliminate duplicates Z: 16 9.478 1.803 0.274 0.348 0.867 0.400 O 1.450 16 residues pruned to eliminate duplicates Z: 14 12.604 1.993 0.357 0.470 0.846 0.385 CA 1.574 14 residues pruned to eliminate duplicates Z: 14 12.066 1.947 0.424 0.367 0.846 0.538 CA 1.645 14 residues pruned to eliminate duplicates Z: 16 12.259 1.885 0.531 0.311 0.867 0.467 CA 1.560 16 residues pruned to eliminate duplicates Z: 15 21.949 1.974 0.913 0.631 1.000 0.714 CB 1.374 14 residues pruned to eliminate duplicates Z: 6 7.925 1.957 0.408 0.346 1.000 0.800 CB 1.520 6 residues pruned to eliminate duplicates Z: 13 20.651 2.076 0.706 0.720 1.000 0.917 CB 1.379 13 residues pruned to eliminate duplicates Z: 6 3.835 1.624 0.644 0.274 0.600 0.400 N 1.384 6 residues pruned to eliminate duplicates Z: 12 19.174 2.133 0.639 0.701 0.909 0.818 CB 1.514 12 residues pruned to eliminate duplicates Z: 7 5.612 1.478 0.776 0.541 1.000 0.833 CA 0.839 7 residues pruned to eliminate duplicates Z: 14 6.424 1.866 0.618 0.274 0.615 0.462 CA 1.239 12 residues pruned to eliminate duplicates Z: 17 7.141 1.740 0.549 0.246 0.688 0.438 CB 1.292 19 residues pruned to eliminate duplicates Z: 11 10.565 1.948 0.647 0.360 0.800 0.600 CB 1.515 12 residues pruned to eliminate duplicates Z: 16 8.092 1.735 0.714 0.323 0.667 0.400 N 1.280 16 residues pruned to eliminate duplicates Z: 13 4.266 1.711 0.495 0.177 0.750 0.333 CB 0.949 13 residues pruned to eliminate duplicates Z: 12 5.724 1.620 0.531 0.243 0.909 0.545 CB 1.030 12 residues pruned to eliminate duplicates Z: 6 6.240 2.006 0.444 0.329 0.800 0.400 CB 1.451 6 residues pruned to eliminate duplicates Z: 6 2.621 1.954 -0.030 0.100 1.000 0.400 CB 1.031 Z: 8 7.635 1.754 0.440 0.545 1.000 0.714 CB 1.093 6 residues pruned to eliminate duplicates Z: 6 7.355 1.690 0.698 0.738 1.000 0.600 CB 0.926 6 residues pruned to eliminate duplicates Z: 6 10.257 1.619 0.827 0.774 1.000 0.400 CB 1.217 7 residues pruned to eliminate duplicates Z: 7 3.001 1.602 0.192 0.326 0.667 0.333 CA 1.165 Z: 7 5.999 1.654 0.686 0.448 1.000 0.667 CA 0.926 6 residues pruned to eliminate duplicates Z: 9 10.627 1.878 0.520 0.641 1.000 1.000 CA 1.154 9 residues pruned to eliminate duplicates Z: 17 9.784 1.997 0.392 0.541 0.938 0.750 CA 0.901 17 residues pruned to eliminate duplicates Z: 15 9.814 2.015 0.388 0.482 0.857 0.714 CA 1.114 17 residues pruned to eliminate duplicates Z: 17 8.817 1.810 0.243 0.423 1.000 0.562 CA 1.061 17 residues pruned to eliminate duplicates Z: 17 9.685 1.921 0.460 0.366 0.875 0.625 CA 1.139 17 residues pruned to eliminate duplicates Z: 31 25.541 2.046 0.569 0.698 0.933 0.667 CA 1.299 31 residues pruned to eliminate duplicates Z: 19 8.491 1.802 0.472 0.304 0.778 0.500 CA 1.207 19 residues pruned to eliminate duplicates Z: 23 26.899 2.083 0.636 0.781 1.000 0.727 CA 1.314 23 residues pruned to eliminate duplicates Z: 38 24.981 2.039 0.564 0.588 0.919 0.622 CA 1.288 38 residues pruned to eliminate duplicates Z: 47 31.409 1.998 0.726 0.631 0.935 0.500 CB 1.270 47 residues pruned to eliminate duplicates Z: 38 34.494 2.065 0.685 0.738 0.973 0.541 CB 1.353 38 residues pruned to eliminate duplicates Z: 38 34.279 2.043 0.749 0.733 0.919 0.649 CB 1.391 38 residues pruned to eliminate duplicates Z: 47 31.906 2.047 0.620 0.659 0.913 0.630 CB 1.340 47 residues pruned to eliminate duplicates Z: 47 35.917 2.026 0.694 0.643 0.978 0.587 CB 1.380 47 residues pruned to eliminate duplicates Z: 37 25.575 1.994 0.681 0.577 0.861 0.500 CB 1.371 37 residues pruned to eliminate duplicates Z: 44 34.780 2.087 0.734 0.675 0.977 0.605 CB 1.277 44 residues pruned to eliminate duplicates Z: 41 34.923 2.071 0.766 0.697 0.950 0.600 CB 1.328 40 residues pruned to eliminate duplicates Z: 20 31.316 2.110 0.786 0.922 1.000 0.737 CA 1.340 20 residues pruned to eliminate duplicates Z: 32 24.851 2.013 0.650 0.625 0.935 0.452 CB 1.276 32 residues pruned to eliminate duplicates Z: 33 21.855 2.018 0.675 0.571 0.875 0.438 CA 1.219 33 residues pruned to eliminate duplicates Z: 17 23.406 2.078 0.739 0.736 0.938 0.562 CA 1.397 17 residues pruned to eliminate duplicates Z: 32 31.123 2.052 0.793 0.730 0.935 0.548 CB 1.320 32 residues pruned to eliminate duplicates Z: 44 29.003 2.057 0.621 0.648 0.907 0.605 CB 1.274 44 residues pruned to eliminate duplicates Z: 48 33.505 2.059 0.678 0.632 0.915 0.596 CA 1.365 48 residues pruned to eliminate duplicates Z: 27 21.098 2.040 0.631 0.643 0.923 0.615 CA 1.179 27 residues pruned to eliminate duplicates Z: 36 27.562 2.019 0.652 0.612 0.943 0.600 CA 1.333 36 residues pruned to eliminate duplicates Z: 7 3.190 1.512 0.377 0.375 0.667 0.333 CB 1.072 7 residues pruned to eliminate duplicates Z: 36 24.560 1.970 0.754 0.565 0.857 0.400 CA 1.317 36 residues pruned to eliminate duplicates Z: 38 36.791 2.094 0.757 0.740 0.946 0.514 CB 1.401 38 residues pruned to eliminate duplicates Z: 29 24.813 2.011 0.827 0.628 0.857 0.321 CA 1.320 29 residues pruned to eliminate duplicates Z: 44 33.244 2.069 0.709 0.688 0.884 0.605 CB 1.365 46 residues pruned to eliminate duplicates Z: 18 17.526 2.004 0.738 0.636 0.824 0.588 CB 1.305 18 residues pruned to eliminate duplicates Z: 20 15.477 1.967 0.625 0.588 0.842 0.579 CB 1.213 20 residues pruned to eliminate duplicates Z: 37 33.359 2.109 0.801 0.727 0.861 0.500 CA 1.386 37 residues pruned to eliminate duplicates Z: 42 22.997 2.011 0.527 0.579 0.829 0.512 CA 1.307 42 residues pruned to eliminate duplicates Z: 24 13.072 1.810 0.482 0.500 0.826 0.435 CB 1.231 19 residues pruned to eliminate duplicates Z: 14 20.340 2.100 0.598 0.832 1.000 0.692 CB 1.262 18 residues pruned to eliminate duplicates Z: 18 16.506 1.999 0.817 0.677 0.824 0.471 CB 1.138 18 residues pruned to eliminate duplicates Z: 53 33.388 1.979 0.680 0.656 0.942 0.615 CA 1.279 53 residues pruned to eliminate duplicates Z: 14 21.813 1.964 0.926 0.847 0.846 0.615 CB 1.404 14 residues pruned to eliminate duplicates Z: 47 28.985 2.034 0.607 0.633 0.870 0.565 CB 1.327 47 residues pruned to eliminate duplicates Z: 14 25.553 2.092 0.851 0.844 1.000 0.615 CB 1.361 14 residues pruned to eliminate duplicates Z: 22 23.550 2.179 0.509 0.613 0.857 0.714 CA 1.638 22 residues pruned to eliminate duplicates Z: 25 24.897 2.164 0.392 0.583 0.958 0.667 CA 1.625 21 residues pruned to eliminate duplicates Z: 6 4.857 1.586 0.720 0.416 0.800 0.600 CA 1.086 6 residues pruned to eliminate duplicates Z: 27 23.344 2.197 0.316 0.569 0.885 0.462 CB 1.674 27 residues pruned to eliminate duplicates Z: 19 24.971 2.295 0.429 0.634 0.889 0.444 CA 1.781 19 residues pruned to eliminate duplicates Z: 28 38.078 2.263 0.509 0.765 1.000 0.630 CB 1.697 34 residues pruned to eliminate duplicates Z: 13 27.286 2.293 0.659 0.876 0.917 0.500 CB 1.642 13 residues pruned to eliminate duplicates Z: 30 33.286 2.227 0.527 0.684 0.931 0.655 CB 1.648 30 residues pruned to eliminate duplicates Z: 33 29.602 2.134 0.464 0.616 0.969 0.594 CB 1.548 33 residues pruned to eliminate duplicates Z: 47 38.943 2.239 0.546 0.526 0.957 0.478 CA 1.689 76 residues pruned to eliminate duplicates Z: 20 31.875 2.285 0.677 0.688 0.947 0.632 CA 1.696 Z: 20 30.843 2.290 0.498 0.852 1.000 0.526 CB 1.526 11 residues pruned to eliminate duplicates Z: 11 20.752 2.400 0.690 0.877 0.800 0.100 CB 1.469 11 residues pruned to eliminate duplicates Z: 30 28.497 2.161 0.623 0.697 0.828 0.414 CB 1.523 30 residues pruned to eliminate duplicates Z: 18 27.139 2.279 0.730 0.891 0.882 0.353 CB 1.360 18 residues pruned to eliminate duplicates Z: 32 35.192 2.146 0.630 0.676 0.968 0.581 CB 1.588 29 residues pruned to eliminate duplicates Z: 21 33.665 2.159 0.740 0.917 1.000 0.550 CB 1.414 21 residues pruned to eliminate duplicates Z: 35 33.351 2.155 0.615 0.606 0.882 0.500 CA 1.684 35 residues pruned to eliminate duplicates Z: 30 34.799 2.198 0.643 0.696 0.931 0.621 CA 1.607 33 residues pruned to eliminate duplicates Z: 20 25.777 2.203 0.523 0.872 0.895 0.526 CB 1.436 20 residues pruned to eliminate duplicates Z: 29 31.292 2.185 0.531 0.719 0.929 0.464 CB 1.561 29 residues pruned to eliminate duplicates Z: 35 31.641 2.174 0.638 0.638 0.853 0.529 CB 1.570 30 residues pruned to eliminate duplicates Z: 21 35.623 2.255 0.641 0.886 1.000 0.600 CB 1.553 21 residues pruned to eliminate duplicates Z: 31 31.093 2.122 0.580 0.685 0.933 0.567 CA 1.531 35 residues pruned to eliminate duplicates Z: 21 33.320 2.204 0.781 0.833 0.950 0.650 CB 1.499 20 residues pruned to eliminate duplicates Z: 6 7.452 1.499 0.954 0.882 1.000 1.000 CA 0.823 6 residues pruned to eliminate duplicates Z: 19 11.923 1.864 0.373 0.323 0.889 0.333 N 1.501 19 residues pruned to eliminate duplicates Z: 19 15.005 1.931 0.589 0.368 0.889 0.389 CB 1.494 19 residues pruned to eliminate duplicates Z: 19 13.296 1.885 0.429 0.366 0.889 0.389 N 1.510 19 residues pruned to eliminate duplicates Z: 19 13.156 1.913 0.401 0.364 0.889 0.444 CB 1.507 19 residues pruned to eliminate duplicates Z: 12 11.499 1.872 0.524 0.517 0.909 0.545 N 1.314 12 residues pruned to eliminate duplicates Z: 17 12.773 1.970 0.367 0.361 0.875 0.312 CB 1.573 17 residues pruned to eliminate duplicates Z: 19 13.020 1.903 0.390 0.379 0.889 0.611 CB 1.486 19 residues pruned to eliminate duplicates Z: 19 12.214 1.853 0.380 0.384 0.889 0.611 N 1.432 19 residues pruned to eliminate duplicates Z: 18 15.331 1.922 0.457 0.406 0.941 0.647 N 1.556 19 residues pruned to eliminate duplicates Z: 6 3.725 1.618 0.033 0.397 1.000 0.600 CB 1.111 6 residues pruned to eliminate duplicates Z: 18 11.179 1.865 0.337 0.337 0.882 0.529 CB 1.471 18 residues pruned to eliminate duplicates Z: 18 13.440 1.945 0.332 0.365 0.941 0.588 N 1.546 18 residues pruned to eliminate duplicates Z: 7 2.388 1.697 -0.058 0.083 0.833 0.333 C 1.255 7 residues pruned to eliminate duplicates Z: 9 7.616 1.876 0.152 0.440 0.875 0.375 N 1.516 9 residues pruned to eliminate duplicates Z: 6 2.898 1.545 0.383 0.326 0.600 0.400 O 1.224 6 residues pruned to eliminate duplicates Z: 7 8.767 2.022 0.385 0.430 0.833 0.667 N 1.650 8 residues pruned to eliminate duplicates Z: 7 3.429 1.444 0.387 0.541 0.833 0.500 C 0.806 Z: 7 2.302 1.285 0.473 0.332 0.667 0.500 CA 0.895 Z: 9 4.226 1.583 0.478 0.331 0.625 0.375 N 1.231 6 residues pruned to eliminate duplicates Z: 6 3.546 1.523 0.419 0.576 0.600 0.400 CA 1.137 6 residues pruned to eliminate duplicates Z: 6 5.230 1.667 0.430 0.479 1.000 1.000 CB 1.002 Z: 6 4.989 1.586 0.850 0.262 0.800 0.200 N 1.248 6 residues pruned to eliminate duplicates Z: 8 6.774 2.172 0.797 0.406 0.571 0.571 CB 1.267 8 residues pruned to eliminate duplicates Z: 10 7.240 2.137 0.740 0.406 0.667 0.444 CB 1.074 10 residues pruned to eliminate duplicates Z: 12 4.251 2.034 0.533 0.264 0.636 0.364 CB 0.845 12 residues pruned to eliminate duplicates Z: 11 7.443 2.164 0.842 0.290 0.600 0.300 CB 1.246 11 residues pruned to eliminate duplicates Z: 14 7.511 1.964 0.714 0.235 0.769 0.308 CB 1.095 14 residues pruned to eliminate duplicates Z: 15 7.264 1.922 0.407 0.309 0.786 0.357 CB 1.130 15 residues pruned to eliminate duplicates Z: 9 7.530 2.322 0.771 0.325 0.625 0.375 CB 1.255 9 residues pruned to eliminate duplicates Z: 9 4.931 1.668 0.201 0.354 0.875 0.375 CB 1.165 Z: 8 3.322 1.608 0.041 0.334 1.000 0.571 CB 0.900 8 residues pruned to eliminate duplicates Z: 8 4.906 1.842 0.652 0.239 0.857 0.571 CB 0.962 8 residues pruned to eliminate duplicates Z: 12 4.288 1.730 0.702 0.243 0.727 0.545 CB 0.812 8 residues pruned to eliminate duplicates Z: 8 4.521 1.537 0.724 0.297 0.857 0.286 CB 0.944 8 residues pruned to eliminate duplicates Z: 12 2.461 1.724 0.209 0.234 0.636 0.273 CB 0.763 12 residues pruned to eliminate duplicates 564 residues left after pruning, divided into chains as follows: A: 13 B: 7 C: 27 D: 14 E: 11 F: 12 G: 120 H: 6 I: 10 J: 57 K: 8 L: 15 M: 24 N: 13 O: 10 P: 7 Q: 16 R: 10 S: 15 T: 23 U: 7 V: 46 W: 30 X: 21 Y: 9 Z: 7 Z: 10 Z: 9 Z: 7 CC for partial structure against native data = 19.68 % ------------------------------------------------------------------------------ Global autotracing cycle 6 = 0.300, Contrast = 0.407, Connect. = 0.680 for dens.mod. cycle 1 = 0.300, Contrast = 0.472, Connect. = 0.704 for dens.mod. cycle 2 = 0.300, Contrast = 0.549, Connect. = 0.739 for dens.mod. cycle 3 = 0.300, Contrast = 0.557, Connect. = 0.744 for dens.mod. cycle 4 = 0.300, Contrast = 0.566, Connect. = 0.749 for dens.mod. cycle 5 = 0.300, Contrast = 0.571, Connect. = 0.753 for dens.mod. cycle 6 = 0.300, Contrast = 0.575, Connect. = 0.756 for dens.mod. cycle 7 = 0.300, Contrast = 0.578, Connect. = 0.758 for dens.mod. cycle 8 = 0.300, Contrast = 0.579, Connect. = 0.760 for dens.mod. cycle 9 = 0.300, Contrast = 0.581, Connect. = 0.761 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6713 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1216 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 13.892 1.924 0.533 0.592 0.929 0.643 CB 1.242 B: 21 26.540 2.140 0.418 0.905 1.000 0.700 CB 1.392 C: 13 20.943 2.218 0.644 0.840 0.667 0.417 CA 1.857 D: 21 39.094 2.307 0.582 0.936 1.000 0.650 CB 1.668 13 residues pruned to eliminate duplicates E: 55 42.215 2.194 0.556 0.641 0.944 0.611 CB 1.562 21 residues pruned to eliminate duplicates F: 10 11.423 1.837 0.558 0.542 0.889 0.556 CA 1.437 G: 21 28.650 2.094 0.343 0.900 1.000 0.850 CA 1.627 H: 21 37.504 2.290 0.563 0.946 1.000 0.600 CB 1.620 21 residues pruned to eliminate duplicates I: 27 12.395 1.950 0.157 0.380 0.846 0.500 CB 1.447 J: 21 38.238 2.290 0.655 0.913 0.950 0.700 CB 1.680 21 residues pruned to eliminate duplicates K: 18 22.603 2.098 0.097 0.908 1.000 0.941 CA 1.691 18 residues pruned to eliminate duplicates L: 21 32.080 2.256 0.330 0.941 1.000 0.850 CB 1.659 21 residues pruned to eliminate duplicates M: 8 5.490 1.800 0.297 0.375 0.857 0.429 CB 1.185 N: 12 16.177 2.076 0.526 0.661 1.000 0.818 CB 1.326 15 residues pruned to eliminate duplicates O: 21 40.479 2.270 0.806 0.930 1.000 0.750 CB 1.544 32 residues pruned to eliminate duplicates P: 21 28.370 2.241 0.329 0.897 0.950 0.650 CB 1.606 21 residues pruned to eliminate duplicates Q: 20 37.258 2.311 0.611 0.923 1.000 0.789 CB 1.613 20 residues pruned to eliminate duplicates R: 22 37.460 2.073 0.605 0.922 1.000 0.667 CB 1.727 21 residues pruned to eliminate duplicates S: 22 29.105 2.142 0.658 0.882 0.905 0.619 CB 1.431 21 residues pruned to eliminate duplicates T: 21 31.091 2.214 0.744 0.852 0.950 0.500 CB 1.402 21 residues pruned to eliminate duplicates U: 13 8.051 1.799 0.268 0.357 0.833 0.500 N 1.427 V: 21 36.043 2.247 0.506 0.935 1.000 0.850 CB 1.659 21 residues pruned to eliminate duplicates W: 9 6.668 2.158 0.108 0.467 0.625 0.625 CA 1.632 9 residues pruned to eliminate duplicates X: 6 5.028 1.589 0.320 0.722 1.000 0.600 CA 0.877 Y: 21 39.190 2.319 0.573 0.925 1.000 0.600 CB 1.685 21 residues pruned to eliminate duplicates Z: 21 36.655 2.154 0.541 0.921 1.000 0.950 CA 1.739 21 residues pruned to eliminate duplicates Z: 20 22.991 2.035 0.591 0.883 0.947 0.737 CA 1.243 Z: 22 32.727 2.038 0.614 0.922 1.000 0.810 CA 1.526 22 residues pruned to eliminate duplicates Z: 9 6.995 1.859 0.767 0.361 0.625 0.250 CB 1.398 Z: 12 16.549 1.926 0.725 0.537 1.000 0.727 CB 1.450 Z: 22 32.606 2.181 0.474 0.902 1.000 0.762 CB 1.579 21 residues pruned to eliminate duplicates Z: 21 34.012 2.270 0.424 0.904 1.000 0.900 CB 1.676 22 residues pruned to eliminate duplicates Z: 26 17.940 2.115 0.652 0.268 0.840 0.440 CB 1.592 Z: 17 18.306 2.306 0.373 0.427 0.875 0.500 CA 1.782 20 residues pruned to eliminate duplicates Z: 21 33.310 2.128 0.509 0.920 1.000 0.700 CB 1.633 21 residues pruned to eliminate duplicates Z: 22 30.228 2.072 0.347 0.909 1.000 0.905 CA 1.678 22 residues pruned to eliminate duplicates Z: 12 13.168 1.955 0.584 0.505 0.818 0.818 N 1.560 13 residues pruned to eliminate duplicates Z: 32 21.427 2.067 0.715 0.341 0.903 0.484 CA 1.429 Z: 13 14.834 1.979 0.323 0.638 1.000 0.833 CA 1.438 Z: 19 29.113 2.097 0.502 0.883 0.944 0.722 CA 1.668 19 residues pruned to eliminate duplicates Z: 20 38.829 2.065 0.712 0.936 1.000 0.789 CA 1.756 20 residues pruned to eliminate duplicates Z: 11 9.798 2.074 -0.097 0.891 1.000 0.900 CB 1.189 11 residues pruned to eliminate duplicates Z: 44 43.958 2.216 0.567 0.707 0.977 0.558 CA 1.638 44 residues pruned to eliminate duplicates Z: 10 14.141 1.829 0.721 0.768 0.889 0.667 CA 1.328 Z: 12 10.303 1.922 0.431 0.526 0.727 0.545 CB 1.514 12 residues pruned to eliminate duplicates Z: 21 35.284 2.305 0.402 0.921 1.000 0.800 CA 1.718 21 residues pruned to eliminate duplicates Z: 11 16.789 2.182 0.221 0.895 1.000 0.900 CB 1.428 11 residues pruned to eliminate duplicates Z: 20 27.997 2.274 0.568 0.892 0.789 0.368 CB 1.640 20 residues pruned to eliminate duplicates Z: 12 18.163 2.075 0.760 0.682 0.909 0.818 CB 1.396 18 residues pruned to eliminate duplicates Z: 14 20.120 2.006 0.502 0.903 0.923 0.692 CB 1.430 Z: 18 33.434 2.181 0.521 0.927 1.000 0.647 CA 1.713 18 residues pruned to eliminate duplicates Z: 19 29.224 2.130 0.863 0.931 1.000 0.556 CA 1.213 20 residues pruned to eliminate duplicates Z: 27 21.835 2.278 0.458 0.403 0.846 0.423 CB 1.687 27 residues pruned to eliminate duplicates Z: 14 17.176 1.892 0.441 0.888 0.923 0.615 CA 1.364 14 residues pruned to eliminate duplicates Z: 18 33.341 2.236 0.639 0.896 1.000 0.529 CB 1.581 18 residues pruned to eliminate duplicates Z: 25 16.031 2.108 0.314 0.499 0.792 0.417 CA 1.494 Z: 16 19.823 2.148 0.321 0.879 0.867 0.800 CB 1.509 16 residues pruned to eliminate duplicates Z: 20 26.190 2.024 0.725 0.932 1.000 0.526 CA 1.202 20 residues pruned to eliminate duplicates Z: 20 13.426 1.965 0.847 0.255 0.895 0.368 CB 1.256 20 residues pruned to eliminate duplicates Z: 14 26.631 2.315 0.540 0.900 1.000 0.692 CB 1.480 14 residues pruned to eliminate duplicates Z: 12 16.370 2.122 0.633 0.604 1.000 0.727 CB 1.290 12 residues pruned to eliminate duplicates Z: 11 16.402 2.314 0.337 0.859 0.900 0.600 CB 1.371 11 residues pruned to eliminate duplicates Z: 8 8.610 1.837 0.808 0.574 0.857 0.571 N 1.064 Z: 13 17.267 2.218 0.480 0.583 0.917 0.667 CB 1.530 12 residues pruned to eliminate duplicates Z: 15 9.393 1.950 0.267 0.412 0.786 0.500 CB 1.419 Z: 23 29.159 2.130 0.557 0.813 0.955 0.227 CB 1.495 23 residues pruned to eliminate duplicates Z: 11 12.134 2.050 0.186 0.889 1.000 0.700 CB 1.136 11 residues pruned to eliminate duplicates Z: 7 6.711 1.642 0.564 0.483 0.833 0.500 N 1.302 Z: 11 16.693 1.658 1.171 0.744 1.000 0.400 CA 1.179 13 residues pruned to eliminate duplicates Z: 20 40.136 2.319 0.730 0.935 1.000 0.632 CB 1.599 20 residues pruned to eliminate duplicates Z: 13 22.462 2.244 0.499 0.821 0.917 0.667 CB 1.592 13 residues pruned to eliminate duplicates Z: 13 23.353 2.126 0.564 0.891 1.000 0.583 CB 1.458 13 residues pruned to eliminate duplicates Z: 8 6.965 1.984 -0.066 0.674 0.857 0.571 N 1.412 Z: 19 34.047 2.283 0.653 0.921 1.000 0.722 CB 1.497 22 residues pruned to eliminate duplicates Z: 14 33.182 2.285 0.830 0.923 1.000 0.615 CB 1.547 12 residues pruned to eliminate duplicates Z: 15 10.300 1.989 0.409 0.267 0.786 0.214 CB 1.630 15 residues pruned to eliminate duplicates Z: 11 15.837 2.151 0.216 0.765 1.000 0.900 CA 1.513 11 residues pruned to eliminate duplicates Z: 12 8.627 1.996 0.392 0.443 0.636 0.364 CB 1.559 Z: 10 9.006 2.079 0.215 0.443 0.778 0.556 N 1.619 10 residues pruned to eliminate duplicates Z: 18 10.344 1.828 0.585 0.435 0.824 0.588 CB 1.124 16 residues pruned to eliminate duplicates Z: 7 3.936 1.954 -0.297 0.557 0.833 0.667 CA 1.328 Z: 13 22.950 2.322 0.516 0.814 0.917 0.667 CB 1.562 13 residues pruned to eliminate duplicates Z: 9 9.135 1.793 0.896 0.479 1.000 0.625 CA 0.970 8 residues pruned to eliminate duplicates Z: 7 18.718 2.114 1.223 0.614 1.000 0.667 CA 1.460 8 residues pruned to eliminate duplicates Z: 11 18.668 2.247 0.347 0.874 0.800 0.400 CB 1.774 11 residues pruned to eliminate duplicates Z: 9 5.800 1.855 0.217 0.486 1.000 0.625 CB 0.922 9 residues pruned to eliminate duplicates Z: 10 7.763 1.440 0.461 0.763 0.778 0.667 C 1.252 Z: 29 31.840 2.222 0.395 0.713 0.964 0.643 CA 1.660 35 residues pruned to eliminate duplicates Z: 9 13.597 1.924 0.474 0.872 0.875 0.750 CB 1.412 8 residues pruned to eliminate duplicates Z: 17 12.316 2.112 0.233 0.438 0.812 0.562 CB 1.552 17 residues pruned to eliminate duplicates Z: 23 7.146 1.639 0.529 0.281 0.818 0.455 CA 0.952 27 residues pruned to eliminate duplicates Z: 14 11.030 1.793 0.405 0.463 1.000 0.769 CA 1.261 Z: 17 30.572 2.312 0.553 0.936 1.000 0.500 CB 1.483 17 residues pruned to eliminate duplicates Z: 20 19.098 2.160 0.521 0.377 0.895 0.368 CB 1.700 20 residues pruned to eliminate duplicates Z: 15 8.630 1.824 0.433 0.421 0.786 0.571 CB 1.219 Z: 23 30.600 1.930 0.488 0.930 1.000 0.864 CB 1.589 22 residues pruned to eliminate duplicates Z: 40 40.606 2.169 0.606 0.704 0.974 0.692 CA 1.591 38 residues pruned to eliminate duplicates Z: 9 8.471 1.744 0.703 0.489 0.875 0.500 CA 1.165 9 residues pruned to eliminate duplicates Z: 14 11.283 1.805 0.297 0.533 1.000 1.000 CA 1.294 14 residues pruned to eliminate duplicates Z: 9 9.992 1.772 0.596 0.858 0.875 0.625 CA 1.052 9 residues pruned to eliminate duplicates Z: 59 29.919 2.145 0.578 0.363 0.862 0.448 CB 1.561 30 residues pruned to eliminate duplicates Z: 16 9.115 1.827 0.381 0.419 0.733 0.667 CB 1.384 16 residues pruned to eliminate duplicates Z: 22 31.995 2.048 0.453 0.931 1.000 0.857 CA 1.639 22 residues pruned to eliminate duplicates Z: 12 14.903 2.122 0.115 0.704 1.000 0.818 CB 1.578 13 residues pruned to eliminate duplicates Z: 21 11.018 1.938 0.380 0.322 0.750 0.450 CB 1.495 18 residues pruned to eliminate duplicates Z: 9 6.964 1.941 0.255 0.548 0.875 0.625 CB 1.102 9 residues pruned to eliminate duplicates Z: 66 26.680 2.121 0.438 0.309 0.831 0.431 CA 1.615 66 residues pruned to eliminate duplicates Z: 16 13.667 2.106 0.461 0.399 0.867 0.600 CB 1.472 17 residues pruned to eliminate duplicates Z: 19 19.776 2.004 0.379 0.906 1.000 0.778 CA 1.199 19 residues pruned to eliminate duplicates Z: 53 46.176 2.242 0.589 0.651 0.962 0.731 CA 1.625 53 residues pruned to eliminate duplicates Z: 24 18.562 2.090 0.487 0.540 0.957 0.391 CB 1.252 24 residues pruned to eliminate duplicates Z: 8 6.713 1.964 0.219 0.606 0.714 0.714 CB 1.341 8 residues pruned to eliminate duplicates Z: 8 9.341 1.841 0.237 0.751 1.000 0.857 N 1.239 8 residues pruned to eliminate duplicates Z: 15 12.991 1.905 0.606 0.532 0.786 0.429 CA 1.399 13 residues pruned to eliminate duplicates Z: 9 7.413 1.927 0.396 0.467 0.875 0.625 CA 1.152 Z: 11 15.141 2.049 0.728 0.506 0.900 0.700 CB 1.493 12 residues pruned to eliminate duplicates Z: 12 16.268 2.069 0.623 0.787 0.909 0.455 CB 1.248 12 residues pruned to eliminate duplicates Z: 6 3.923 1.972 0.175 0.402 1.000 0.600 CB 0.840 Z: 57 36.233 2.112 0.603 0.586 0.929 0.518 CB 1.418 57 residues pruned to eliminate duplicates Z: 10 5.986 1.761 0.007 0.407 0.889 0.556 CB 1.395 Z: 22 33.261 2.037 0.617 0.913 0.952 0.714 CB 1.638 22 residues pruned to eliminate duplicates Z: 14 8.581 1.969 0.118 0.381 0.846 0.692 CA 1.451 14 residues pruned to eliminate duplicates Z: 23 19.690 2.106 0.601 0.546 0.909 0.409 CB 1.309 23 residues pruned to eliminate duplicates Z: 9 16.073 1.981 0.674 0.799 1.000 0.625 CB 1.319 12 residues pruned to eliminate duplicates Z: 12 15.066 2.106 0.207 0.702 1.000 0.909 CA 1.486 12 residues pruned to eliminate duplicates Z: 12 21.957 2.059 0.728 0.853 1.000 0.818 CB 1.374 12 residues pruned to eliminate duplicates Z: 6 2.181 1.471 0.116 0.222 0.800 0.200 CB 1.028 Z: 9 8.826 1.967 0.211 0.782 0.750 0.375 CB 1.363 9 residues pruned to eliminate duplicates Z: 40 39.142 2.057 0.700 0.694 0.949 0.667 CB 1.582 40 residues pruned to eliminate duplicates Z: 11 9.204 2.022 -0.049 0.855 0.900 0.700 CB 1.241 11 residues pruned to eliminate duplicates Z: 6 5.819 1.877 0.337 0.535 0.800 0.600 CB 1.252 Z: 12 10.671 1.953 0.253 0.522 0.909 0.818 CB 1.416 12 residues pruned to eliminate duplicates Z: 11 7.534 1.849 0.461 0.456 0.800 0.600 CA 1.153 11 residues pruned to eliminate duplicates Z: 13 22.942 2.151 0.794 0.882 0.833 0.750 CB 1.491 13 residues pruned to eliminate duplicates Z: 18 18.959 2.003 0.747 0.849 0.824 0.588 CA 1.183 18 residues pruned to eliminate duplicates Z: 24 18.578 2.125 0.392 0.497 0.870 0.609 CA 1.511 24 residues pruned to eliminate duplicates Z: 19 28.077 2.027 0.857 0.906 0.889 0.722 CA 1.407 18 residues pruned to eliminate duplicates Z: 10 14.866 1.821 0.686 0.842 1.000 0.667 CA 1.202 10 residues pruned to eliminate duplicates Z: 22 8.245 1.617 0.538 0.281 0.810 0.571 CB 1.145 22 residues pruned to eliminate duplicates Z: 13 10.132 1.937 0.499 0.353 0.833 0.417 CA 1.417 12 residues pruned to eliminate duplicates Z: 13 12.949 2.010 0.172 0.638 1.000 0.750 CA 1.394 13 residues pruned to eliminate duplicates Z: 18 35.058 2.120 0.697 0.924 1.000 0.471 CB 1.659 18 residues pruned to eliminate duplicates Z: 13 10.349 2.001 0.372 0.399 0.833 0.750 CA 1.453 Z: 17 14.493 2.013 0.600 0.457 0.750 0.500 CA 1.567 17 residues pruned to eliminate duplicates Z: 10 13.074 2.015 0.643 0.430 0.889 0.444 N 1.592 Z: 13 10.150 1.626 0.902 0.456 0.833 0.583 CA 1.189 20 residues pruned to eliminate duplicates Z: 44 35.758 2.074 0.559 0.643 0.953 0.767 CB 1.547 44 residues pruned to eliminate duplicates Z: 11 5.401 1.708 0.729 0.227 0.700 0.400 CB 1.137 Z: 32 11.083 1.903 0.403 0.322 0.742 0.452 CB 1.222 15 residues pruned to eliminate duplicates Z: 26 15.726 2.016 0.382 0.393 0.840 0.400 CB 1.505 31 residues pruned to eliminate duplicates Z: 10 12.702 1.863 0.546 0.471 1.000 0.667 CB 1.513 Z: 11 13.179 1.657 0.468 0.885 1.000 0.800 CB 1.238 10 residues pruned to eliminate duplicates Z: 20 12.577 1.966 0.437 0.438 0.789 0.737 CB 1.379 20 residues pruned to eliminate duplicates Z: 12 11.328 1.834 0.641 0.472 0.818 0.636 CB 1.427 12 residues pruned to eliminate duplicates Z: 7 6.601 1.812 0.162 0.683 0.833 0.667 C 1.298 Z: 16 8.747 1.832 0.166 0.454 0.867 0.733 CB 1.280 16 residues pruned to eliminate duplicates Z: 57 25.894 2.117 0.493 0.335 0.857 0.411 CB 1.530 57 residues pruned to eliminate duplicates Z: 12 11.712 1.859 0.604 0.375 0.818 0.455 CA 1.654 12 residues pruned to eliminate duplicates Z: 21 36.046 2.258 0.544 0.907 1.000 0.750 CB 1.643 21 residues pruned to eliminate duplicates Z: 30 22.952 2.147 0.625 0.404 0.828 0.448 CB 1.632 30 residues pruned to eliminate duplicates Z: 54 42.585 2.094 0.688 0.577 0.981 0.642 CB 1.567 54 residues pruned to eliminate duplicates Z: 12 10.562 1.891 0.418 0.506 0.818 0.727 N 1.443 12 residues pruned to eliminate duplicates Z: 13 12.477 1.982 0.480 0.503 0.833 0.500 CA 1.469 13 residues pruned to eliminate duplicates Z: 11 8.344 1.777 0.661 0.401 0.800 0.500 CA 1.241 11 residues pruned to eliminate duplicates Z: 10 15.102 2.077 0.036 0.834 1.000 0.889 CB 1.753 10 residues pruned to eliminate duplicates Z: 10 9.982 1.875 0.600 0.447 0.778 0.444 CA 1.505 20 residues pruned to eliminate duplicates Z: 14 10.123 1.951 0.151 0.477 0.923 0.692 CB 1.386 14 residues pruned to eliminate duplicates Z: 15 23.678 1.893 0.877 0.887 0.857 0.429 N 1.498 15 residues pruned to eliminate duplicates Z: 23 11.988 1.770 0.709 0.295 0.818 0.545 CB 1.300 12 residues pruned to eliminate duplicates Z: 9 12.463 2.004 0.580 0.569 0.875 0.625 CA 1.488 11 residues pruned to eliminate duplicates Z: 9 12.022 1.796 0.778 0.658 0.875 0.750 CA 1.314 9 residues pruned to eliminate duplicates Z: 24 34.692 1.926 0.724 0.873 1.000 0.826 CA 1.586 24 residues pruned to eliminate duplicates Z: 15 14.275 2.114 0.554 0.330 1.000 0.429 CA 1.400 15 residues pruned to eliminate duplicates Z: 49 25.641 2.104 0.529 0.335 0.896 0.521 CB 1.538 49 residues pruned to eliminate duplicates Z: 15 18.062 1.970 0.480 0.681 1.000 0.714 CB 1.402 12 residues pruned to eliminate duplicates Z: 12 7.369 1.557 0.414 0.356 0.909 0.455 N 1.296 Z: 6 4.341 1.809 0.160 0.553 0.800 0.600 CB 1.097 Z: 7 7.137 2.061 -0.085 0.585 0.833 0.833 CA 1.708 7 residues pruned to eliminate duplicates Z: 14 9.462 2.066 0.158 0.403 0.769 0.385 CB 1.579 14 residues pruned to eliminate duplicates Z: 9 5.784 2.038 0.442 0.245 0.875 0.500 CA 1.068 9 residues pruned to eliminate duplicates Z: 23 38.744 2.008 0.820 0.903 1.000 0.636 CB 1.611 23 residues pruned to eliminate duplicates Z: 9 9.260 1.833 0.855 0.525 0.875 0.750 CA 1.074 9 residues pruned to eliminate duplicates Z: 27 25.440 2.181 0.651 0.441 0.923 0.577 CB 1.596 27 residues pruned to eliminate duplicates Z: 22 21.370 2.228 0.334 0.788 0.857 0.476 CB 1.422 22 residues pruned to eliminate duplicates Z: 6 8.533 1.988 0.859 0.648 0.800 0.800 CB 1.124 6 residues pruned to eliminate duplicates Z: 15 17.784 1.765 0.519 0.830 0.857 0.429 CB 1.555 15 residues pruned to eliminate duplicates Z: 17 9.123 1.911 0.304 0.401 0.750 0.438 CA 1.354 Z: 42 27.269 2.185 0.502 0.395 0.878 0.488 CB 1.651 42 residues pruned to eliminate duplicates Z: 14 12.950 2.036 0.395 0.460 0.923 0.538 CA 1.428 14 residues pruned to eliminate duplicates Z: 18 10.728 1.893 0.337 0.370 0.824 0.471 CB 1.435 18 residues pruned to eliminate duplicates Z: 8 7.090 1.725 0.103 0.713 1.000 0.857 CA 1.161 Z: 15 15.185 1.820 0.324 0.899 1.000 0.714 CA 1.204 15 residues pruned to eliminate duplicates Z: 29 25.855 2.104 0.473 0.586 0.929 0.536 CA 1.563 29 residues pruned to eliminate duplicates Z: 10 5.774 1.754 0.190 0.448 0.889 0.556 CA 1.094 11 residues pruned to eliminate duplicates Z: 7 11.113 2.201 0.332 0.854 0.833 0.667 CB 1.371 7 residues pruned to eliminate duplicates Z: 21 37.406 2.252 0.672 0.901 0.950 0.400 CB 1.669 21 residues pruned to eliminate duplicates Z: 18 8.105 1.705 0.553 0.399 0.765 0.588 CB 1.080 22 residues pruned to eliminate duplicates Z: 20 21.074 2.180 0.593 0.852 0.789 0.474 CB 1.304 20 residues pruned to eliminate duplicates Z: 7 3.413 1.642 0.783 0.362 0.667 0.500 CB 0.828 Z: 21 38.194 2.105 0.778 0.888 1.000 0.500 CB 1.645 21 residues pruned to eliminate duplicates Z: 12 8.151 2.055 0.174 0.709 0.636 0.455 CA 1.324 12 residues pruned to eliminate duplicates Z: 26 20.853 2.224 0.627 0.388 0.840 0.600 CB 1.544 26 residues pruned to eliminate duplicates Z: 22 32.854 2.002 0.588 0.907 1.000 0.619 CA 1.603 22 residues pruned to eliminate duplicates Z: 9 7.022 1.468 0.605 0.617 1.000 0.750 CA 0.944 Z: 45 35.218 2.093 0.593 0.618 0.955 0.682 CB 1.492 45 residues pruned to eliminate duplicates Z: 11 16.205 2.190 0.310 0.838 0.900 0.500 CB 1.484 11 residues pruned to eliminate duplicates Z: 7 8.786 1.837 0.693 0.665 1.000 0.833 CB 0.990 7 residues pruned to eliminate duplicates Z: 6 6.382 1.381 1.007 0.853 1.000 0.600 CB 0.761 Z: 6 7.367 1.949 -0.120 0.788 1.000 0.800 CB 1.491 10 residues pruned to eliminate duplicates Z: 32 27.860 2.132 0.472 0.629 0.935 0.677 CA 1.510 30 residues pruned to eliminate duplicates Z: 18 16.973 2.077 0.415 0.488 1.000 0.647 CA 1.418 18 residues pruned to eliminate duplicates Z: 11 10.234 1.870 0.425 0.469 0.900 0.500 CB 1.393 11 residues pruned to eliminate duplicates Z: 11 13.045 2.079 0.182 0.843 0.900 0.800 CB 1.389 11 residues pruned to eliminate duplicates Z: 9 3.579 1.544 0.457 0.287 0.750 0.375 CB 0.953 9 residues pruned to eliminate duplicates Z: 9 6.341 1.484 0.521 0.536 1.000 0.500 CB 0.959 5 residues pruned to eliminate duplicates Z: 12 8.309 1.991 0.243 0.519 0.909 0.636 CB 1.093 12 residues pruned to eliminate duplicates Z: 14 21.599 2.228 0.368 0.821 0.923 0.769 CB 1.612 14 residues pruned to eliminate duplicates Z: 9 14.852 1.911 0.672 0.627 1.000 0.750 CA 1.459 9 residues pruned to eliminate duplicates Z: 9 15.366 1.969 0.614 0.876 0.875 0.625 CB 1.420 9 residues pruned to eliminate duplicates Z: 13 9.341 1.732 0.664 0.474 0.750 0.583 C 1.281 12 residues pruned to eliminate duplicates Z: 27 17.195 1.984 0.684 0.325 0.846 0.346 CA 1.446 26 residues pruned to eliminate duplicates Z: 15 8.536 1.939 0.386 0.379 0.714 0.429 CB 1.352 15 residues pruned to eliminate duplicates Z: 22 25.800 1.992 0.408 0.871 0.952 0.714 CB 1.537 22 residues pruned to eliminate duplicates Z: 10 5.059 1.684 0.036 0.656 0.889 0.556 CB 0.941 Z: 12 11.664 2.073 0.046 0.674 1.000 0.909 CB 1.383 12 residues pruned to eliminate duplicates Z: 38 22.441 2.091 0.433 0.406 0.892 0.459 CA 1.523 37 residues pruned to eliminate duplicates Z: 21 33.263 2.065 0.901 0.917 0.850 0.500 CB 1.573 21 residues pruned to eliminate duplicates Z: 9 7.665 1.948 -0.010 0.426 1.000 0.500 CB 1.519 6 residues pruned to eliminate duplicates Z: 21 30.051 2.219 0.571 0.900 0.950 0.550 CB 1.449 21 residues pruned to eliminate duplicates Z: 12 5.241 1.730 0.207 0.526 0.636 0.455 CB 1.160 12 residues pruned to eliminate duplicates Z: 21 34.295 2.256 0.801 0.756 0.950 0.800 CA 1.581 21 residues pruned to eliminate duplicates Z: 14 24.276 2.215 0.783 0.858 0.846 0.385 CB 1.483 14 residues pruned to eliminate duplicates Z: 17 33.822 2.148 0.989 0.940 1.000 0.625 CA 1.374 18 residues pruned to eliminate duplicates Z: 31 20.760 2.017 0.553 0.411 0.900 0.433 CA 1.477 31 residues pruned to eliminate duplicates Z: 21 25.049 2.211 0.403 0.905 0.950 0.800 CB 1.354 21 residues pruned to eliminate duplicates Z: 7 4.453 1.771 0.068 0.551 0.833 0.500 CB 1.098 Z: 22 36.445 2.075 0.620 0.910 1.000 0.667 CB 1.678 22 residues pruned to eliminate duplicates Z: 8 8.940 1.639 0.816 0.478 0.857 0.857 C 1.354 8 residues pruned to eliminate duplicates Z: 34 27.595 2.062 0.677 0.701 0.909 0.606 CA 1.273 29 residues pruned to eliminate duplicates Z: 23 30.062 1.902 0.558 0.913 1.000 0.773 CA 1.531 23 residues pruned to eliminate duplicates Z: 10 12.385 1.873 0.311 0.806 0.889 0.556 CA 1.448 10 residues pruned to eliminate duplicates Z: 18 22.372 2.047 0.884 0.870 0.882 0.529 CA 1.164 18 residues pruned to eliminate duplicates Z: 14 18.546 2.096 0.559 0.631 0.923 0.769 CB 1.507 14 residues pruned to eliminate duplicates Z: 45 27.063 2.146 0.620 0.324 0.886 0.500 CA 1.607 45 residues pruned to eliminate duplicates Z: 7 12.676 1.707 0.706 0.783 1.000 0.833 CB 1.385 Z: 54 43.613 2.231 0.510 0.645 0.943 0.660 CA 1.647 54 residues pruned to eliminate duplicates Z: 25 17.735 2.113 0.477 0.501 0.750 0.417 CA 1.545 25 residues pruned to eliminate duplicates Z: 9 11.356 2.022 0.514 0.539 0.750 0.750 CB 1.683 9 residues pruned to eliminate duplicates Z: 14 13.151 2.227 0.277 0.431 0.923 0.615 CB 1.493 14 residues pruned to eliminate duplicates Z: 6 5.168 1.531 0.731 0.491 0.800 0.600 CA 1.100 6 residues pruned to eliminate duplicates Z: 27 21.540 2.018 0.634 0.459 0.923 0.615 CB 1.447 27 residues pruned to eliminate duplicates Z: 9 6.331 1.629 0.940 0.634 0.625 0.625 CB 0.999 Z: 12 4.748 1.677 0.576 0.296 0.818 0.545 CB 0.832 12 residues pruned to eliminate duplicates Z: 6 3.898 1.679 0.047 0.501 0.800 0.400 CB 1.238 Z: 6 2.683 1.677 -0.180 0.444 0.800 0.400 CB 1.155 Z: 6 5.729 2.010 -0.013 0.281 1.000 0.400 CB 1.653 6 residues pruned to eliminate duplicates Z: 6 8.547 1.860 0.336 0.700 1.000 0.800 CA 1.282 6 residues pruned to eliminate duplicates Z: 23 28.237 2.056 0.535 0.863 1.000 0.727 CB 1.400 23 residues pruned to eliminate duplicates Z: 16 16.960 2.007 0.581 0.558 0.933 0.733 CB 1.397 12 residues pruned to eliminate duplicates Z: 20 15.482 2.030 0.287 0.525 0.895 0.526 CA 1.483 20 residues pruned to eliminate duplicates Z: 6 3.628 1.383 0.445 0.414 0.800 0.800 CB 1.110 6 residues pruned to eliminate duplicates Z: 36 34.655 2.176 0.562 0.646 0.943 0.771 CA 1.594 36 residues pruned to eliminate duplicates Z: 26 30.387 2.234 0.507 0.703 1.000 0.760 CA 1.501 17 residues pruned to eliminate duplicates Z: 57 27.597 2.154 0.559 0.331 0.875 0.429 CB 1.510 57 residues pruned to eliminate duplicates Z: 9 5.386 1.367 0.348 0.482 0.875 0.750 CB 1.202 Z: 51 24.037 2.154 0.486 0.316 0.840 0.480 CA 1.550 51 residues pruned to eliminate duplicates Z: 9 6.974 1.813 0.332 0.429 0.750 0.500 CA 1.464 9 residues pruned to eliminate duplicates Z: 8 3.109 1.538 0.615 0.265 0.571 0.286 CA 1.082 Z: 11 15.702 2.058 0.713 0.849 0.800 0.500 CB 1.305 11 residues pruned to eliminate duplicates Z: 19 13.836 1.882 0.612 0.506 0.944 0.611 CA 1.131 19 residues pruned to eliminate duplicates Z: 21 24.971 2.154 0.559 0.617 1.000 0.600 CB 1.488 21 residues pruned to eliminate duplicates Z: 9 7.794 1.709 0.574 0.616 0.750 0.625 CA 1.224 9 residues pruned to eliminate duplicates Z: 41 26.574 2.193 0.645 0.312 0.875 0.525 CB 1.639 41 residues pruned to eliminate duplicates Z: 89 34.424 2.133 0.417 0.407 0.841 0.443 CA 1.592 90 residues pruned to eliminate duplicates Z: 9 13.211 2.209 0.089 0.878 1.000 1.000 CB 1.409 9 residues pruned to eliminate duplicates Z: 10 17.322 1.891 0.686 0.851 0.889 0.667 CA 1.508 10 residues pruned to eliminate duplicates Z: 43 21.827 2.012 0.424 0.499 0.905 0.595 CB 1.300 37 residues pruned to eliminate duplicates Z: 7 4.449 1.609 0.287 0.352 0.833 0.500 CB 1.235 5 residues pruned to eliminate duplicates Z: 20 24.920 2.118 0.696 0.867 0.895 0.579 CA 1.301 20 residues pruned to eliminate duplicates Z: 16 9.050 1.897 0.174 0.497 0.933 0.667 CB 1.127 16 residues pruned to eliminate duplicates Z: 14 4.091 1.533 0.503 0.232 0.692 0.538 CA 0.971 Z: 9 15.787 1.907 0.797 0.851 1.000 0.875 CA 1.206 9 residues pruned to eliminate duplicates Z: 12 10.127 1.917 0.372 0.423 0.909 0.636 CA 1.383 12 residues pruned to eliminate duplicates Z: 14 6.284 1.725 0.069 0.422 0.846 0.462 CA 1.212 14 residues pruned to eliminate duplicates Z: 6 4.423 1.813 -0.029 0.587 1.000 0.800 CB 1.033 Z: 21 9.900 1.889 0.454 0.324 0.750 0.450 CB 1.305 21 residues pruned to eliminate duplicates Z: 6 3.317 1.712 0.453 0.240 0.800 0.200 CB 1.007 Z: 6 6.495 1.596 0.309 0.791 1.000 0.800 CB 1.076 Z: 18 20.816 1.979 0.676 0.849 0.882 0.529 CA 1.279 18 residues pruned to eliminate duplicates Z: 7 7.603 1.722 0.538 0.617 1.000 0.833 N 1.049 Z: 8 7.294 1.910 0.091 0.681 1.000 0.857 CA 1.120 9 residues pruned to eliminate duplicates Z: 7 2.010 1.670 -0.300 0.638 0.833 0.500 CB 0.740 7 residues pruned to eliminate duplicates 7 1.822 1.609 0.017 0.314 0.667 0.333 CB 0.837 ? Z: 11 11.475 1.899 0.300 0.770 0.900 0.900 CA 1.286 11 residues pruned to eliminate duplicates Z: 18 9.942 1.931 0.650 0.293 0.765 0.529 CB 1.247 18 residues pruned to eliminate duplicates Z: 12 5.912 1.788 0.240 0.396 0.818 0.636 CA 1.097 12 residues pruned to eliminate duplicates Z: 29 18.132 2.114 0.556 0.357 0.750 0.464 CA 1.621 29 residues pruned to eliminate duplicates Z: 6 3.838 1.555 1.271 0.298 0.600 0.400 N 1.015 Z: 12 23.682 2.292 0.543 0.897 1.000 0.909 CB 1.445 12 residues pruned to eliminate duplicates Z: 7 2.611 1.363 0.163 0.320 1.000 0.500 C 0.820 Z: 13 4.819 1.354 0.309 0.527 0.917 0.583 CB 0.834 13 residues pruned to eliminate duplicates Z: 7 2.428 1.672 0.201 0.547 0.833 0.667 CB 0.565 Z: 12 4.881 1.934 0.017 0.502 0.636 0.545 CB 1.173 12 residues pruned to eliminate duplicates Z: 47 28.724 2.096 0.435 0.549 0.891 0.457 CB 1.507 47 residues pruned to eliminate duplicates Z: 16 10.031 1.863 0.321 0.360 0.800 0.400 CA 1.530 12 residues pruned to eliminate duplicates Z: 15 30.121 2.288 0.495 0.855 1.000 0.571 CA 1.736 15 residues pruned to eliminate duplicates Z: 13 6.541 1.610 0.303 0.523 0.833 0.750 CB 1.056 14 residues pruned to eliminate duplicates 7 1.955 1.310 0.314 0.344 0.833 0.667 CB 0.659 ? Z: 6 2.642 1.618 0.203 0.787 1.000 0.800 CB 0.472 6 residues pruned to eliminate duplicates Z: 28 20.162 2.163 0.429 0.399 0.926 0.519 CB 1.508 28 residues pruned to eliminate duplicates Z: 8 4.574 1.555 0.225 0.522 0.857 0.571 C 1.036 Z: 19 17.010 2.037 0.513 0.496 0.833 0.611 CB 1.567 19 residues pruned to eliminate duplicates Z: 12 20.272 2.078 0.780 0.886 0.909 0.727 CB 1.312 12 residues pruned to eliminate duplicates Z: 14 6.533 2.016 0.504 0.324 0.769 0.462 CB 0.943 15 residues pruned to eliminate duplicates Z: 20 33.486 2.231 0.711 0.916 1.000 0.579 CB 1.421 20 residues pruned to eliminate duplicates Z: 30 19.398 2.094 0.664 0.420 0.828 0.483 CB 1.358 30 residues pruned to eliminate duplicates Z: 9 15.711 2.075 0.415 0.703 1.000 0.750 CB 1.572 9 residues pruned to eliminate duplicates Z: 7 5.875 1.411 0.487 0.783 0.833 0.667 CA 1.069 Z: 6 4.276 1.692 0.093 0.543 0.800 0.600 N 1.239 6 residues pruned to eliminate duplicates Z: 8 6.528 1.690 0.547 0.401 0.857 0.714 CB 1.222 8 residues pruned to eliminate duplicates Z: 6 11.472 1.824 0.365 0.776 1.000 0.600 CA 1.615 6 residues pruned to eliminate duplicates Z: 6 4.394 1.826 0.539 0.398 0.600 0.600 CB 1.298 6 residues pruned to eliminate duplicates Z: 9 11.914 1.800 0.789 0.799 0.875 0.250 CA 1.151 9 residues pruned to eliminate duplicates 6 1.521 1.515 -0.136 0.299 1.000 0.400 CB 0.650 ? Z: 15 11.265 1.822 0.522 0.473 0.929 0.857 CB 1.202 15 residues pruned to eliminate duplicates Z: 34 28.198 1.940 0.400 0.724 0.939 0.788 CA 1.572 34 residues pruned to eliminate duplicates Z: 6 4.169 1.488 -0.031 0.640 1.000 0.600 N 1.133 6 residues pruned to eliminate duplicates Z: 10 10.763 1.753 0.882 0.569 0.778 0.667 CA 1.307 10 residues pruned to eliminate duplicates Z: 8 10.637 1.994 0.136 0.875 0.857 0.714 CB 1.506 8 residues pruned to eliminate duplicates Z: 23 31.833 1.940 0.561 0.877 1.000 0.727 CB 1.627 23 residues pruned to eliminate duplicates Z: 11 7.723 1.766 0.270 0.562 0.900 0.900 CA 1.139 11 residues pruned to eliminate duplicates Z: 13 11.163 1.832 0.329 0.540 1.000 0.583 CA 1.272 14 residues pruned to eliminate duplicates Z: 19 12.389 2.015 0.608 0.305 0.833 0.333 CB 1.344 20 residues pruned to eliminate duplicates Z: 30 32.050 2.041 0.460 0.773 0.966 0.862 CA 1.624 30 residues pruned to eliminate duplicates Z: 37 22.431 2.038 0.340 0.562 0.917 0.639 CB 1.407 32 residues pruned to eliminate duplicates Z: 21 12.091 1.905 0.286 0.389 0.850 0.650 CB 1.460 34 residues pruned to eliminate duplicates Z: 19 27.696 2.135 0.646 0.930 1.000 0.722 CA 1.299 19 residues pruned to eliminate duplicates Z: 24 28.315 2.138 0.704 0.581 0.957 0.348 CB 1.567 24 residues pruned to eliminate duplicates Z: 7 9.412 2.066 0.214 0.868 1.000 0.333 CB 1.120 7 residues pruned to eliminate duplicates Z: 11 12.389 1.972 0.381 0.546 0.900 0.600 N 1.528 11 residues pruned to eliminate duplicates Z: 11 8.003 1.624 0.334 0.651 1.000 0.500 CB 1.015 10 residues pruned to eliminate duplicates Z: 7 4.878 1.851 0.241 0.519 0.667 0.500 CB 1.275 Z: 40 24.577 2.007 0.637 0.575 0.872 0.487 CA 1.278 40 residues pruned to eliminate duplicates Z: 6 4.132 1.319 0.286 0.671 1.000 0.800 CB 0.930 Z: 12 11.297 1.917 0.418 0.586 0.818 0.636 CA 1.410 11 residues pruned to eliminate duplicates Z: 6 17.084 2.091 1.159 0.772 1.000 0.800 CA 1.332 6 residues pruned to eliminate duplicates Z: 9 7.898 1.712 0.492 0.886 0.875 0.125 CB 0.901 10 residues pruned to eliminate duplicates Z: 7 3.136 1.391 0.054 0.513 1.000 0.500 CB 0.862 Z: 6 11.448 1.802 0.528 0.770 1.000 1.000 CA 1.464 8 residues pruned to eliminate duplicates Z: 9 4.719 1.470 0.211 0.365 1.000 0.500 CA 1.083 9 residues pruned to eliminate duplicates Z: 12 14.058 2.107 0.107 0.678 1.000 0.818 CB 1.544 12 residues pruned to eliminate duplicates Z: 21 16.096 1.891 0.622 0.805 0.900 0.750 CA 0.999 21 residues pruned to eliminate duplicates Z: 6 5.234 1.395 0.359 0.815 1.000 0.600 CB 0.939 Z: 39 40.346 2.132 0.722 0.721 0.974 0.789 CB 1.499 39 residues pruned to eliminate duplicates 6 1.619 1.693 0.390 0.501 0.800 0.400 CB 0.384 ? Z: 6 6.385 1.644 0.502 0.758 0.800 0.600 N 1.149 6 residues pruned to eliminate duplicates Z: 28 21.988 2.153 0.614 0.452 0.889 0.556 CB 1.439 28 residues pruned to eliminate duplicates Z: 16 10.181 1.782 0.526 0.265 0.867 0.467 N 1.457 16 residues pruned to eliminate duplicates Z: 9 2.649 1.430 0.133 0.191 0.750 0.375 CB 1.116 Z: 28 22.856 2.097 0.353 0.602 0.852 0.593 CB 1.652 28 residues pruned to eliminate duplicates Z: 16 16.061 2.056 0.488 0.559 0.867 0.533 CB 1.478 16 residues pruned to eliminate duplicates Z: 15 8.513 1.927 0.521 0.368 0.786 0.429 CA 1.138 15 residues pruned to eliminate duplicates Z: 10 4.548 1.611 0.612 0.295 0.667 0.333 CA 1.102 Z: 6 2.011 1.125 0.079 0.476 1.000 0.600 O 0.759 Z: 9 6.133 1.473 0.739 0.577 0.875 0.625 CA 0.898 9 residues pruned to eliminate duplicates Z: 8 3.538 1.671 0.215 0.441 0.714 0.429 CB 0.980 8 residues pruned to eliminate duplicates Z: 12 17.459 2.015 0.556 0.625 1.000 0.727 CB 1.493 12 residues pruned to eliminate duplicates Z: 6 3.602 1.382 0.039 0.491 1.000 0.800 N 1.132 7 residues pruned to eliminate duplicates Z: 10 5.433 2.050 0.004 0.413 0.889 0.556 CB 1.084 10 residues pruned to eliminate duplicates Z: 10 13.976 2.018 0.356 0.890 1.000 0.778 CB 1.225 10 residues pruned to eliminate duplicates Z: 7 2.035 1.330 0.342 0.324 0.833 0.500 CA 0.678 Z: 9 5.626 1.745 0.306 0.504 0.875 0.750 CB 0.994 9 residues pruned to eliminate duplicates Z: 11 11.636 2.086 0.740 0.525 0.800 0.700 CA 1.236 11 residues pruned to eliminate duplicates Z: 29 17.982 2.182 0.531 0.322 0.821 0.464 CB 1.507 29 residues pruned to eliminate duplicates Z: 10 7.942 1.701 0.184 0.519 1.000 0.667 CB 1.289 10 residues pruned to eliminate duplicates Z: 23 34.769 2.174 0.669 0.909 0.955 0.318 CB 1.519 23 residues pruned to eliminate duplicates Z: 8 5.059 1.439 0.831 0.429 0.857 0.714 CB 0.911 Z: 57 37.684 2.068 0.597 0.523 0.946 0.643 CA 1.575 58 residues pruned to eliminate duplicates Z: 10 8.354 1.793 0.277 0.682 0.889 0.778 CB 1.158 10 residues pruned to eliminate duplicates Z: 6 2.980 1.390 0.250 0.490 0.800 0.600 CA 0.969 6 residues pruned to eliminate duplicates Z: 11 10.110 1.917 0.281 0.612 1.000 0.700 CB 1.171 11 residues pruned to eliminate duplicates Z: 31 15.030 1.817 0.642 0.301 0.867 0.567 CB 1.325 31 residues pruned to eliminate duplicates Z: 10 5.437 1.763 0.351 0.381 0.778 0.556 CB 1.111 Z: 21 12.875 1.889 0.657 0.292 0.800 0.300 CA 1.451 21 residues pruned to eliminate duplicates Z: 7 2.918 1.692 -0.087 0.339 0.667 0.333 N 1.379 7 residues pruned to eliminate duplicates 7 1.573 1.364 0.103 0.250 0.667 0.333 CB 0.853 ? Z: 8 2.708 1.678 0.111 0.449 0.714 0.429 CA 0.809 8 residues pruned to eliminate duplicates Z: 13 5.926 1.676 0.193 0.465 0.833 0.667 CB 1.064 12 residues pruned to eliminate duplicates Z: 8 5.177 1.553 0.270 0.557 0.714 0.714 CB 1.313 8 residues pruned to eliminate duplicates Z: 9 7.467 1.732 0.540 0.512 0.750 0.625 CB 1.304 9 residues pruned to eliminate duplicates Z: 8 9.592 1.974 0.453 0.640 0.857 0.714 CA 1.293 9 residues pruned to eliminate duplicates Z: 25 18.039 2.004 0.640 0.543 0.833 0.417 CA 1.289 25 residues pruned to eliminate duplicates Z: 6 3.772 1.402 0.467 0.544 0.800 0.400 CB 0.982 Z: 6 2.463 1.385 0.170 0.293 1.000 0.600 N 0.858 Z: 7 2.915 1.760 0.005 0.288 1.000 0.667 CA 0.853 7 residues pruned to eliminate duplicates Z: 38 20.861 2.061 0.511 0.344 0.838 0.486 CB 1.557 38 residues pruned to eliminate duplicates Z: 12 4.475 1.671 0.298 0.247 0.636 0.455 CA 1.309 12 residues pruned to eliminate duplicates Z: 6 3.328 1.461 0.445 0.364 0.800 0.400 CB 1.020 Z: 7 9.286 1.614 1.101 0.737 0.833 0.667 CB 1.085 7 residues pruned to eliminate duplicates Z: 6 5.626 1.671 -0.022 0.604 1.000 1.000 CA 1.395 6 residues pruned to eliminate duplicates Z: 18 5.397 1.648 0.127 0.325 0.706 0.471 CA 1.210 Z: 6 5.737 1.545 0.492 0.672 0.800 0.600 C 1.187 Z: 9 4.073 1.552 0.010 0.511 0.875 0.625 CB 1.038 Z: 14 21.907 2.016 0.813 0.862 1.000 0.692 CA 1.220 14 residues pruned to eliminate duplicates Z: 7 2.375 1.244 0.586 0.228 0.833 0.667 CA 0.810 Z: 8 2.919 1.615 0.147 0.155 0.714 0.286 CB 1.272 8 residues pruned to eliminate duplicates Z: 13 21.721 1.912 0.674 0.860 1.000 0.833 CA 1.440 13 residues pruned to eliminate duplicates Z: 8 9.926 2.075 -0.004 0.881 1.000 0.429 CB 1.315 9 residues pruned to eliminate duplicates Z: 6 5.019 1.355 0.398 0.776 1.000 0.400 CB 0.928 Z: 30 35.245 2.185 0.708 0.680 0.966 0.414 CB 1.539 30 residues pruned to eliminate duplicates 6 1.942 1.143 0.211 0.461 0.800 0.400 N 0.815 ? Z: 10 8.131 1.764 0.622 0.472 0.778 0.556 CA 1.253 10 residues pruned to eliminate duplicates Z: 7 2.801 1.344 0.391 0.249 1.000 0.833 CA 0.817 Z: 22 17.369 1.994 0.492 0.481 0.857 0.524 CA 1.515 22 residues pruned to eliminate duplicates Z: 6 4.451 1.179 0.584 0.666 1.000 0.800 O 0.914 Z: 6 4.391 1.683 0.286 0.634 0.800 0.800 CB 1.000 Z: 7 3.835 1.717 0.057 0.434 0.833 0.333 CA 1.108 7 residues pruned to eliminate duplicates Z: 6 3.621 1.543 0.003 0.651 0.800 0.600 CA 1.136 Z: 12 7.064 1.502 0.009 0.573 1.000 0.727 N 1.310 6 residues pruned to eliminate duplicates Z: 13 6.641 1.797 0.476 0.202 0.750 0.250 CB 1.372 13 residues pruned to eliminate duplicates Z: 16 16.870 2.061 0.503 0.569 0.933 0.600 CA 1.410 16 residues pruned to eliminate duplicates Z: 12 7.183 1.748 0.404 0.404 0.818 0.636 CA 1.193 12 residues pruned to eliminate duplicates Z: 7 2.017 1.368 0.241 0.248 0.667 0.500 N 0.973 Z: 9 3.873 1.423 0.349 0.614 0.750 0.750 CB 0.854 5 residues pruned to eliminate duplicates Z: 8 7.472 1.553 0.616 0.514 0.857 0.571 CB 1.295 8 residues pruned to eliminate duplicates Z: 8 3.809 1.784 0.757 0.071 0.714 0.429 CB 1.125 8 residues pruned to eliminate duplicates 6 1.644 1.423 0.384 0.132 0.600 0.200 CB 0.985 ? Z: 10 3.368 1.358 0.226 0.334 0.778 0.444 CA 1.040 10 residues pruned to eliminate duplicates 6 1.760 1.426 0.662 0.404 0.600 0.400 CB 0.612 ? Z: 11 7.842 1.679 0.394 0.515 0.800 0.500 CA 1.304 9 1.279 1.250 -0.018 0.282 0.750 0.500 CB 0.628 ? Z: 11 12.684 1.941 0.383 0.515 0.900 0.600 N 1.635 9 residues pruned to eliminate duplicates Z: 20 20.266 2.154 0.542 0.564 0.842 0.526 CA 1.562 20 residues pruned to eliminate duplicates Z: 44 35.273 2.142 0.411 0.645 1.000 0.791 CA 1.555 44 residues pruned to eliminate duplicates Z: 17 12.338 1.951 0.241 0.445 0.875 0.562 CB 1.540 17 residues pruned to eliminate duplicates Z: 6 2.555 1.484 -0.110 0.473 1.000 0.400 CB 0.890 Z: 11 5.481 1.562 0.385 0.467 0.900 0.400 N 0.921 12 residues pruned to eliminate duplicates Z: 7 2.466 1.355 0.414 0.444 0.667 0.333 CB 0.834 7 residues pruned to eliminate duplicates Z: 20 33.944 2.059 0.726 0.914 0.947 0.368 CB 1.635 20 residues pruned to eliminate duplicates Z: 12 10.557 1.929 0.097 0.661 1.000 0.818 CA 1.296 12 residues pruned to eliminate duplicates Z: 6 2.356 1.398 -0.065 0.644 1.000 0.400 O 0.705 Z: 7 3.336 1.645 0.287 0.496 0.833 0.500 CB 0.775 Z: 6 6.030 1.460 0.117 0.763 1.000 0.800 C 1.309 Z: 8 6.159 1.314 0.920 0.504 1.000 0.714 CB 0.919 7 1.596 1.357 0.284 0.083 0.667 0.167 CB 0.962 ? Z: 6 3.700 1.245 0.388 0.542 1.000 0.800 O 0.919 Z: 9 5.253 1.581 0.530 0.454 0.875 0.750 CB 0.920 9 residues pruned to eliminate duplicates Z: 7 4.870 1.786 -0.121 0.383 1.000 1.000 CB 1.434 7 residues pruned to eliminate duplicates Z: 9 2.329 1.561 -0.004 0.237 0.750 0.375 CB 0.957 9 residues pruned to eliminate duplicates Z: 22 16.159 2.024 0.571 0.423 0.905 0.667 CA 1.328 22 residues pruned to eliminate duplicates Z: 6 4.234 1.574 0.770 0.608 1.000 0.600 CB 0.613 Z: 15 7.585 1.613 0.435 0.405 0.786 0.357 CB 1.231 15 residues pruned to eliminate duplicates Z: 33 22.216 1.951 0.624 0.618 0.906 0.531 CA 1.224 41 residues pruned to eliminate duplicates Z: 13 8.174 1.600 0.325 0.408 0.917 0.417 O 1.337 6 residues pruned to eliminate duplicates Z: 6 2.602 1.366 0.413 0.306 0.800 0.400 CA 0.935 Z: 12 14.309 2.002 0.462 0.594 1.000 0.909 CB 1.348 12 residues pruned to eliminate duplicates Z: 8 2.935 1.534 0.109 0.329 0.857 0.571 C 0.917 Z: 13 20.141 2.212 0.615 0.904 1.000 0.917 CB 1.159 13 residues pruned to eliminate duplicates 6 1.949 1.241 0.807 0.338 0.800 0.600 CA 0.579 ? Z: 6 5.426 1.430 0.779 0.485 1.000 0.600 CB 0.968 Z: 6 2.992 1.430 0.028 0.456 0.800 0.400 N 1.191 Z: 6 2.210 1.485 0.012 0.402 0.600 0.200 CA 1.216 Z: 20 13.348 1.910 0.310 0.613 0.895 0.579 CB 1.229 20 residues pruned to eliminate duplicates Z: 9 8.073 2.116 0.726 0.348 0.750 0.375 CB 1.229 10 residues pruned to eliminate duplicates Z: 7 6.716 1.724 0.436 0.729 1.000 0.833 CA 0.901 7 residues pruned to eliminate duplicates 8 1.860 1.450 0.511 0.252 0.714 0.429 CB 0.597 ? Z: 6 2.044 1.423 0.484 0.449 0.800 0.400 CA 0.570 6 0.665 1.406 0.748 0.244 0.800 0.400 CB 0.203 ? 7 1.610 1.381 0.154 0.238 0.833 0.500 CB 0.671 ? Z: 11 8.439 1.724 0.531 0.578 0.900 0.700 CB 1.043 7 residues pruned to eliminate duplicates Z: 6 4.221 1.528 0.765 0.655 0.600 0.600 C 1.010 6 residues pruned to eliminate duplicates 7 1.576 1.533 -0.010 0.083 0.833 0.167 CB 0.873 ? Z: 6 2.326 1.373 0.314 0.286 0.800 0.600 CB 0.917 Z: 13 4.685 1.790 0.059 0.397 0.833 0.667 CA 0.956 13 residues pruned to eliminate duplicates Z: 10 8.854 1.984 0.227 0.491 0.778 0.667 CA 1.573 17 residues pruned to eliminate duplicates Z: 11 2.314 1.573 0.101 0.158 0.600 0.300 CB 1.071 11 residues pruned to eliminate duplicates Z: 10 9.808 1.830 0.474 0.421 0.889 0.667 CB 1.481 8 residues pruned to eliminate duplicates Z: 28 17.733 2.133 0.464 0.365 0.889 0.556 CA 1.420 28 residues pruned to eliminate duplicates Z: 22 12.115 1.898 0.526 0.376 0.762 0.476 CB 1.368 22 residues pruned to eliminate duplicates Z: 12 18.139 2.055 0.741 0.604 1.000 0.818 CB 1.385 16 residues pruned to eliminate duplicates Z: 10 6.265 1.795 0.167 0.527 0.889 0.778 CA 1.092 9 residues pruned to eliminate duplicates Z: 6 4.160 1.856 -0.205 0.472 0.800 0.600 O 1.622 Z: 7 2.390 1.828 0.135 0.372 0.667 0.167 CA 0.808 14 residues pruned to eliminate duplicates Z: 10 4.327 1.620 0.882 0.402 0.778 0.444 CB 0.674 10 residues pruned to eliminate duplicates Z: 8 6.519 1.541 0.279 0.876 1.000 0.857 CA 0.909 8 residues pruned to eliminate duplicates Z: 29 28.893 2.120 0.556 0.724 0.893 0.679 CA 1.514 29 residues pruned to eliminate duplicates Z: 24 9.295 1.929 0.338 0.168 0.783 0.478 CB 1.437 24 residues pruned to eliminate duplicates 6 0.933 1.440 -0.117 0.297 0.600 0.400 CB 0.686 ? 7 1.031 1.198 0.093 0.453 0.833 0.500 C 0.405 ? Z: 14 7.099 1.828 -0.029 0.411 0.923 0.462 CB 1.320 14 residues pruned to eliminate duplicates Z: 8 7.020 1.687 0.855 0.422 1.000 0.429 CB 0.920 8 residues pruned to eliminate duplicates Z: 6 3.011 1.524 0.005 0.352 1.000 0.600 O 1.031 Z: 17 36.434 2.283 0.980 0.935 0.875 0.438 CB 1.605 17 residues pruned to eliminate duplicates Z: 11 17.675 1.777 0.600 0.763 1.000 1.000 CA 1.556 11 residues pruned to eliminate duplicates Z: 7 3.373 1.617 -0.052 0.550 0.833 0.667 C 1.027 Z: 12 5.505 1.553 0.578 0.305 0.818 0.364 CA 1.028 12 residues pruned to eliminate duplicates Z: 7 5.753 1.530 0.436 0.661 1.000 0.833 CB 0.920 9 residues pruned to eliminate duplicates Z: 6 3.354 1.484 0.115 0.540 0.800 0.600 O 1.089 6 residues pruned to eliminate duplicates Z: 14 6.273 1.590 0.451 0.317 0.846 0.462 CB 1.091 Z: 8 7.101 1.590 0.295 0.692 1.000 0.857 CB 1.093 Z: 26 11.683 1.856 0.438 0.338 0.840 0.440 CB 1.244 26 residues pruned to eliminate duplicates Z: 12 8.733 1.880 0.268 0.626 0.818 0.727 CA 1.199 Using tripeptides from previous cycle as seeds Z: 6 3.804 1.422 1.154 0.375 1.000 0.600 CA 0.635 6 residues pruned to eliminate duplicates Z: 9 10.811 1.804 1.073 0.410 0.875 0.625 CB 1.284 9 residues pruned to eliminate duplicates Z: 9 9.165 2.019 0.792 0.371 0.750 0.625 CB 1.370 9 residues pruned to eliminate duplicates Z: 21 11.441 1.919 0.680 0.287 0.800 0.550 CB 1.261 21 residues pruned to eliminate duplicates Z: 20 11.375 1.911 0.619 0.282 0.789 0.579 CB 1.365 20 residues pruned to eliminate duplicates Z: 20 10.249 1.932 0.523 0.222 0.789 0.474 CB 1.402 20 residues pruned to eliminate duplicates Z: 21 10.880 1.857 0.583 0.241 0.750 0.500 CB 1.489 21 residues pruned to eliminate duplicates Z: 24 13.317 1.935 0.478 0.354 0.783 0.565 CB 1.453 24 residues pruned to eliminate duplicates Z: 11 8.219 1.858 0.538 0.281 0.900 0.400 CB 1.295 11 residues pruned to eliminate duplicates Z: 15 10.478 1.778 0.570 0.310 0.857 0.571 CB 1.444 15 residues pruned to eliminate duplicates Z: 21 10.086 1.637 0.583 0.278 0.800 0.600 N 1.399 21 residues pruned to eliminate duplicates Z: 29 14.721 1.985 0.409 0.261 0.821 0.607 CB 1.591 29 residues pruned to eliminate duplicates Z: 20 9.288 1.935 0.175 0.394 0.789 0.579 CB 1.327 20 residues pruned to eliminate duplicates Z: 15 10.449 1.943 0.432 0.355 0.857 0.571 CB 1.370 15 residues pruned to eliminate duplicates Z: 29 11.152 1.957 0.126 0.366 0.821 0.500 CB 1.344 29 residues pruned to eliminate duplicates Z: 23 13.172 1.965 0.430 0.338 0.818 0.682 CB 1.459 23 residues pruned to eliminate duplicates Z: 19 6.364 1.774 0.288 0.173 0.722 0.500 CB 1.350 19 residues pruned to eliminate duplicates Z: 18 7.247 1.863 0.347 0.231 0.824 0.588 CB 1.164 18 residues pruned to eliminate duplicates Z: 13 7.079 1.869 0.124 0.416 0.750 0.500 CB 1.416 13 residues pruned to eliminate duplicates Z: 11 9.637 2.073 0.327 0.457 0.800 0.500 CA 1.446 7 residues pruned to eliminate duplicates Z: 6 3.116 1.597 0.245 0.387 0.800 0.600 CA 0.988 Z: 6 5.390 1.742 0.449 0.387 0.800 0.600 C 1.347 6 residues pruned to eliminate duplicates Z: 17 12.615 1.768 0.483 0.439 0.938 0.500 CA 1.366 19 residues pruned to eliminate duplicates Z: 6 5.410 1.668 0.419 0.297 1.000 0.600 CA 1.282 6 residues pruned to eliminate duplicates Z: 15 18.396 1.805 0.814 0.506 1.000 0.643 CA 1.493 16 residues pruned to eliminate duplicates Z: 6 6.040 1.621 0.315 0.500 1.000 0.400 N 1.268 6 residues pruned to eliminate duplicates Z: 13 13.798 2.026 0.328 0.628 0.917 0.917 CA 1.432 12 residues pruned to eliminate duplicates Z: 6 6.713 2.108 0.203 0.404 1.000 0.400 CA 1.309 6 residues pruned to eliminate duplicates Z: 12 17.620 2.105 0.333 0.712 1.000 0.909 CA 1.562 13 residues pruned to eliminate duplicates Z: 6 3.053 1.545 0.583 0.248 0.600 0.400 C 1.244 6 residues pruned to eliminate duplicates Z: 31 21.965 2.188 0.448 0.387 0.900 0.500 CB 1.586 31 residues pruned to eliminate duplicates Z: 28 23.545 2.253 0.581 0.386 0.889 0.556 CB 1.615 28 residues pruned to eliminate duplicates Z: 29 23.522 2.209 0.574 0.397 0.893 0.536 CB 1.596 29 residues pruned to eliminate duplicates Z: 28 21.572 2.251 0.513 0.357 0.889 0.519 CB 1.601 28 residues pruned to eliminate duplicates Z: 30 22.261 2.125 0.601 0.390 0.897 0.448 CB 1.522 30 residues pruned to eliminate duplicates Z: 28 24.990 2.252 0.591 0.372 0.926 0.593 CB 1.663 28 residues pruned to eliminate duplicates Z: 31 24.581 2.136 0.709 0.349 0.867 0.500 CB 1.671 31 residues pruned to eliminate duplicates Z: 29 28.070 2.252 0.735 0.366 0.964 0.536 CB 1.626 29 residues pruned to eliminate duplicates Z: 30 23.749 2.192 0.671 0.367 0.862 0.552 CB 1.611 30 residues pruned to eliminate duplicates Z: 30 21.952 2.200 0.491 0.384 0.897 0.586 CB 1.568 30 residues pruned to eliminate duplicates Z: 33 22.650 2.055 0.626 0.373 0.875 0.438 CB 1.570 33 residues pruned to eliminate duplicates Z: 29 24.449 2.228 0.650 0.391 0.857 0.464 CB 1.644 29 residues pruned to eliminate duplicates Z: 32 20.610 2.126 0.533 0.370 0.839 0.484 CB 1.557 32 residues pruned to eliminate duplicates Z: 35 22.711 2.042 0.590 0.368 0.912 0.500 CB 1.515 35 residues pruned to eliminate duplicates Z: 28 23.370 2.263 0.487 0.369 0.926 0.481 CB 1.661 28 residues pruned to eliminate duplicates Z: 30 25.494 2.216 0.724 0.371 0.862 0.517 CA 1.649 30 residues pruned to eliminate duplicates Z: 27 17.008 2.214 0.479 0.347 0.769 0.462 CB 1.564 27 residues pruned to eliminate duplicates Z: 20 14.607 2.106 0.522 0.374 0.895 0.421 CB 1.336 20 residues pruned to eliminate duplicates Z: 34 21.386 2.069 0.566 0.384 0.879 0.333 CB 1.478 34 residues pruned to eliminate duplicates Z: 31 19.942 2.157 0.506 0.325 0.867 0.467 CB 1.567 31 residues pruned to eliminate duplicates Z: 29 23.040 2.217 0.530 0.379 0.857 0.536 CB 1.704 29 residues pruned to eliminate duplicates Z: 29 29.244 2.229 0.890 0.390 0.893 0.536 CB 1.650 29 residues pruned to eliminate duplicates Z: 28 17.744 2.149 0.490 0.314 0.778 0.407 CB 1.685 28 residues pruned to eliminate duplicates Z: 28 23.180 2.185 0.587 0.339 0.963 0.444 CA 1.592 28 residues pruned to eliminate duplicates Z: 52 28.230 2.162 0.600 0.339 0.882 0.490 CB 1.543 52 residues pruned to eliminate duplicates Z: 64 27.490 2.124 0.479 0.352 0.841 0.460 CB 1.538 64 residues pruned to eliminate duplicates Z: 42 25.676 2.182 0.566 0.311 0.927 0.439 CB 1.562 42 residues pruned to eliminate duplicates Z: 46 24.972 2.188 0.564 0.319 0.844 0.533 CB 1.573 46 residues pruned to eliminate duplicates Z: 44 24.255 2.140 0.670 0.323 0.860 0.581 CA 1.462 44 residues pruned to eliminate duplicates Z: 45 26.145 2.166 0.642 0.323 0.864 0.455 CB 1.559 45 residues pruned to eliminate duplicates Z: 58 30.977 2.192 0.546 0.353 0.877 0.561 CB 1.619 58 residues pruned to eliminate duplicates Z: 24 14.647 2.031 0.387 0.389 0.870 0.609 CB 1.403 24 residues pruned to eliminate duplicates Z: 31 20.226 2.131 0.568 0.316 0.900 0.533 CB 1.505 31 residues pruned to eliminate duplicates Z: 52 32.890 2.241 0.547 0.368 0.922 0.529 CB 1.661 52 residues pruned to eliminate duplicates Z: 57 30.316 2.196 0.607 0.347 0.839 0.446 CB 1.614 57 residues pruned to eliminate duplicates Z: 45 30.084 2.188 0.629 0.371 0.932 0.477 CB 1.567 45 residues pruned to eliminate duplicates Z: 42 25.261 2.208 0.588 0.301 0.878 0.512 CA 1.599 42 residues pruned to eliminate duplicates Z: 58 29.848 2.192 0.477 0.333 0.877 0.474 CA 1.671 58 residues pruned to eliminate duplicates Z: 30 24.159 2.108 0.707 0.399 0.897 0.448 CB 1.548 30 residues pruned to eliminate duplicates Z: 59 33.046 2.136 0.599 0.385 0.897 0.483 CB 1.601 59 residues pruned to eliminate duplicates Z: 57 30.467 2.191 0.503 0.353 0.893 0.500 CB 1.624 57 residues pruned to eliminate duplicates Z: 60 30.412 2.168 0.587 0.322 0.864 0.475 CB 1.621 58 residues pruned to eliminate duplicates Z: 55 30.545 2.192 0.539 0.333 0.889 0.463 CA 1.664 55 residues pruned to eliminate duplicates Z: 22 15.745 2.118 0.502 0.410 0.905 0.619 CA 1.311 22 residues pruned to eliminate duplicates Z: 19 14.454 1.996 0.600 0.334 0.778 0.444 CB 1.644 19 residues pruned to eliminate duplicates Z: 57 30.126 2.172 0.487 0.341 0.911 0.554 CB 1.628 57 residues pruned to eliminate duplicates Z: 23 15.136 2.118 0.547 0.378 0.864 0.545 CA 1.299 23 residues pruned to eliminate duplicates Z: 46 24.468 2.157 0.487 0.363 0.867 0.556 CA 1.520 46 residues pruned to eliminate duplicates Z: 18 14.208 2.063 0.362 0.334 0.882 0.353 CB 1.667 18 residues pruned to eliminate duplicates Z: 32 17.349 2.079 0.373 0.351 0.839 0.419 CB 1.529 32 residues pruned to eliminate duplicates Z: 59 27.831 2.157 0.532 0.323 0.862 0.500 CA 1.559 59 residues pruned to eliminate duplicates Z: 94 44.986 2.205 0.420 0.496 0.935 0.656 CA 1.599 94 residues pruned to eliminate duplicates Z: 61 28.730 2.191 0.406 0.336 0.900 0.517 CA 1.601 61 residues pruned to eliminate duplicates Z: 57 26.817 2.114 0.410 0.341 0.893 0.536 CB 1.600 57 residues pruned to eliminate duplicates Z: 65 30.145 2.163 0.462 0.342 0.875 0.516 CA 1.617 65 residues pruned to eliminate duplicates Z: 67 42.086 2.209 0.490 0.573 0.879 0.667 CA 1.670 67 residues pruned to eliminate duplicates Z: 52 41.119 2.209 0.503 0.656 0.961 0.725 CA 1.561 52 residues pruned to eliminate duplicates Z: 72 35.921 2.142 0.341 0.540 0.873 0.549 CA 1.633 72 residues pruned to eliminate duplicates Z: 10 6.922 2.015 0.085 0.363 0.667 0.222 N 1.834 10 residues pruned to eliminate duplicates Z: 37 17.855 2.124 0.208 0.357 0.861 0.444 CA 1.571 37 residues pruned to eliminate duplicates Z: 79 44.677 2.188 0.434 0.541 0.949 0.667 CA 1.632 79 residues pruned to eliminate duplicates Z: 11 7.005 2.089 0.008 0.337 0.700 0.200 CA 1.796 11 residues pruned to eliminate duplicates Z: 81 39.971 2.174 0.467 0.445 0.913 0.562 CA 1.624 81 residues pruned to eliminate duplicates Z: 68 40.294 2.199 0.439 0.553 0.896 0.597 CA 1.650 68 residues pruned to eliminate duplicates Z: 56 44.650 2.236 0.540 0.611 0.964 0.691 CB 1.634 56 residues pruned to eliminate duplicates Z: 44 39.593 2.240 0.418 0.675 1.000 0.674 CA 1.617 44 residues pruned to eliminate duplicates Z: 45 41.308 2.201 0.569 0.681 0.955 0.682 CA 1.599 45 residues pruned to eliminate duplicates Z: 54 42.151 2.181 0.533 0.625 0.943 0.660 CA 1.631 54 residues pruned to eliminate duplicates Z: 55 43.756 2.233 0.581 0.614 0.926 0.704 CA 1.636 55 residues pruned to eliminate duplicates Z: 42 43.564 2.192 0.582 0.715 1.000 0.707 CA 1.614 42 residues pruned to eliminate duplicates Z: 43 40.446 2.253 0.467 0.703 0.976 0.786 CA 1.607 43 residues pruned to eliminate duplicates Z: 44 41.078 2.205 0.468 0.708 1.000 0.721 CA 1.602 44 residues pruned to eliminate duplicates Z: 41 48.033 2.286 0.642 0.730 0.975 0.725 CB 1.687 41 residues pruned to eliminate duplicates Z: 54 37.506 2.154 0.501 0.602 0.943 0.585 CB 1.533 54 residues pruned to eliminate duplicates Z: 45 39.068 2.219 0.512 0.674 0.955 0.636 CB 1.567 45 residues pruned to eliminate duplicates Z: 43 43.319 2.242 0.507 0.712 1.000 0.595 CA 1.632 43 residues pruned to eliminate duplicates Z: 43 41.935 2.223 0.504 0.711 0.976 0.548 CB 1.637 43 residues pruned to eliminate duplicates Z: 44 43.473 2.207 0.525 0.698 1.000 0.581 CA 1.645 44 residues pruned to eliminate duplicates Z: 46 35.950 2.219 0.432 0.656 0.956 0.489 CB 1.527 46 residues pruned to eliminate duplicates Z: 44 42.013 2.236 0.544 0.684 0.977 0.605 CB 1.604 44 residues pruned to eliminate duplicates Z: 25 31.541 2.226 0.724 0.634 0.875 0.500 CB 1.691 25 residues pruned to eliminate duplicates Z: 51 42.500 2.192 0.657 0.647 0.940 0.520 CB 1.534 52 residues pruned to eliminate duplicates Z: 20 33.796 2.295 0.675 0.894 0.895 0.368 CB 1.618 20 residues pruned to eliminate duplicates Z: 31 35.970 2.195 0.574 0.779 0.967 0.633 CB 1.537 31 residues pruned to eliminate duplicates Z: 54 36.500 2.174 0.438 0.600 0.887 0.415 CB 1.644 54 residues pruned to eliminate duplicates Z: 41 45.868 2.292 0.540 0.733 1.000 0.650 CB 1.666 41 residues pruned to eliminate duplicates Z: 31 32.784 2.207 0.643 0.761 0.900 0.467 CB 1.455 31 residues pruned to eliminate duplicates Z: 41 38.811 2.145 0.661 0.665 0.925 0.600 CB 1.599 41 residues pruned to eliminate duplicates Z: 41 43.490 2.279 0.711 0.653 0.950 0.500 CB 1.610 41 residues pruned to eliminate duplicates Z: 33 43.737 2.302 0.729 0.784 0.938 0.594 CB 1.614 33 residues pruned to eliminate duplicates Z: 54 41.186 2.237 0.512 0.609 0.925 0.509 CB 1.631 54 residues pruned to eliminate duplicates Z: 57 42.405 2.200 0.574 0.580 0.929 0.518 CB 1.631 57 residues pruned to eliminate duplicates Z: 41 43.135 2.272 0.715 0.628 0.950 0.525 CB 1.634 41 residues pruned to eliminate duplicates Z: 19 14.123 2.050 0.368 0.509 0.778 0.444 CB 1.512 19 residues pruned to eliminate duplicates Z: 28 20.093 2.129 0.290 0.683 0.815 0.481 CB 1.460 28 residues pruned to eliminate duplicates Z: 33 24.289 2.103 0.559 0.463 0.906 0.438 CB 1.501 32 residues pruned to eliminate duplicates Z: 54 44.481 2.213 0.601 0.602 0.981 0.528 CA 1.595 54 residues pruned to eliminate duplicates Z: 18 17.507 2.042 0.349 0.639 0.941 0.588 CB 1.438 18 residues pruned to eliminate duplicates Z: 15 13.367 2.171 0.082 0.631 0.857 0.714 CB 1.569 15 residues pruned to eliminate duplicates Z: 42 32.430 2.162 0.599 0.556 0.902 0.463 CB 1.539 42 residues pruned to eliminate duplicates Z: 16 16.211 2.096 0.280 0.620 0.933 0.467 CB 1.492 16 residues pruned to eliminate duplicates Z: 44 44.715 2.228 0.607 0.678 1.000 0.698 CB 1.617 44 residues pruned to eliminate duplicates Z: 43 29.685 2.151 0.614 0.670 0.833 0.357 CB 1.353 43 residues pruned to eliminate duplicates Z: 54 39.339 2.149 0.569 0.596 0.962 0.453 CB 1.519 54 residues pruned to eliminate duplicates Z: 46 28.081 2.093 0.562 0.511 0.867 0.533 CB 1.461 46 residues pruned to eliminate duplicates Z: 53 39.711 2.171 0.538 0.630 0.942 0.519 CB 1.549 53 residues pruned to eliminate duplicates Z: 12 13.522 2.215 0.178 0.617 1.000 0.455 CB 1.399 12 residues pruned to eliminate duplicates Z: 27 25.147 2.222 0.436 0.516 1.000 0.615 CB 1.522 27 residues pruned to eliminate duplicates Z: 13 9.996 2.039 0.496 0.267 0.833 0.417 CB 1.481 13 residues pruned to eliminate duplicates Z: 27 24.612 2.185 0.586 0.496 0.885 0.538 CB 1.581 27 residues pruned to eliminate duplicates Z: 32 22.407 2.110 0.410 0.489 0.935 0.613 CB 1.462 32 residues pruned to eliminate duplicates Z: 13 11.115 2.092 0.701 0.275 0.833 0.333 CB 1.395 13 residues pruned to eliminate duplicates Z: 42 40.160 2.229 0.716 0.634 0.902 0.439 CB 1.603 42 residues pruned to eliminate duplicates Z: 13 14.379 2.052 0.812 0.306 0.917 0.333 CB 1.512 13 residues pruned to eliminate duplicates Z: 12 15.599 2.170 0.712 0.294 1.000 0.273 CA 1.595 12 residues pruned to eliminate duplicates Z: 55 46.573 2.255 0.577 0.624 0.963 0.556 CB 1.647 55 residues pruned to eliminate duplicates Z: 51 42.178 2.188 0.681 0.628 0.980 0.460 CB 1.467 51 residues pruned to eliminate duplicates Z: 29 27.836 2.133 0.712 0.503 0.964 0.571 CB 1.490 33 residues pruned to eliminate duplicates Z: 7 5.310 1.937 0.429 0.329 0.833 0.333 CB 1.133 Z: 6 3.088 1.678 -0.076 0.309 1.000 1.000 CA 1.101 6 residues pruned to eliminate duplicates Z: 9 17.834 2.249 0.479 0.587 1.000 0.750 CA 1.744 9 residues pruned to eliminate duplicates Z: 12 10.470 1.820 0.521 0.513 0.909 0.545 CB 1.238 12 residues pruned to eliminate duplicates Z: 13 11.062 1.906 0.596 0.213 1.000 0.417 CB 1.473 13 residues pruned to eliminate duplicates Z: 58 40.053 2.083 0.646 0.532 0.965 0.667 CB 1.554 58 residues pruned to eliminate duplicates Z: 57 44.200 2.091 0.704 0.569 1.000 0.750 CA 1.551 57 residues pruned to eliminate duplicates Z: 14 11.679 1.818 0.540 0.395 0.923 0.462 CA 1.400 14 residues pruned to eliminate duplicates Z: 54 35.390 2.081 0.660 0.490 0.925 0.547 CA 1.537 53 residues pruned to eliminate duplicates Z: 9 6.261 1.362 0.487 0.571 1.000 0.375 C 1.021 10 residues pruned to eliminate duplicates Z: 8 6.826 1.788 0.645 0.488 0.857 0.429 CA 1.036 8 residues pruned to eliminate duplicates Z: 56 39.304 2.102 0.600 0.544 0.982 0.655 CA 1.537 56 residues pruned to eliminate duplicates Z: 12 12.319 1.976 0.638 0.295 0.909 0.636 CA 1.587 12 residues pruned to eliminate duplicates Z: 59 34.269 2.051 0.598 0.507 0.931 0.655 CA 1.465 59 residues pruned to eliminate duplicates Z: 17 10.777 1.873 0.693 0.251 0.938 0.438 CA 1.207 17 residues pruned to eliminate duplicates Z: 57 38.843 2.078 0.707 0.517 0.964 0.625 CA 1.493 57 residues pruned to eliminate duplicates Z: 6 3.195 1.688 0.307 0.434 0.800 0.200 CA 0.867 6 residues pruned to eliminate duplicates Z: 26 21.734 2.075 0.753 0.401 0.920 0.520 CA 1.442 26 residues pruned to eliminate duplicates Z: 56 40.462 2.075 0.712 0.551 1.000 0.655 CA 1.461 56 residues pruned to eliminate duplicates Z: 54 33.536 2.037 0.652 0.497 0.906 0.585 CA 1.517 54 residues pruned to eliminate duplicates Z: 45 35.028 2.126 0.526 0.609 0.955 0.727 CA 1.537 45 residues pruned to eliminate duplicates Z: 48 35.380 2.077 0.525 0.612 0.957 0.702 CA 1.530 48 residues pruned to eliminate duplicates Z: 58 40.833 2.080 0.662 0.516 0.965 0.649 CA 1.595 58 residues pruned to eliminate duplicates Z: 6 4.347 1.568 0.635 0.407 0.800 0.800 C 1.045 6 residues pruned to eliminate duplicates Z: 44 35.483 2.129 0.562 0.603 0.977 0.721 CA 1.511 44 residues pruned to eliminate duplicates Z: 59 40.212 2.096 0.624 0.541 0.966 0.724 CA 1.544 59 residues pruned to eliminate duplicates Z: 55 39.855 2.104 0.828 0.539 0.907 0.667 CA 1.496 55 residues pruned to eliminate duplicates Z: 58 38.078 2.087 0.610 0.520 0.947 0.632 CA 1.553 57 residues pruned to eliminate duplicates Z: 6 5.802 1.605 0.428 0.403 1.000 0.600 CA 1.253 6 residues pruned to eliminate duplicates Z: 44 37.575 2.136 0.585 0.647 0.907 0.744 CA 1.627 44 residues pruned to eliminate duplicates Z: 49 31.516 2.012 0.578 0.581 0.896 0.667 CA 1.480 49 residues pruned to eliminate duplicates Z: 34 34.518 2.098 0.585 0.686 0.970 0.727 CA 1.572 34 residues pruned to eliminate duplicates Z: 44 38.844 2.151 0.622 0.635 0.930 0.721 CB 1.609 44 residues pruned to eliminate duplicates Z: 35 39.432 2.111 0.644 0.722 0.941 0.706 CA 1.694 35 residues pruned to eliminate duplicates Z: 58 41.857 2.085 0.656 0.560 0.965 0.596 CA 1.569 58 residues pruned to eliminate duplicates Z: 31 41.841 2.152 0.755 0.772 0.967 0.867 CA 1.645 31 residues pruned to eliminate duplicates Z: 40 31.427 2.123 0.632 0.574 0.897 0.538 CB 1.507 40 residues pruned to eliminate duplicates Z: 40 34.597 2.152 0.707 0.577 0.897 0.615 CB 1.561 40 residues pruned to eliminate duplicates Z: 58 43.004 2.108 0.739 0.526 0.947 0.526 CA 1.599 59 residues pruned to eliminate duplicates Z: 22 32.976 2.096 0.578 0.872 0.952 0.619 CA 1.665 22 residues pruned to eliminate duplicates Z: 35 42.987 2.154 0.801 0.736 0.912 0.647 CA 1.687 35 residues pruned to eliminate duplicates Z: 32 41.447 2.144 0.813 0.734 0.935 0.613 CB 1.659 32 residues pruned to eliminate duplicates Z: 22 40.373 2.116 0.700 0.923 1.000 0.905 CA 1.720 21 residues pruned to eliminate duplicates Z: 23 39.229 2.056 0.711 0.920 1.000 0.636 CB 1.674 23 residues pruned to eliminate duplicates Z: 23 35.034 1.980 0.695 0.918 0.955 0.773 CB 1.644 23 residues pruned to eliminate duplicates Z: 44 38.629 2.091 0.673 0.618 0.953 0.581 CA 1.580 44 residues pruned to eliminate duplicates Z: 58 40.860 2.070 0.764 0.530 0.912 0.474 CA 1.577 58 residues pruned to eliminate duplicates Z: 35 34.072 2.017 0.793 0.718 0.882 0.618 CB 1.504 35 residues pruned to eliminate duplicates Z: 58 40.825 2.072 0.849 0.527 0.877 0.509 CB 1.567 58 residues pruned to eliminate duplicates Z: 34 40.397 2.123 0.856 0.727 0.939 0.515 CB 1.549 34 residues pruned to eliminate duplicates Z: 36 33.912 2.069 0.695 0.690 0.886 0.629 CB 1.551 36 residues pruned to eliminate duplicates Z: 6 2.425 1.846 -0.246 0.298 0.800 0.200 CB 1.221 6 residues pruned to eliminate duplicates Z: 6 7.402 1.657 0.360 0.674 1.000 0.600 O 1.251 5 residues pruned to eliminate duplicates Z: 6 11.045 1.850 0.518 0.754 1.000 0.800 CA 1.403 6 residues pruned to eliminate duplicates Z: 14 10.441 1.847 0.377 0.407 0.923 0.769 CA 1.360 13 residues pruned to eliminate duplicates Z: 6 7.992 1.862 0.245 0.684 1.000 0.800 CA 1.302 6 residues pruned to eliminate duplicates Z: 14 7.977 1.825 0.371 0.370 0.769 0.538 CA 1.322 14 residues pruned to eliminate duplicates Z: 14 10.364 1.838 0.277 0.539 1.000 0.846 CA 1.179 14 residues pruned to eliminate duplicates Z: 9 8.425 1.866 0.447 0.506 0.875 0.625 CA 1.253 12 residues pruned to eliminate duplicates Z: 6 2.861 1.440 0.698 0.405 0.800 0.600 CA 0.723 Z: 6 4.910 1.556 0.459 0.394 1.000 0.800 N 1.082 6 residues pruned to eliminate duplicates Z: 24 15.787 2.095 0.323 0.438 0.826 0.435 CA 1.532 26 residues pruned to eliminate duplicates Z: 10 10.715 2.103 0.254 0.654 0.889 0.222 CA 1.320 10 residues pruned to eliminate duplicates Z: 23 19.453 2.193 0.443 0.444 0.909 0.455 CA 1.528 21 residues pruned to eliminate duplicates Z: 9 12.728 1.805 0.837 0.827 0.875 0.625 CA 1.169 9 residues pruned to eliminate duplicates Z: 12 15.944 2.182 0.614 0.527 0.909 0.364 CA 1.462 12 residues pruned to eliminate duplicates Z: 24 18.612 2.158 0.402 0.479 0.870 0.478 CA 1.506 23 residues pruned to eliminate duplicates Z: 9 18.799 2.012 1.011 0.816 1.000 0.375 CA 1.248 11 residues pruned to eliminate duplicates Z: 9 14.295 1.998 0.885 0.770 1.000 0.500 CA 1.056 9 residues pruned to eliminate duplicates Z: 10 13.268 1.810 0.981 0.799 1.000 0.556 CA 0.950 9 residues pruned to eliminate duplicates Z: 10 17.395 2.035 1.201 0.734 0.889 0.667 CA 1.180 10 residues pruned to eliminate duplicates Z: 24 19.156 2.195 0.451 0.443 0.870 0.391 CA 1.529 25 residues pruned to eliminate duplicates Z: 6 6.213 1.772 0.751 0.430 1.000 0.600 CB 0.963 6 residues pruned to eliminate duplicates Z: 14 18.759 1.968 0.777 0.630 0.923 0.846 CA 1.427 14 residues pruned to eliminate duplicates Z: 13 24.117 2.102 0.662 0.729 1.000 0.750 CA 1.621 12 residues pruned to eliminate duplicates Z: 11 13.008 1.921 0.598 0.701 0.900 0.700 CB 1.240 11 residues pruned to eliminate duplicates Z: 14 18.307 1.953 0.668 0.622 0.923 0.692 CB 1.505 14 residues pruned to eliminate duplicates Z: 17 18.196 1.868 0.659 0.606 1.000 0.500 CB 1.327 17 residues pruned to eliminate duplicates Z: 13 26.304 2.115 0.837 0.703 1.000 0.583 CB 1.625 13 residues pruned to eliminate duplicates Z: 14 20.362 2.033 0.629 0.713 0.923 0.692 CB 1.523 14 residues pruned to eliminate duplicates Z: 14 20.672 2.039 0.692 0.643 0.846 0.615 CB 1.718 14 residues pruned to eliminate duplicates Z: 13 25.614 2.075 0.751 0.755 1.000 0.667 CA 1.622 13 residues pruned to eliminate duplicates Z: 14 23.123 2.013 0.764 0.666 1.000 0.846 CB 1.549 14 residues pruned to eliminate duplicates Z: 16 11.524 1.653 0.644 0.408 1.000 0.600 CB 1.206 12 residues pruned to eliminate duplicates Z: 11 8.664 1.670 0.481 0.359 1.000 0.800 CA 1.289 11 residues pruned to eliminate duplicates Z: 20 8.534 1.613 0.638 0.277 0.737 0.526 CB 1.294 20 residues pruned to eliminate duplicates Z: 15 11.013 1.712 0.702 0.325 0.857 0.500 CA 1.428 15 residues pruned to eliminate duplicates Z: 11 8.465 1.723 0.331 0.384 0.900 0.600 CB 1.467 11 residues pruned to eliminate duplicates Z: 10 11.513 1.844 0.491 0.507 0.889 0.667 N 1.559 10 residues pruned to eliminate duplicates Z: 12 7.643 1.754 0.422 0.417 0.909 0.545 CB 1.108 12 residues pruned to eliminate duplicates Z: 10 8.212 1.749 0.490 0.434 0.778 0.667 CB 1.445 10 residues pruned to eliminate duplicates Z: 9 8.702 1.913 0.609 0.498 0.750 0.500 CA 1.336 9 residues pruned to eliminate duplicates Z: 9 7.471 1.742 0.948 0.487 0.875 0.625 CA 0.902 9 residues pruned to eliminate duplicates Z: 8 7.371 1.845 0.899 0.535 0.714 0.429 CA 1.076 8 residues pruned to eliminate duplicates Z: 13 9.620 1.963 0.579 0.333 0.750 0.250 CA 1.435 13 residues pruned to eliminate duplicates Z: 7 4.910 1.617 0.775 0.291 0.833 0.333 CA 1.059 Z: 7 6.360 1.572 0.380 0.524 1.000 0.000 CA 1.168 7 residues pruned to eliminate duplicates Z: 6 5.324 1.658 0.564 0.405 0.800 0.600 CA 1.268 6 residues pruned to eliminate duplicates Z: 11 7.700 1.981 0.418 0.350 0.700 0.300 CB 1.456 11 residues pruned to eliminate duplicates Z: 16 9.041 1.855 0.517 0.283 0.733 0.400 CA 1.444 16 residues pruned to eliminate duplicates Z: 12 8.361 1.876 0.593 0.406 0.727 0.364 CA 1.280 12 residues pruned to eliminate duplicates Z: 13 7.041 1.759 0.517 0.296 0.750 0.417 CA 1.275 8 residues pruned to eliminate duplicates Z: 12 4.737 1.725 0.276 0.294 0.636 0.455 CA 1.284 12 residues pruned to eliminate duplicates Z: 8 7.629 1.921 0.426 0.428 0.857 0.286 CA 1.324 8 residues pruned to eliminate duplicates Z: 11 4.438 1.722 0.231 0.343 0.800 0.500 CB 0.982 11 residues pruned to eliminate duplicates Z: 6 5.576 1.562 1.005 0.251 1.000 0.600 O 1.061 7 residues pruned to eliminate duplicates Z: 11 6.365 1.787 0.411 0.365 0.700 0.500 CB 1.318 11 residues pruned to eliminate duplicates Z: 7 4.952 1.713 0.543 0.363 0.667 0.333 C 1.330 7 residues pruned to eliminate duplicates Z: 16 18.145 1.937 0.723 0.606 1.000 0.667 CB 1.270 15 residues pruned to eliminate duplicates Z: 6 6.119 1.547 1.344 0.431 1.000 0.800 CA 0.810 6 residues pruned to eliminate duplicates Z: 11 21.097 2.229 0.586 0.698 1.000 0.900 CB 1.575 16 residues pruned to eliminate duplicates Z: 6 6.278 1.760 0.752 0.299 0.800 0.200 CA 1.424 6 residues pruned to eliminate duplicates Z: 16 20.363 2.049 0.717 0.595 1.000 0.733 CB 1.366 12 residues pruned to eliminate duplicates Z: 6 5.300 1.923 0.258 0.293 0.800 0.600 CB 1.545 6 residues pruned to eliminate duplicates Z: 15 18.340 2.037 0.643 0.562 0.929 0.643 CB 1.486 14 residues pruned to eliminate duplicates Z: 6 5.964 1.438 1.062 0.345 1.000 0.400 N 1.065 7 residues pruned to eliminate duplicates Z: 7 7.434 1.474 0.788 0.559 1.000 0.667 CB 1.088 Z: 17 8.425 1.828 0.479 0.269 0.688 0.375 N 1.473 25 residues pruned to eliminate duplicates Z: 6 2.743 1.286 0.321 0.525 0.800 0.200 CB 0.881 6 residues pruned to eliminate duplicates Z: 23 7.587 1.716 0.573 0.234 0.682 0.318 CB 1.198 23 residues pruned to eliminate duplicates Z: 15 6.665 1.889 0.504 0.160 0.714 0.214 CB 1.331 15 residues pruned to eliminate duplicates Z: 22 8.950 1.804 0.433 0.279 0.714 0.143 CB 1.359 22 residues pruned to eliminate duplicates Z: 9 4.581 1.704 -0.091 0.400 1.000 0.500 CB 1.162 9 residues pruned to eliminate duplicates 8 1.732 1.813 0.246 0.181 0.429 0.143 CB 0.993 ? Z: 8 4.717 1.869 0.144 0.278 0.714 0.143 CB 1.500 8 residues pruned to eliminate duplicates Z: 18 4.216 1.950 0.191 0.166 0.588 0.235 CB 1.123 18 residues pruned to eliminate duplicates Z: 16 8.923 1.817 0.489 0.438 0.667 0.467 CB 1.362 16 residues pruned to eliminate duplicates Z: 12 5.608 1.877 0.249 0.177 0.818 0.091 CB 1.303 12 residues pruned to eliminate duplicates Z: 9 5.651 1.462 0.896 0.608 0.625 0.500 CB 1.040 9 residues pruned to eliminate duplicates Z: 9 10.633 1.777 0.804 0.594 0.875 0.500 CB 1.224 8 residues pruned to eliminate duplicates Z: 6 10.804 1.865 0.837 0.732 1.000 0.600 CB 1.145 6 residues pruned to eliminate duplicates Z: 11 6.669 1.543 0.332 0.471 0.900 0.600 CB 1.175 11 residues pruned to eliminate duplicates Z: 9 8.207 1.801 0.348 0.598 1.000 0.625 CA 1.088 Z: 6 3.479 1.535 0.228 0.415 1.000 0.400 CA 0.902 5 residues pruned to eliminate duplicates Z: 20 27.577 2.102 0.779 0.836 1.000 0.474 CA 1.266 20 residues pruned to eliminate duplicates Z: 32 23.287 2.046 0.563 0.662 0.968 0.645 CA 1.163 32 residues pruned to eliminate duplicates Z: 46 35.561 2.050 0.677 0.696 0.933 0.667 CA 1.381 47 residues pruned to eliminate duplicates Z: 19 25.936 2.066 0.766 0.918 1.000 0.667 CA 1.182 19 residues pruned to eliminate duplicates Z: 18 21.627 2.013 0.666 0.914 1.000 0.706 CA 1.106 18 residues pruned to eliminate duplicates Z: 50 31.200 2.008 0.627 0.662 0.918 0.612 CA 1.279 62 residues pruned to eliminate duplicates Z: 19 26.447 2.069 0.805 0.904 0.944 0.667 CA 1.258 19 residues pruned to eliminate duplicates Z: 46 34.441 2.022 0.715 0.642 0.933 0.578 CA 1.389 46 residues pruned to eliminate duplicates Z: 41 23.981 1.957 0.635 0.567 0.875 0.400 CA 1.270 41 residues pruned to eliminate duplicates Z: 35 39.583 2.134 0.809 0.769 0.971 0.559 CB 1.427 35 residues pruned to eliminate duplicates Z: 35 19.838 1.954 0.491 0.586 0.882 0.529 CB 1.218 35 residues pruned to eliminate duplicates Z: 31 18.381 1.971 0.622 0.616 0.833 0.533 CA 1.129 31 residues pruned to eliminate duplicates Z: 48 28.617 1.928 0.827 0.550 0.894 0.532 CA 1.262 47 residues pruned to eliminate duplicates Z: 20 24.199 1.995 0.779 0.886 1.000 0.579 CA 1.129 20 residues pruned to eliminate duplicates Z: 22 24.562 2.124 0.643 0.810 0.905 0.571 CA 1.295 22 residues pruned to eliminate duplicates Z: 25 23.657 2.034 0.643 0.728 0.917 0.375 CA 1.283 25 residues pruned to eliminate duplicates Z: 26 23.469 1.953 0.809 0.695 0.880 0.400 CA 1.264 26 residues pruned to eliminate duplicates Z: 48 33.417 1.997 0.689 0.681 0.936 0.638 CA 1.306 48 residues pruned to eliminate duplicates Z: 27 23.656 2.031 0.737 0.663 0.923 0.462 CA 1.225 27 residues pruned to eliminate duplicates Z: 26 23.999 2.085 0.829 0.686 0.840 0.480 CA 1.263 26 residues pruned to eliminate duplicates Z: 34 23.669 2.012 0.626 0.644 0.939 0.576 CA 1.172 34 residues pruned to eliminate duplicates Z: 19 13.381 2.027 0.408 0.587 0.833 0.722 CB 1.220 19 residues pruned to eliminate duplicates Z: 17 19.838 2.040 0.554 0.732 0.938 0.688 CB 1.354 17 residues pruned to eliminate duplicates Z: 45 30.444 2.059 0.750 0.668 0.841 0.545 CA 1.296 45 residues pruned to eliminate duplicates Z: 44 30.396 2.049 0.740 0.658 0.907 0.628 CA 1.238 44 residues pruned to eliminate duplicates Z: 19 20.559 2.006 0.660 0.629 0.889 0.500 CB 1.451 19 residues pruned to eliminate duplicates Z: 36 33.158 2.103 0.642 0.752 0.943 0.571 CA 1.375 36 residues pruned to eliminate duplicates Z: 45 29.555 2.071 0.555 0.659 0.909 0.636 CB 1.313 45 residues pruned to eliminate duplicates Z: 14 22.673 2.120 0.722 0.845 1.000 0.615 CB 1.281 14 residues pruned to eliminate duplicates Z: 19 15.943 2.004 0.467 0.577 0.889 0.556 CB 1.335 19 residues pruned to eliminate duplicates Z: 12 23.575 2.148 0.849 0.924 1.000 0.727 CB 1.257 12 residues pruned to eliminate duplicates Z: 15 18.173 2.062 0.726 0.708 0.857 0.643 CA 1.318 15 residues pruned to eliminate duplicates Z: 19 15.893 1.920 0.659 0.659 0.833 0.500 CB 1.217 19 residues pruned to eliminate duplicates Z: 20 16.758 1.927 0.528 0.636 0.842 0.632 CB 1.365 20 residues pruned to eliminate duplicates Z: 48 32.356 2.015 0.695 0.669 0.872 0.511 CA 1.355 48 residues pruned to eliminate duplicates Z: 14 22.328 2.069 0.731 0.823 0.923 0.846 CA 1.416 14 residues pruned to eliminate duplicates Z: 25 24.653 2.172 0.471 0.589 0.958 0.667 CB 1.509 25 residues pruned to eliminate duplicates Z: 22 30.668 2.262 0.461 0.667 1.000 0.714 CA 1.735 22 residues pruned to eliminate duplicates Z: 29 31.468 2.268 0.381 0.701 0.964 0.714 CA 1.639 29 residues pruned to eliminate duplicates Z: 21 26.078 2.262 0.431 0.618 0.950 0.700 CA 1.695 21 residues pruned to eliminate duplicates Z: 31 27.919 2.183 0.488 0.650 0.933 0.600 CA 1.462 31 residues pruned to eliminate duplicates Z: 32 29.666 2.175 0.474 0.653 0.903 0.677 CA 1.596 37 residues pruned to eliminate duplicates Z: 14 23.230 2.296 0.501 0.713 0.923 0.692 CB 1.670 14 residues pruned to eliminate duplicates Z: 21 25.732 2.247 0.466 0.582 0.950 0.550 CB 1.698 21 residues pruned to eliminate duplicates Z: 22 31.169 2.216 0.609 0.624 0.952 0.571 CB 1.782 22 residues pruned to eliminate duplicates Z: 33 24.320 2.153 0.390 0.600 0.844 0.500 CA 1.548 33 residues pruned to eliminate duplicates Z: 33 32.961 2.182 0.522 0.667 0.906 0.594 CB 1.659 32 residues pruned to eliminate duplicates Z: 13 22.919 2.341 0.457 0.829 0.917 0.417 CB 1.593 13 residues pruned to eliminate duplicates Z: 30 32.451 2.220 0.447 0.695 0.966 0.552 CA 1.626 33 residues pruned to eliminate duplicates Z: 22 27.109 2.082 0.563 0.876 1.000 0.619 CB 1.321 22 residues pruned to eliminate duplicates Z: 26 26.873 2.211 0.346 0.596 0.960 0.440 CA 1.717 26 residues pruned to eliminate duplicates Z: 15 23.224 2.345 0.452 0.703 0.929 0.429 CB 1.631 15 residues pruned to eliminate duplicates Z: 31 30.187 2.154 0.520 0.646 0.900 0.600 CA 1.632 31 residues pruned to eliminate duplicates Z: 31 36.082 2.202 0.593 0.664 0.967 0.467 CA 1.668 30 residues pruned to eliminate duplicates Z: 20 31.518 2.268 0.656 0.876 0.947 0.579 CB 1.476 20 residues pruned to eliminate duplicates Z: 21 25.315 2.192 0.485 0.867 0.950 0.450 CB 1.339 21 residues pruned to eliminate duplicates Z: 27 28.641 2.193 0.552 0.679 0.885 0.385 CA 1.584 27 residues pruned to eliminate duplicates Z: 30 31.094 2.209 0.547 0.685 0.931 0.655 CA 1.532 30 residues pruned to eliminate duplicates Z: 35 33.134 2.176 0.508 0.666 0.912 0.382 CB 1.629 35 residues pruned to eliminate duplicates Z: 32 37.588 2.190 0.672 0.631 0.968 0.645 CA 1.684 31 residues pruned to eliminate duplicates Z: 20 30.594 2.263 0.587 0.855 0.947 0.632 CA 1.522 20 residues pruned to eliminate duplicates Z: 30 36.649 2.229 0.676 0.672 0.966 0.517 CA 1.610 30 residues pruned to eliminate duplicates Z: 35 29.130 2.090 0.595 0.591 0.882 0.588 CA 1.556 35 residues pruned to eliminate duplicates Z: 6 2.667 1.527 0.224 0.375 0.600 0.200 CA 1.216 6 residues pruned to eliminate duplicates Z: 13 12.119 1.886 0.382 0.481 0.917 0.750 CA 1.493 13 residues pruned to eliminate duplicates Z: 22 12.845 1.882 0.380 0.341 0.810 0.524 N 1.585 22 residues pruned to eliminate duplicates Z: 7 6.408 1.845 0.491 0.390 0.833 0.667 CA 1.281 7 residues pruned to eliminate duplicates Z: 11 15.975 2.055 0.467 0.584 1.000 0.900 N 1.546 11 residues pruned to eliminate duplicates Z: 6 4.981 1.708 0.208 0.431 1.000 0.800 N 1.160 6 residues pruned to eliminate duplicates Z: 21 15.834 1.952 0.436 0.368 0.900 0.650 N 1.618 21 residues pruned to eliminate duplicates Z: 6 2.968 1.471 0.369 0.291 0.800 0.400 CB 1.042 6 residues pruned to eliminate duplicates Z: 22 14.212 1.928 0.459 0.336 0.857 0.429 N 1.539 22 residues pruned to eliminate duplicates Z: 19 15.485 1.924 0.483 0.355 0.944 0.611 N 1.584 19 residues pruned to eliminate duplicates Z: 22 11.982 1.869 0.292 0.333 0.905 0.571 N 1.438 22 residues pruned to eliminate duplicates Z: 23 11.822 1.791 0.387 0.304 0.864 0.500 N 1.461 23 residues pruned to eliminate duplicates Z: 20 12.934 1.866 0.383 0.376 0.947 0.579 CB 1.385 20 residues pruned to eliminate duplicates Z: 12 4.323 1.770 0.193 0.180 0.727 0.273 CB 1.247 12 residues pruned to eliminate duplicates Z: 22 12.979 1.893 0.494 0.317 0.857 0.476 CB 1.431 22 residues pruned to eliminate duplicates Z: 9 9.505 2.013 0.391 0.436 0.750 0.500 CA 1.708 9 residues pruned to eliminate duplicates Z: 8 11.641 2.037 0.408 0.555 0.857 0.571 N 1.696 11 residues pruned to eliminate duplicates Z: 8 4.045 1.042 0.611 0.692 1.000 0.286 CA 0.764 Z: 8 2.714 1.164 0.351 0.294 0.857 0.571 CB 0.959 Z: 10 4.827 1.494 0.485 0.407 0.778 0.333 CA 1.028 13 residues pruned to eliminate duplicates Z: 10 5.410 1.517 0.252 0.426 0.889 0.333 CA 1.153 9 residues pruned to eliminate duplicates Z: 6 2.986 1.354 0.121 0.589 0.800 0.200 N 1.010 6 residues pruned to eliminate duplicates Z: 8 5.194 1.513 0.178 0.401 1.000 0.429 CB 1.223 7 residues pruned to eliminate duplicates Z: 7 4.160 1.637 0.584 0.395 0.667 0.167 CB 1.098 8 residues pruned to eliminate duplicates Z: 7 4.105 1.704 0.299 0.334 0.833 0.333 CB 1.089 Z: 12 5.338 1.700 0.314 0.363 0.818 0.455 CB 1.020 13 residues pruned to eliminate duplicates Z: 6 3.453 1.853 0.277 0.269 0.800 0.400 CB 1.060 6 residues pruned to eliminate duplicates Z: 10 6.500 1.825 0.371 0.326 0.889 0.444 CB 1.180 11 residues pruned to eliminate duplicates Z: 9 4.665 1.446 0.038 0.442 1.000 0.375 CB 1.166 9 residues pruned to eliminate duplicates 555 residues left after pruning, divided into chains as follows: A: 15 B: 37 C: 6 D: 6 E: 8 F: 10 G: 6 H: 15 I: 123 J: 58 K: 8 L: 12 M: 13 N: 10 O: 18 P: 9 Q: 15 R: 28 S: 9 T: 58 U: 30 V: 21 W: 8 X: 10 Y: 11 Z: 11 CC for partial structure against native data = 19.70 % ------------------------------------------------------------------------------ Global autotracing cycle 7 = 0.300, Contrast = 0.409, Connect. = 0.680 for dens.mod. cycle 1 = 0.300, Contrast = 0.474, Connect. = 0.704 for dens.mod. cycle 2 = 0.300, Contrast = 0.550, Connect. = 0.738 for dens.mod. cycle 3 = 0.300, Contrast = 0.559, Connect. = 0.744 for dens.mod. cycle 4 = 0.300, Contrast = 0.567, Connect. = 0.748 for dens.mod. cycle 5 = 0.300, Contrast = 0.572, Connect. = 0.752 for dens.mod. cycle 6 = 0.300, Contrast = 0.576, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.579, Connect. = 0.758 for dens.mod. cycle 8 = 0.300, Contrast = 0.580, Connect. = 0.759 for dens.mod. cycle 9 = 0.300, Contrast = 0.581, Connect. = 0.761 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6796 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1206 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 19.523 1.992 0.696 0.554 1.000 0.733 CB 1.415 B: 21 23.677 2.114 0.276 0.912 1.000 0.900 CB 1.389 C: 15 20.084 2.008 0.695 0.565 1.000 0.714 CB 1.480 16 residues pruned to eliminate duplicates D: 21 34.814 2.252 0.619 0.912 1.000 0.550 CB 1.513 E: 22 31.592 2.164 0.443 0.915 1.000 0.857 CB 1.560 22 residues pruned to eliminate duplicates F: 21 36.895 2.286 0.751 0.937 0.950 0.600 CB 1.510 21 residues pruned to eliminate duplicates G: 22 27.355 2.185 0.322 0.880 1.000 0.524 CB 1.497 22 residues pruned to eliminate duplicates H: 22 24.787 2.127 0.246 0.882 1.000 0.667 CB 1.476 21 residues pruned to eliminate duplicates I: 16 10.555 1.977 0.415 0.426 0.733 0.600 CB 1.435 J: 10 18.185 1.967 0.668 0.622 1.000 0.778 CA 1.645 K: 21 32.965 2.243 0.554 0.889 0.950 0.750 CB 1.602 22 residues pruned to eliminate duplicates L: 54 43.444 2.214 0.667 0.621 0.962 0.585 CB 1.498 21 residues pruned to eliminate duplicates M: 29 24.480 2.183 0.253 0.705 0.929 0.571 CA 1.511 22 residues pruned to eliminate duplicates N: 23 25.854 2.002 0.315 0.925 0.955 0.864 CB 1.540 O: 20 21.901 2.056 0.795 0.874 0.947 0.526 CA 1.046 P: 12 14.336 1.955 0.721 0.478 0.909 0.545 CB 1.444 Q: 22 20.035 2.068 0.324 0.860 1.000 0.667 CB 1.174 22 residues pruned to eliminate duplicates R: 14 8.972 1.916 0.356 0.391 0.923 0.385 CA 1.164 S: 12 7.648 1.993 0.049 0.558 0.818 0.636 CA 1.275 12 residues pruned to eliminate duplicates T: 17 19.264 2.045 0.615 0.866 0.812 0.500 CB 1.313 18 residues pruned to eliminate duplicates U: 21 37.892 2.277 0.587 0.911 1.000 0.700 CB 1.662 21 residues pruned to eliminate duplicates V: 14 10.036 1.764 0.225 0.667 1.000 0.769 CB 1.104 W: 23 32.327 2.030 0.620 0.914 0.955 0.818 CB 1.553 23 residues pruned to eliminate duplicates X: 18 20.914 2.089 0.728 0.865 0.941 0.588 CA 1.094 20 residues pruned to eliminate duplicates Y: 26 17.791 2.052 0.312 0.450 0.960 0.520 CB 1.450 26 residues pruned to eliminate duplicates Z: 21 41.887 2.300 0.751 0.928 1.000 0.600 CB 1.629 21 residues pruned to eliminate duplicates Z: 21 34.437 2.129 0.645 0.920 0.950 0.600 CB 1.630 21 residues pruned to eliminate duplicates Z: 12 22.631 2.201 0.542 0.900 0.909 0.818 CB 1.580 Z: 30 16.352 1.942 0.481 0.334 0.828 0.586 CA 1.528 14 residues pruned to eliminate duplicates Z: 13 17.591 1.989 0.638 0.589 1.000 0.750 CB 1.431 13 residues pruned to eliminate duplicates Z: 21 13.948 1.996 0.368 0.333 0.850 0.550 CB 1.612 Z: 16 17.903 2.216 0.428 0.595 0.933 0.600 CB 1.429 16 residues pruned to eliminate duplicates Z: 8 9.508 1.781 0.608 0.557 0.857 0.571 N 1.385 Z: 19 27.453 2.266 0.459 0.877 0.944 0.500 CB 1.505 19 residues pruned to eliminate duplicates Z: 21 33.073 2.261 0.441 0.906 1.000 0.750 CA 1.614 21 residues pruned to eliminate duplicates Z: 21 35.569 2.284 0.472 0.920 1.000 0.850 CB 1.667 21 residues pruned to eliminate duplicates Z: 15 25.554 2.045 0.454 0.815 1.000 0.857 CB 1.746 15 residues pruned to eliminate duplicates Z: 16 19.367 2.128 0.561 0.880 0.933 0.667 CA 1.169 15 residues pruned to eliminate duplicates Z: 11 17.068 2.162 0.511 0.837 0.900 0.600 CB 1.372 11 residues pruned to eliminate duplicates Z: 9 11.725 2.172 0.092 0.839 0.875 0.875 CB 1.492 9 residues pruned to eliminate duplicates Z: 21 29.119 2.059 0.499 0.929 1.000 0.550 CA 1.476 21 residues pruned to eliminate duplicates Z: 19 16.505 2.033 0.771 0.399 0.889 0.556 CA 1.352 Z: 9 7.294 1.993 0.287 0.370 0.750 0.750 CA 1.542 9 residues pruned to eliminate duplicates Z: 32 19.069 2.131 0.568 0.333 0.806 0.323 CB 1.526 Z: 22 30.792 2.048 0.414 0.901 1.000 0.905 CB 1.657 22 residues pruned to eliminate duplicates Z: 9 16.380 2.195 0.441 0.642 0.875 0.500 N 1.833 Z: 21 36.639 2.275 0.627 0.931 0.950 0.650 CB 1.628 21 residues pruned to eliminate duplicates Z: 20 30.734 2.208 0.528 0.923 1.000 0.789 CB 1.469 19 residues pruned to eliminate duplicates Z: 22 29.383 2.029 0.555 0.894 1.000 0.714 CB 1.457 22 residues pruned to eliminate duplicates Z: 10 11.746 1.715 0.615 0.569 0.889 0.444 CB 1.488 Z: 22 36.077 2.226 0.597 0.933 1.000 0.762 CB 1.546 22 residues pruned to eliminate duplicates Z: 7 7.949 1.663 0.364 0.841 1.000 1.000 CA 1.067 Z: 31 20.782 2.144 0.589 0.376 0.867 0.433 CB 1.467 32 residues pruned to eliminate duplicates Z: 9 12.555 1.955 0.770 0.858 0.750 0.625 CB 1.260 9 residues pruned to eliminate duplicates Z: 16 19.799 2.176 0.591 0.897 0.867 0.400 CA 1.220 16 residues pruned to eliminate duplicates Z: 23 35.631 2.075 0.598 0.936 1.000 0.727 CB 1.595 23 residues pruned to eliminate duplicates Z: 14 20.894 2.033 0.749 0.659 0.923 0.692 CB 1.523 12 residues pruned to eliminate duplicates Z: 7 9.893 2.001 0.712 0.396 1.000 0.500 CB 1.316 Z: 6 3.634 2.104 -0.191 0.426 0.800 0.600 CB 1.289 Z: 21 37.267 2.078 0.706 0.922 1.000 0.900 CA 1.653 21 residues pruned to eliminate duplicates Z: 21 29.120 2.218 0.408 0.901 1.000 0.700 CB 1.489 21 residues pruned to eliminate duplicates Z: 25 25.293 1.913 0.317 0.864 0.958 0.708 CA 1.568 25 residues pruned to eliminate duplicates Z: 22 40.075 2.131 0.723 0.944 1.000 0.667 CB 1.649 23 residues pruned to eliminate duplicates Z: 21 16.514 1.968 0.232 0.789 0.900 0.750 CB 1.312 21 residues pruned to eliminate duplicates Z: 42 24.717 2.144 0.452 0.401 0.902 0.561 CB 1.525 12 residues pruned to eliminate duplicates Z: 14 8.644 1.702 0.533 0.380 0.846 0.692 CB 1.234 Z: 21 19.510 2.117 0.049 0.863 1.000 0.600 CB 1.441 21 residues pruned to eliminate duplicates Z: 8 2.599 1.553 0.175 0.396 0.857 0.429 CB 0.701 Z: 24 18.127 2.121 0.640 0.359 0.826 0.522 CA 1.532 20 residues pruned to eliminate duplicates Z: 22 41.150 2.085 0.804 0.906 1.000 0.714 CA 1.699 22 residues pruned to eliminate duplicates Z: 10 17.058 2.143 0.412 0.603 1.000 0.778 N 1.703 9 residues pruned to eliminate duplicates Z: 10 14.666 1.865 0.364 0.873 1.000 0.778 CA 1.400 Z: 17 33.377 2.276 0.744 0.913 0.938 0.625 CB 1.587 17 residues pruned to eliminate duplicates Z: 54 28.888 2.214 0.477 0.340 0.906 0.547 CB 1.595 56 residues pruned to eliminate duplicates Z: 19 12.001 2.033 0.453 0.383 0.778 0.389 CB 1.395 17 residues pruned to eliminate duplicates Z: 54 43.543 2.238 0.657 0.585 0.962 0.453 CB 1.544 54 residues pruned to eliminate duplicates Z: 20 35.239 2.308 0.530 0.915 1.000 0.526 CB 1.617 20 residues pruned to eliminate duplicates Z: 52 42.979 2.211 0.666 0.644 0.941 0.392 CB 1.517 52 residues pruned to eliminate duplicates Z: 7 4.299 1.858 -0.234 0.690 0.833 0.667 CB 1.244 Z: 12 14.863 2.046 0.429 0.421 1.000 0.545 CA 1.663 11 residues pruned to eliminate duplicates Z: 7 10.264 2.135 0.033 0.612 1.000 0.667 N 1.708 Z: 9 15.107 2.111 0.549 0.451 1.000 0.750 CA 1.716 11 residues pruned to eliminate duplicates Z: 29 16.483 2.144 0.496 0.297 0.786 0.536 CB 1.552 28 residues pruned to eliminate duplicates Z: 33 22.749 2.073 0.521 0.427 0.875 0.500 CB 1.572 33 residues pruned to eliminate duplicates Z: 10 16.804 1.753 0.847 0.837 1.000 0.667 CA 1.294 10 residues pruned to eliminate duplicates Z: 11 5.825 1.744 0.313 0.348 0.800 0.500 CA 1.186 Z: 8 16.386 2.029 0.780 0.818 0.857 0.857 CB 1.517 8 residues pruned to eliminate duplicates Z: 6 6.963 1.853 0.191 0.644 1.000 0.600 CB 1.233 Z: 17 11.084 1.924 0.217 0.401 0.875 0.688 CA 1.501 18 residues pruned to eliminate duplicates Z: 23 29.753 1.989 0.667 0.920 0.955 0.409 CB 1.412 23 residues pruned to eliminate duplicates Z: 15 18.135 1.991 0.724 0.614 1.000 0.714 CB 1.267 15 residues pruned to eliminate duplicates Z: 14 19.286 2.251 0.167 0.889 1.000 0.846 CB 1.467 14 residues pruned to eliminate duplicates Z: 7 6.147 1.872 -0.058 0.601 0.833 0.667 CB 1.552 6 residues pruned to eliminate duplicates Z: 6 8.214 1.635 1.019 0.653 0.800 0.600 N 1.206 6 residues pruned to eliminate duplicates Z: 23 13.595 2.120 0.661 0.267 0.773 0.409 CB 1.389 23 residues pruned to eliminate duplicates Z: 6 4.337 2.007 0.298 0.406 0.600 0.600 CA 1.370 6 residues pruned to eliminate duplicates Z: 24 28.781 2.162 0.587 0.796 0.913 0.565 CB 1.479 24 residues pruned to eliminate duplicates Z: 9 5.246 1.751 0.068 0.521 0.750 0.625 CB 1.295 9 residues pruned to eliminate duplicates Z: 6 9.346 1.963 0.698 0.859 1.000 1.000 CA 0.923 6 residues pruned to eliminate duplicates Z: 40 22.809 1.964 0.738 0.361 0.923 0.487 CA 1.346 28 residues pruned to eliminate duplicates Z: 22 10.920 1.888 0.341 0.293 0.810 0.429 CB 1.467 22 residues pruned to eliminate duplicates Z: 10 16.393 1.961 0.484 0.836 1.000 0.667 CA 1.406 10 residues pruned to eliminate duplicates Z: 13 13.449 1.903 0.512 0.678 0.750 0.500 CA 1.527 13 residues pruned to eliminate duplicates Z: 14 10.364 1.787 0.518 0.484 0.846 0.462 CA 1.273 11 residues pruned to eliminate duplicates Z: 9 20.021 1.920 0.811 0.883 1.000 0.750 CA 1.472 10 residues pruned to eliminate duplicates Z: 19 23.557 2.175 0.462 0.878 0.889 0.611 CB 1.425 19 residues pruned to eliminate duplicates Z: 13 9.118 1.904 0.247 0.408 0.833 0.750 N 1.465 13 residues pruned to eliminate duplicates Z: 6 6.843 1.622 0.610 0.744 0.800 0.600 CA 1.178 6 residues pruned to eliminate duplicates Z: 33 19.113 2.166 0.539 0.360 0.812 0.406 CB 1.451 33 residues pruned to eliminate duplicates Z: 14 20.560 2.021 0.435 0.903 1.000 0.769 CB 1.402 13 residues pruned to eliminate duplicates Z: 15 13.809 1.876 0.639 0.478 0.929 0.714 CB 1.322 15 residues pruned to eliminate duplicates Z: 12 13.374 2.029 0.613 0.725 0.909 0.364 CB 1.106 12 residues pruned to eliminate duplicates Z: 7 14.926 2.074 0.464 0.794 1.000 0.833 CB 1.551 Z: 20 28.723 2.196 0.582 0.925 1.000 0.526 CB 1.331 20 residues pruned to eliminate duplicates Z: 13 10.771 2.071 0.361 0.765 0.833 0.583 CB 1.047 13 residues pruned to eliminate duplicates Z: 10 16.923 1.891 0.524 0.862 1.000 0.889 CA 1.438 10 residues pruned to eliminate duplicates Z: 15 12.163 1.983 0.312 0.466 0.929 0.643 CA 1.392 15 residues pruned to eliminate duplicates Z: 17 11.182 2.034 0.338 0.394 0.750 0.438 CB 1.532 17 residues pruned to eliminate duplicates Z: 14 6.329 1.796 0.165 0.408 0.769 0.385 CB 1.200 14 residues pruned to eliminate duplicates Z: 10 11.244 1.902 0.460 0.393 1.000 0.667 CA 1.511 13 residues pruned to eliminate duplicates Z: 11 6.516 1.691 0.544 0.499 0.900 0.600 CB 0.878 Z: 9 8.723 1.886 0.659 0.411 0.750 0.375 N 1.442 9 residues pruned to eliminate duplicates Z: 8 8.475 1.727 0.114 0.700 1.000 0.714 N 1.387 Z: 15 28.332 2.194 0.641 0.922 1.000 0.714 CA 1.479 15 residues pruned to eliminate duplicates Z: 20 35.611 2.140 0.668 0.929 1.000 0.684 CB 1.600 20 residues pruned to eliminate duplicates Z: 7 3.959 1.428 0.361 0.555 0.833 0.667 CB 0.946 Z: 9 7.133 1.728 0.544 0.526 0.750 0.500 CB 1.228 9 residues pruned to eliminate duplicates Z: 27 11.476 1.810 0.425 0.308 0.808 0.577 CB 1.337 24 residues pruned to eliminate duplicates Z: 12 11.439 1.850 0.464 0.492 1.000 0.727 N 1.283 Z: 22 34.012 2.087 0.622 0.903 1.000 0.714 CA 1.562 22 residues pruned to eliminate duplicates Z: 9 7.384 1.706 0.776 0.472 0.750 0.375 CA 1.181 9 residues pruned to eliminate duplicates Z: 10 5.393 1.792 0.487 0.554 0.778 0.556 CB 0.823 Z: 10 3.280 1.688 0.240 0.264 0.778 0.333 CB 0.879 10 residues pruned to eliminate duplicates Z: 23 10.274 1.895 0.118 0.322 0.864 0.455 CB 1.457 23 residues pruned to eliminate duplicates Z: 14 27.292 2.267 0.609 0.914 1.000 0.692 CB 1.468 14 residues pruned to eliminate duplicates Z: 6 3.517 1.486 0.480 0.679 1.000 0.600 CB 0.607 6 residues pruned to eliminate duplicates Z: 17 26.417 2.146 0.721 0.905 0.938 0.625 CB 1.357 17 residues pruned to eliminate duplicates Z: 20 23.408 2.170 0.473 0.622 0.895 0.789 CB 1.673 20 residues pruned to eliminate duplicates Z: 16 13.140 2.025 0.280 0.346 0.933 0.400 CB 1.658 16 residues pruned to eliminate duplicates Z: 30 23.871 2.213 0.603 0.383 0.931 0.517 CB 1.520 31 residues pruned to eliminate duplicates Z: 9 9.421 2.034 0.471 0.470 0.875 0.500 CB 1.312 9 residues pruned to eliminate duplicates Z: 13 15.248 2.066 0.282 0.813 0.917 0.500 CB 1.381 13 residues pruned to eliminate duplicates Z: 18 21.656 2.171 0.524 0.886 0.941 0.765 CB 1.217 18 residues pruned to eliminate duplicates Z: 8 11.622 2.065 0.455 0.618 0.857 0.714 CB 1.527 12 residues pruned to eliminate duplicates Z: 12 6.128 1.584 0.313 0.394 0.818 0.545 CB 1.214 Z: 10 7.566 1.812 0.195 0.521 0.778 0.667 CA 1.467 10 residues pruned to eliminate duplicates Z: 21 26.401 2.078 0.761 0.914 0.950 0.750 CB 1.201 21 residues pruned to eliminate duplicates Z: 14 12.584 1.758 0.715 0.450 1.000 0.615 CB 1.219 11 residues pruned to eliminate duplicates Z: 8 4.634 1.850 0.500 0.372 0.714 0.429 CB 1.013 Z: 9 9.026 1.700 0.899 0.573 0.875 0.750 CB 1.053 9 residues pruned to eliminate duplicates Z: 10 13.654 1.934 0.458 0.800 0.889 0.667 CA 1.397 10 residues pruned to eliminate duplicates Z: 13 20.737 2.096 0.381 0.867 1.000 0.750 CB 1.514 14 residues pruned to eliminate duplicates Z: 7 9.925 2.051 0.132 0.567 1.000 0.667 N 1.634 8 residues pruned to eliminate duplicates Z: 16 13.038 1.949 0.325 0.401 0.867 0.733 CB 1.669 16 residues pruned to eliminate duplicates Z: 14 10.152 2.042 0.157 0.506 0.846 0.692 CA 1.401 14 residues pruned to eliminate duplicates Z: 11 9.943 1.856 0.244 0.507 1.000 0.700 CA 1.351 11 residues pruned to eliminate duplicates Z: 11 13.334 1.741 0.602 0.825 1.000 0.700 CA 1.141 11 residues pruned to eliminate duplicates Z: 12 5.545 1.717 0.189 0.369 0.909 0.455 CB 1.036 12 residues pruned to eliminate duplicates Z: 13 21.077 2.162 0.469 0.867 1.000 0.583 CB 1.401 13 residues pruned to eliminate duplicates Z: 10 7.384 1.912 0.093 0.558 0.889 0.222 CA 1.253 Z: 9 9.229 2.206 -0.134 0.824 0.875 0.750 CA 1.475 9 residues pruned to eliminate duplicates Z: 6 8.909 1.876 0.534 0.476 1.000 0.600 CA 1.418 6 residues pruned to eliminate duplicates Z: 7 3.981 1.476 0.587 0.429 0.833 0.500 CA 0.896 Z: 6 12.219 2.114 0.298 0.825 1.000 0.800 CA 1.502 6 residues pruned to eliminate duplicates Z: 11 5.850 1.777 0.771 0.237 0.600 0.400 CB 1.329 11 residues pruned to eliminate duplicates Z: 21 11.639 1.975 0.066 0.546 0.850 0.500 CB 1.390 20 residues pruned to eliminate duplicates Z: 18 13.466 1.755 0.683 0.427 0.882 0.765 N 1.353 11 residues pruned to eliminate duplicates Z: 8 4.359 1.642 0.150 0.578 0.714 0.429 CB 1.132 7 residues pruned to eliminate duplicates Z: 46 26.335 2.035 0.489 0.649 0.911 0.667 CA 1.238 40 residues pruned to eliminate duplicates Z: 10 8.116 1.782 0.372 0.494 0.778 0.444 CA 1.431 11 residues pruned to eliminate duplicates Z: 49 23.885 2.136 0.489 0.328 0.833 0.562 CB 1.570 49 residues pruned to eliminate duplicates Z: 12 7.833 1.810 0.312 0.444 0.818 0.455 CB 1.287 11 residues pruned to eliminate duplicates Z: 19 26.592 2.048 0.710 0.810 0.944 0.667 CA 1.447 19 residues pruned to eliminate duplicates Z: 8 5.225 1.610 0.159 0.767 0.714 0.571 CB 1.170 8 residues pruned to eliminate duplicates Z: 10 18.463 1.918 0.726 0.854 1.000 1.000 CA 1.373 10 residues pruned to eliminate duplicates Z: 9 10.487 1.880 0.399 0.621 1.000 0.625 CB 1.257 9 residues pruned to eliminate duplicates Z: 11 3.835 1.624 0.391 0.400 0.700 0.400 CB 0.852 11 residues pruned to eliminate duplicates Z: 21 27.039 2.231 0.456 0.653 0.950 0.800 CA 1.700 21 residues pruned to eliminate duplicates Z: 9 13.344 2.053 0.416 0.492 1.000 0.625 CA 1.635 9 residues pruned to eliminate duplicates Z: 54 41.298 2.237 0.437 0.632 0.962 0.623 CB 1.620 50 residues pruned to eliminate duplicates Z: 10 10.855 1.889 0.473 0.407 1.000 0.556 CB 1.433 10 residues pruned to eliminate duplicates Z: 18 10.957 1.903 0.319 0.399 0.882 0.529 N 1.335 13 residues pruned to eliminate duplicates Z: 10 11.464 2.229 0.032 0.853 1.000 0.778 CB 1.229 10 residues pruned to eliminate duplicates Z: 54 35.811 2.110 0.618 0.523 0.925 0.642 CA 1.524 55 residues pruned to eliminate duplicates Z: 6 2.835 1.632 0.991 0.416 0.800 0.800 CB 0.533 Z: 22 23.473 1.963 0.596 0.880 1.000 0.667 CA 1.185 33 residues pruned to eliminate duplicates Z: 18 22.033 2.077 0.506 0.927 1.000 0.882 CA 1.197 18 residues pruned to eliminate duplicates Z: 22 26.393 2.050 0.478 0.917 1.000 0.810 CB 1.342 22 residues pruned to eliminate duplicates Z: 6 6.255 1.782 0.169 0.792 1.000 0.400 CB 1.040 6 residues pruned to eliminate duplicates Z: 11 9.451 1.719 0.699 0.362 0.900 0.600 CA 1.318 11 residues pruned to eliminate duplicates Z: 35 40.030 2.212 0.754 0.665 0.971 0.471 CB 1.565 35 residues pruned to eliminate duplicates Z: 11 8.051 1.685 0.903 0.434 0.800 0.500 CB 1.062 11 residues pruned to eliminate duplicates Z: 11 9.256 1.860 0.211 0.615 1.000 0.700 CA 1.165 11 residues pruned to eliminate duplicates Z: 23 16.265 2.119 0.706 0.339 0.864 0.409 CA 1.323 23 residues pruned to eliminate duplicates Z: 18 6.319 1.622 0.689 0.358 0.647 0.235 CB 1.008 18 residues pruned to eliminate duplicates Z: 9 8.277 1.892 0.331 0.588 0.875 0.625 CB 1.221 9 residues pruned to eliminate duplicates Z: 7 2.758 1.661 -0.130 0.730 0.833 0.833 CB 0.760 Z: 20 38.850 2.294 0.808 0.926 0.947 0.474 CB 1.591 20 residues pruned to eliminate duplicates Z: 10 15.271 1.857 0.455 0.826 1.000 0.556 CA 1.421 9 residues pruned to eliminate duplicates Z: 12 7.740 1.778 0.331 0.373 1.000 0.636 CB 1.129 12 residues pruned to eliminate duplicates Z: 11 9.554 1.821 0.479 0.458 0.900 0.600 CB 1.302 11 residues pruned to eliminate duplicates Z: 7 4.155 1.646 0.436 0.475 0.500 0.500 CA 1.472 Z: 21 22.624 2.025 0.653 0.923 1.000 0.850 CA 1.062 21 residues pruned to eliminate duplicates Z: 6 8.336 1.903 0.014 0.766 1.000 0.600 CA 1.527 6 residues pruned to eliminate duplicates Z: 26 23.871 2.197 0.658 0.403 0.960 0.480 CB 1.512 30 residues pruned to eliminate duplicates Z: 12 7.613 1.842 0.427 0.503 0.818 0.545 CB 1.064 7 residues pruned to eliminate duplicates Z: 57 28.547 2.161 0.545 0.336 0.929 0.500 CB 1.473 59 residues pruned to eliminate duplicates Z: 14 8.096 1.849 0.390 0.275 0.769 0.615 CB 1.465 14 residues pruned to eliminate duplicates Z: 9 7.450 1.925 0.413 0.496 0.750 0.625 CB 1.297 9 residues pruned to eliminate duplicates Z: 21 8.239 1.771 0.439 0.383 0.750 0.400 CB 1.092 21 residues pruned to eliminate duplicates Z: 8 4.167 1.872 -0.254 0.619 0.857 0.571 CB 1.176 Z: 15 19.046 2.203 0.654 0.928 0.929 0.714 CA 1.054 15 residues pruned to eliminate duplicates Z: 7 7.095 1.765 0.336 0.663 0.833 0.667 CB 1.267 Z: 7 15.309 2.061 0.550 0.745 1.000 0.833 CB 1.571 7 residues pruned to eliminate duplicates Z: 40 36.148 2.110 0.738 0.569 0.974 0.692 CB 1.515 40 residues pruned to eliminate duplicates Z: 11 7.544 1.682 0.375 0.474 0.900 0.700 N 1.177 Z: 21 33.828 2.112 0.655 0.914 0.950 0.500 CB 1.611 21 residues pruned to eliminate duplicates Z: 20 30.483 2.134 0.492 0.884 1.000 0.684 CB 1.587 20 residues pruned to eliminate duplicates Z: 7 5.108 1.713 -0.146 0.693 0.833 0.667 C 1.434 7 residues pruned to eliminate duplicates Z: 12 14.202 2.102 0.223 0.888 0.909 0.727 CB 1.320 12 residues pruned to eliminate duplicates Z: 10 10.817 1.835 0.350 0.542 1.000 0.778 N 1.396 10 residues pruned to eliminate duplicates Z: 13 6.481 1.477 0.995 0.407 0.833 0.500 CB 0.841 13 residues pruned to eliminate duplicates Z: 7 12.334 2.090 0.406 0.666 1.000 1.000 CA 1.470 7 residues pruned to eliminate duplicates Z: 7 2.770 1.739 -0.192 0.492 0.667 0.500 N 1.216 7 residues pruned to eliminate duplicates Z: 8 14.900 2.077 0.336 0.798 1.000 0.429 CB 1.563 8 residues pruned to eliminate duplicates Z: 11 16.198 1.707 0.787 0.837 1.000 0.800 CA 1.256 11 residues pruned to eliminate duplicates Z: 6 2.713 1.614 -0.194 0.476 0.800 0.600 CB 1.196 Z: 9 4.764 1.702 0.122 0.212 0.875 0.375 N 1.415 Z: 27 29.719 2.136 0.569 0.618 0.962 0.462 CB 1.617 26 residues pruned to eliminate duplicates Z: 21 35.900 2.099 0.644 0.899 1.000 0.700 CA 1.663 21 residues pruned to eliminate duplicates Z: 21 27.072 2.108 0.530 0.901 1.000 0.750 CA 1.339 21 residues pruned to eliminate duplicates Z: 15 9.366 1.905 0.438 0.366 0.857 0.571 CB 1.230 15 residues pruned to eliminate duplicates Z: 10 18.475 1.939 0.546 0.846 1.000 0.778 CA 1.527 10 residues pruned to eliminate duplicates Z: 27 21.100 2.131 0.612 0.384 0.923 0.462 CB 1.476 27 residues pruned to eliminate duplicates Z: 42 24.431 2.005 0.468 0.614 0.927 0.585 CA 1.256 34 residues pruned to eliminate duplicates Z: 8 8.262 1.986 0.303 0.445 1.000 0.571 CA 1.277 8 residues pruned to eliminate duplicates Z: 10 16.408 1.877 0.760 0.800 1.000 0.444 CA 1.274 11 residues pruned to eliminate duplicates Z: 27 16.298 2.169 0.509 0.368 0.769 0.423 CB 1.462 27 residues pruned to eliminate duplicates Z: 6 4.551 1.726 0.337 0.309 0.800 0.400 CB 1.363 6 residues pruned to eliminate duplicates Z: 12 9.344 1.954 0.246 0.350 0.909 0.545 CA 1.498 12 residues pruned to eliminate duplicates Z: 14 25.968 2.252 0.732 0.927 1.000 0.769 CB 1.294 14 residues pruned to eliminate duplicates Z: 18 11.649 1.904 0.269 0.399 0.882 0.412 CB 1.475 18 residues pruned to eliminate duplicates Z: 9 3.701 1.430 0.231 0.364 0.875 0.625 CB 0.983 Z: 12 7.443 2.006 0.073 0.492 0.818 0.636 CB 1.285 11 residues pruned to eliminate duplicates Z: 58 26.884 2.195 0.509 0.338 0.860 0.474 CB 1.492 58 residues pruned to eliminate duplicates Z: 16 3.611 1.634 -0.012 0.262 0.667 0.400 CB 1.138 7 residues pruned to eliminate duplicates Z: 21 40.061 2.120 0.793 0.926 0.950 0.800 CB 1.739 21 residues pruned to eliminate duplicates Z: 6 3.985 1.545 0.757 0.456 0.600 0.400 N 1.144 Z: 6 4.472 2.261 0.427 0.280 0.800 0.400 CA 0.993 6 residues pruned to eliminate duplicates Z: 7 4.515 1.692 0.207 0.244 0.833 0.167 CB 1.456 Z: 10 9.315 1.725 0.396 0.600 1.000 0.556 CA 1.172 10 residues pruned to eliminate duplicates Z: 20 13.948 1.904 0.376 0.367 0.895 0.421 N 1.574 20 residues pruned to eliminate duplicates Z: 7 2.740 1.481 0.497 0.247 0.667 0.500 CB 1.012 Z: 11 16.403 2.076 0.650 0.856 0.900 0.600 CB 1.240 11 residues pruned to eliminate duplicates Z: 20 26.169 2.154 0.579 0.859 0.895 0.579 CB 1.451 18 residues pruned to eliminate duplicates Z: 17 19.995 1.995 0.718 0.922 0.938 0.688 CA 1.094 17 residues pruned to eliminate duplicates Z: 8 5.567 1.464 0.156 0.523 1.000 0.571 N 1.215 9 residues pruned to eliminate duplicates Z: 8 10.852 2.082 0.429 0.626 0.857 0.571 CA 1.429 8 residues pruned to eliminate duplicates Z: 6 3.208 1.521 0.245 0.297 0.800 0.400 CB 1.188 Z: 8 12.690 2.193 0.286 0.823 1.000 0.714 CB 1.286 8 residues pruned to eliminate duplicates Z: 6 9.843 1.946 0.427 0.616 1.000 0.600 CA 1.420 6 residues pruned to eliminate duplicates Z: 47 26.261 2.154 0.531 0.345 0.913 0.587 CA 1.522 47 residues pruned to eliminate duplicates Z: 9 7.218 1.807 0.600 0.599 0.750 0.500 CB 1.071 10 residues pruned to eliminate duplicates 6 1.752 1.466 0.265 0.298 0.600 0.400 CB 0.882 ? Z: 10 12.674 1.904 0.679 0.610 0.889 0.778 CB 1.339 11 residues pruned to eliminate duplicates Z: 12 11.593 1.743 0.594 0.538 1.000 0.636 CB 1.211 12 residues pruned to eliminate duplicates 6 1.696 1.739 0.146 0.300 0.400 0.400 CB 1.190 ? Z: 22 26.735 2.119 0.549 0.861 0.952 0.381 CB 1.372 22 residues pruned to eliminate duplicates Z: 21 40.815 2.297 0.787 0.939 0.950 0.400 CB 1.627 21 residues pruned to eliminate duplicates Z: 61 28.607 2.130 0.477 0.355 0.900 0.567 CB 1.525 61 residues pruned to eliminate duplicates Z: 15 15.410 1.771 0.854 0.461 1.000 0.643 N 1.305 26 residues pruned to eliminate duplicates Z: 6 3.824 1.828 -0.056 0.613 0.800 0.600 CB 1.113 5 residues pruned to eliminate duplicates Z: 12 8.502 1.903 0.547 0.494 0.727 0.545 CB 1.204 13 residues pruned to eliminate duplicates Z: 10 12.080 1.763 0.609 0.511 1.000 0.667 CA 1.404 12 residues pruned to eliminate duplicates Z: 11 10.575 1.795 0.231 0.644 0.900 0.500 CA 1.470 15 residues pruned to eliminate duplicates Z: 18 19.775 2.147 0.470 0.914 0.941 0.706 CA 1.142 18 residues pruned to eliminate duplicates Z: 14 23.635 2.204 0.436 0.820 1.000 0.769 CB 1.569 14 residues pruned to eliminate duplicates Z: 21 32.894 2.035 0.972 0.914 0.950 0.600 CB 1.365 21 residues pruned to eliminate duplicates Z: 15 9.514 1.875 0.560 0.556 0.786 0.714 CB 1.047 14 residues pruned to eliminate duplicates Z: 13 9.268 1.921 0.217 0.581 0.833 0.667 CB 1.270 13 residues pruned to eliminate duplicates Z: 14 8.651 1.768 0.552 0.408 0.769 0.538 CA 1.252 14 residues pruned to eliminate duplicates Z: 55 28.097 2.152 0.530 0.338 0.870 0.500 CB 1.593 62 residues pruned to eliminate duplicates Z: 29 17.653 2.047 0.586 0.466 0.821 0.429 CB 1.295 29 residues pruned to eliminate duplicates Z: 21 20.190 1.981 0.515 0.823 0.950 0.950 CA 1.197 21 residues pruned to eliminate duplicates Z: 13 13.020 2.020 0.581 0.591 0.917 0.833 CB 1.177 13 residues pruned to eliminate duplicates Z: 6 8.274 1.986 0.230 0.554 1.000 0.600 CA 1.436 6 residues pruned to eliminate duplicates Z: 13 16.119 1.943 0.280 0.882 1.000 0.833 CA 1.354 13 residues pruned to eliminate duplicates Z: 48 40.038 2.096 0.684 0.608 0.979 0.745 CB 1.526 48 residues pruned to eliminate duplicates Z: 11 11.173 1.850 0.273 0.663 1.000 0.900 CB 1.290 11 residues pruned to eliminate duplicates Z: 17 7.915 1.856 0.378 0.361 0.688 0.562 CA 1.306 26 residues pruned to eliminate duplicates 6 1.878 1.225 0.410 0.575 0.600 0.400 N 0.754 ? Z: 9 6.422 1.770 0.155 0.640 0.875 0.750 CB 1.114 8 residues pruned to eliminate duplicates Z: 8 5.339 1.755 0.236 0.349 0.857 0.286 CB 1.278 5 residues pruned to eliminate duplicates Z: 7 3.923 1.958 0.031 0.381 0.833 0.500 CB 1.081 7 residues pruned to eliminate duplicates Z: 12 10.623 1.721 0.939 0.390 0.818 0.545 CA 1.319 12 residues pruned to eliminate duplicates Z: 15 16.125 1.995 0.510 0.624 1.000 0.786 CB 1.274 15 residues pruned to eliminate duplicates 6 1.384 0.953 0.433 0.575 0.800 0.600 C 0.527 ? Z: 10 6.842 1.741 0.359 0.312 0.889 0.444 N 1.336 10 residues pruned to eliminate duplicates Z: 15 7.469 1.891 0.017 0.250 0.857 0.429 CB 1.615 15 residues pruned to eliminate duplicates Z: 18 29.664 2.238 0.766 0.885 0.882 0.294 CB 1.489 18 residues pruned to eliminate duplicates Z: 11 4.659 1.794 0.167 0.421 0.900 0.600 CB 0.849 8 residues pruned to eliminate duplicates Z: 15 14.353 1.908 0.542 0.582 0.857 0.714 CB 1.405 15 residues pruned to eliminate duplicates Z: 21 33.378 2.044 0.706 0.926 0.950 0.550 CB 1.580 21 residues pruned to eliminate duplicates Z: 15 10.499 1.780 0.377 0.520 0.929 0.643 CA 1.209 13 residues pruned to eliminate duplicates Z: 7 9.002 1.731 0.726 0.809 1.000 0.500 CB 0.940 7 residues pruned to eliminate duplicates Z: 7 8.370 1.825 0.689 0.509 0.833 0.500 N 1.319 7 residues pruned to eliminate duplicates Z: 7 2.366 1.360 0.056 0.088 1.000 0.500 CA 1.145 7 residues pruned to eliminate duplicates Z: 9 4.163 1.734 0.247 0.402 0.750 0.500 CB 1.006 Z: 8 2.731 1.516 -0.142 0.467 1.000 0.714 CB 0.820 Z: 8 13.798 1.985 0.249 0.884 1.000 1.000 CA 1.521 8 residues pruned to eliminate duplicates Z: 8 5.462 1.659 0.238 0.475 0.857 0.571 CB 1.203 Z: 29 20.957 2.188 0.667 0.365 0.893 0.536 CB 1.406 27 residues pruned to eliminate duplicates Z: 7 9.990 1.755 0.720 0.630 0.833 0.833 CA 1.435 Z: 7 3.200 1.369 0.325 0.401 1.000 0.667 N 0.799 Z: 42 44.593 2.247 0.566 0.741 0.951 0.756 CB 1.677 42 residues pruned to eliminate duplicates Z: 26 20.643 2.060 0.505 0.540 0.880 0.600 CB 1.455 26 residues pruned to eliminate duplicates Z: 23 13.226 2.013 0.361 0.370 0.864 0.455 CB 1.370 23 residues pruned to eliminate duplicates Z: 7 5.952 1.566 0.452 0.576 0.833 0.833 CA 1.191 Z: 15 23.879 2.135 0.862 0.889 1.000 0.786 CA 1.156 15 residues pruned to eliminate duplicates Z: 7 3.585 1.700 0.004 0.442 0.667 0.333 CA 1.364 Z: 6 11.192 1.727 0.795 0.822 1.000 0.800 CB 1.221 7 residues pruned to eliminate duplicates Z: 22 22.239 2.073 0.525 0.529 1.000 0.714 CA 1.492 22 residues pruned to eliminate duplicates Z: 23 11.383 1.912 0.405 0.326 0.773 0.591 CB 1.415 32 residues pruned to eliminate duplicates Z: 34 37.452 2.094 0.601 0.713 1.000 0.788 CB 1.603 34 residues pruned to eliminate duplicates Z: 10 11.520 1.945 0.667 0.459 0.889 0.556 CB 1.389 10 residues pruned to eliminate duplicates Z: 16 8.395 1.818 0.170 0.423 0.800 0.600 CA 1.380 16 residues pruned to eliminate duplicates Z: 8 6.630 1.744 0.355 0.481 0.714 0.571 N 1.514 8 residues pruned to eliminate duplicates Z: 6 5.350 2.034 0.385 0.607 0.600 0.600 CA 1.279 6 residues pruned to eliminate duplicates Z: 6 2.742 1.430 -0.119 0.636 0.800 0.800 CB 1.071 5 residues pruned to eliminate duplicates Z: 11 7.592 1.819 0.399 0.508 0.800 0.600 CB 1.170 11 residues pruned to eliminate duplicates Z: 27 26.602 2.170 0.695 0.513 1.000 0.500 CB 1.401 27 residues pruned to eliminate duplicates Z: 11 6.295 1.794 0.369 0.338 0.700 0.400 CA 1.381 11 residues pruned to eliminate duplicates Z: 11 2.598 1.595 -0.048 0.352 0.900 0.900 CA 0.706 11 residues pruned to eliminate duplicates Z: 8 3.302 1.602 0.100 0.436 0.857 0.571 N 0.883 Z: 7 4.154 1.634 0.104 0.517 1.000 0.667 N 0.924 6 residues pruned to eliminate duplicates 6 1.534 1.492 0.120 0.299 0.600 0.400 C 0.856 ? Z: 12 13.794 1.771 0.496 0.602 1.000 0.636 CB 1.425 11 residues pruned to eliminate duplicates Z: 9 10.397 1.861 0.806 0.624 0.750 0.750 CB 1.298 9 residues pruned to eliminate duplicates Z: 14 6.355 1.821 0.432 0.241 0.692 0.308 CB 1.318 8 residues pruned to eliminate duplicates Z: 17 26.338 2.175 0.781 0.914 1.000 0.812 CA 1.202 17 residues pruned to eliminate duplicates 6 -0.710 1.567 1.068 0.669 0.800 0.600 CB-0.105 ? Z: 21 22.535 1.998 0.818 0.924 0.900 0.450 CA 1.083 21 residues pruned to eliminate duplicates Z: 14 10.348 1.885 0.813 0.369 0.692 0.231 CA 1.397 14 residues pruned to eliminate duplicates Z: 10 11.646 1.916 0.563 0.533 1.000 1.000 N 1.255 10 residues pruned to eliminate duplicates Z: 15 5.226 1.769 -0.011 0.250 0.786 0.286 CB 1.354 13 residues pruned to eliminate duplicates Z: 14 9.743 2.129 0.172 0.418 0.846 0.615 CB 1.395 14 residues pruned to eliminate duplicates 6 0.795 1.596 -0.010 0.172 1.000 0.600 CB 0.335 ? Z: 44 24.818 2.178 0.572 0.340 0.907 0.558 CB 1.451 44 residues pruned to eliminate duplicates Z: 17 24.831 2.215 0.836 0.832 0.875 0.562 CB 1.309 17 residues pruned to eliminate duplicates Z: 20 11.961 1.814 0.575 0.344 0.789 0.526 CB 1.442 17 residues pruned to eliminate duplicates Z: 8 7.142 1.873 0.421 0.539 1.000 0.714 CB 0.976 9 residues pruned to eliminate duplicates Z: 6 8.971 1.796 0.167 0.771 1.000 0.400 CA 1.506 6 residues pruned to eliminate duplicates Z: 10 3.694 1.615 -0.038 0.487 0.667 0.444 CA 1.204 10 residues pruned to eliminate duplicates Z: 12 4.713 1.904 0.497 0.310 0.545 0.455 CB 1.128 12 residues pruned to eliminate duplicates 6 1.890 1.624 -0.059 0.298 0.600 0.400 CB 1.155 ? Z: 6 3.461 1.567 0.102 0.532 1.000 1.000 CB 0.868 6 1.034 1.231 0.743 0.291 0.400 0.400 CB 0.681 ? Z: 10 7.184 1.645 0.273 0.500 0.889 0.444 N 1.287 10 residues pruned to eliminate duplicates Z: 7 2.854 1.651 0.329 0.351 0.667 0.500 CB 0.936 Z: 12 6.893 1.786 -0.007 0.676 0.818 0.727 CA 1.218 12 residues pruned to eliminate duplicates Z: 8 5.601 1.778 0.129 0.563 0.857 0.571 CA 1.157 8 residues pruned to eliminate duplicates Z: 12 15.122 2.001 0.732 0.869 0.727 0.364 CB 1.321 12 residues pruned to eliminate duplicates Z: 7 5.982 1.513 0.444 0.523 1.000 0.833 O 1.093 7 residues pruned to eliminate duplicates Z: 8 7.127 2.065 0.518 0.664 1.000 0.571 CA 0.739 8 residues pruned to eliminate duplicates Z: 7 4.484 1.686 0.599 0.383 0.667 0.333 CB 1.153 Z: 7 3.134 1.288 0.138 0.504 1.000 0.667 CA 0.869 6 residues pruned to eliminate duplicates Z: 24 23.211 2.155 0.795 0.344 1.000 0.565 CA 1.483 24 residues pruned to eliminate duplicates Z: 10 3.547 1.586 0.333 0.428 0.889 0.444 CB 0.678 10 residues pruned to eliminate duplicates Z: 14 2.883 1.546 0.202 0.223 0.615 0.308 CB 0.967 21 residues pruned to eliminate duplicates Z: 17 11.046 1.891 0.392 0.404 0.875 0.500 CB 1.327 17 residues pruned to eliminate duplicates Z: 48 34.898 2.096 0.563 0.631 0.915 0.723 CB 1.501 48 residues pruned to eliminate duplicates Z: 16 4.618 1.461 0.395 0.246 0.867 0.400 CA 0.905 16 residues pruned to eliminate duplicates Z: 38 35.544 2.147 0.413 0.756 1.000 0.811 CB 1.533 38 residues pruned to eliminate duplicates 7 1.567 1.352 0.175 0.236 1.000 0.500 CB 0.547 ? Z: 48 31.849 2.012 0.585 0.648 0.936 0.660 CA 1.355 54 residues pruned to eliminate duplicates Z: 12 8.925 1.785 0.574 0.456 0.909 0.545 CB 1.102 6 1.956 1.500 0.513 0.313 0.400 0.400 O 1.186 ? Z: 31 29.384 2.024 0.523 0.758 0.933 0.800 CB 1.483 31 residues pruned to eliminate duplicates Z: 10 9.301 1.916 0.505 0.556 0.889 0.778 CB 1.146 9 residues pruned to eliminate duplicates Z: 8 3.946 1.776 0.414 0.214 0.714 0.571 CA 1.165 Z: 13 17.024 2.095 0.526 0.896 1.000 0.750 CA 1.101 13 residues pruned to eliminate duplicates Z: 6 3.567 1.582 0.513 0.367 0.800 0.400 C 0.961 Z: 18 25.973 1.920 0.532 0.892 1.000 0.824 CA 1.539 18 residues pruned to eliminate duplicates 6 1.737 1.518 0.357 0.121 0.600 0.400 CB 1.013 ? Z: 7 12.477 1.763 0.763 0.694 1.000 0.667 CB 1.373 7 residues pruned to eliminate duplicates 6 1.656 1.298 0.131 0.469 0.600 0.400 CB 0.868 ? Z: 7 5.878 1.567 0.522 0.808 0.833 0.333 CA 0.923 Z: 13 5.800 1.662 0.537 0.405 0.750 0.417 CA 0.966 11 residues pruned to eliminate duplicates Z: 17 10.910 1.914 0.374 0.468 0.875 0.562 CA 1.224 18 residues pruned to eliminate duplicates Z: 61 33.631 1.983 0.716 0.447 0.883 0.433 CA 1.525 64 residues pruned to eliminate duplicates Z: 8 3.196 1.469 0.424 0.491 0.857 0.143 CB 0.680 8 residues pruned to eliminate duplicates Z: 15 6.208 1.653 0.649 0.343 0.714 0.429 CB 1.011 15 residues pruned to eliminate duplicates Z: 9 16.320 2.167 0.439 0.841 1.000 0.750 CB 1.380 9 residues pruned to eliminate duplicates Z: 14 15.114 1.995 0.645 0.532 0.923 0.615 CB 1.340 14 residues pruned to eliminate duplicates Z: 14 5.860 1.672 0.192 0.458 0.923 0.615 CB 0.923 15 residues pruned to eliminate duplicates 8 1.580 1.183 0.728 0.317 0.714 0.571 C 0.501 ? Z: 6 2.398 1.386 0.467 0.298 0.800 0.400 CA 0.826 Z: 13 21.131 2.278 0.432 0.648 0.917 0.500 CB 1.778 13 residues pruned to eliminate duplicates Z: 18 20.566 2.158 0.667 0.879 0.765 0.235 CB 1.315 18 residues pruned to eliminate duplicates Z: 7 4.030 1.456 0.493 0.381 0.833 0.500 C 1.032 Z: 8 7.390 1.727 0.727 0.501 0.857 0.714 CB 1.092 9 residues pruned to eliminate duplicates Z: 28 16.095 2.160 0.309 0.354 0.852 0.481 CA 1.505 28 residues pruned to eliminate duplicates 7 1.993 1.407 0.101 0.360 0.667 0.500 N 0.916 ? 8 1.545 1.216 0.427 0.406 0.714 0.571 N 0.520 ? Z: 16 9.753 1.753 0.454 0.437 0.800 0.600 CB 1.317 16 residues pruned to eliminate duplicates Z: 8 4.974 1.663 0.701 0.228 0.714 0.429 CB 1.278 Z: 19 17.222 2.068 0.858 0.879 0.778 0.500 CA 0.985 19 residues pruned to eliminate duplicates Z: 8 5.386 1.546 0.336 0.470 0.857 0.286 CB 1.186 Z: 20 17.294 2.110 0.176 0.724 0.895 0.526 CB 1.459 20 residues pruned to eliminate duplicates Z: 9 2.743 1.477 0.597 0.185 0.625 0.375 O 0.960 Z: 13 3.067 1.447 0.353 0.325 0.667 0.333 CB 0.822 6 1.552 1.013 0.099 0.403 1.000 0.600 CB 0.691 ? Z: 24 25.549 1.997 0.731 0.752 0.870 0.739 CB 1.416 24 residues pruned to eliminate duplicates Z: 17 13.951 2.066 0.484 0.857 0.750 0.625 CA 1.118 17 residues pruned to eliminate duplicates Z: 7 6.118 1.635 0.850 0.544 0.833 0.833 N 0.949 7 1.326 1.249 0.414 0.177 0.500 0.333 CA 0.905 ? Z: 7 2.763 1.608 0.273 0.281 0.667 0.500 N 1.058 Z: 9 6.899 1.686 0.193 0.632 0.875 0.750 CB 1.225 9 residues pruned to eliminate duplicates Z: 9 3.506 1.688 0.194 0.347 0.625 0.500 CB 1.163 Z: 8 5.882 1.652 0.037 0.590 1.000 0.714 CB 1.191 Z: 8 3.517 1.459 0.280 0.473 0.714 0.286 C 1.025 Z: 8 5.514 1.557 0.106 0.500 1.000 0.714 N 1.210 Z: 32 23.397 1.957 0.730 0.637 0.935 0.419 CA 1.167 32 residues pruned to eliminate duplicates 7 1.991 1.423 -0.293 0.491 0.833 0.333 CB 0.978 ? Z: 17 32.342 2.201 1.034 0.858 0.875 0.438 CB 1.519 17 residues pruned to eliminate duplicates Z: 6 4.099 1.672 0.062 0.477 0.800 0.400 CA 1.320 6 residues pruned to eliminate duplicates Z: 7 2.045 1.421 0.219 0.364 0.833 0.500 CB 0.670 Z: 6 3.551 1.642 0.135 0.507 0.800 0.600 N 1.058 Z: 7 4.463 1.665 0.180 0.326 0.833 0.500 CA 1.348 7 residues pruned to eliminate duplicates Z: 23 26.865 2.156 0.322 0.764 1.000 0.909 CA 1.589 23 residues pruned to eliminate duplicates Z: 13 8.797 1.886 0.643 0.363 0.833 0.750 CA 1.139 13 residues pruned to eliminate duplicates Z: 7 6.871 1.503 1.053 0.524 1.000 0.500 CA 0.888 Z: 8 3.068 1.380 0.362 0.353 0.857 0.429 CB 0.844 Z: 6 2.937 1.388 0.235 0.449 0.800 0.600 C 1.010 6 residues pruned to eliminate duplicates Z: 32 17.714 1.946 0.557 0.501 0.839 0.581 CB 1.251 32 residues pruned to eliminate duplicates Z: 9 2.113 1.395 -0.055 0.201 0.750 0.500 CB 1.078 Z: 10 3.566 1.422 0.300 0.281 1.000 0.556 CB 0.823 Z: 9 2.957 1.443 0.222 0.332 0.750 0.500 CB 0.950 Z: 10 13.674 2.138 0.151 0.857 1.000 0.889 CA 1.365 10 residues pruned to eliminate duplicates Z: 18 14.270 1.988 0.314 0.596 0.882 0.706 CB 1.369 31 residues pruned to eliminate duplicates Z: 9 3.032 1.421 0.711 0.310 0.625 0.375 CB 0.871 Z: 40 40.430 2.147 0.685 0.718 0.974 0.744 CB 1.509 40 residues pruned to eliminate duplicates Z: 52 35.142 2.165 0.400 0.613 0.941 0.647 CB 1.550 70 residues pruned to eliminate duplicates Z: 24 26.195 1.864 0.434 0.910 1.000 0.870 CA 1.449 24 residues pruned to eliminate duplicates Z: 12 4.821 1.631 0.313 0.481 1.000 0.636 CB 0.692 Z: 7 5.317 1.436 0.463 0.561 1.000 0.667 CA 0.973 Z: 6 4.204 1.567 0.709 0.647 1.000 0.800 CB 0.612 Z: 19 11.933 1.710 0.680 0.444 0.889 0.500 CB 1.167 19 residues pruned to eliminate duplicates Z: 7 5.967 1.741 0.495 0.657 0.833 0.833 CB 0.971 6 residues pruned to eliminate duplicates Z: 8 5.362 1.590 0.172 0.602 0.857 0.571 CB 1.151 5 residues pruned to eliminate duplicates Z: 9 3.112 1.439 0.333 0.291 0.875 0.500 O 0.828 Z: 13 10.369 1.710 0.596 0.426 0.917 0.417 CB 1.291 13 residues pruned to eliminate duplicates Z: 16 14.181 1.861 0.864 0.813 0.800 0.533 CB 1.005 16 residues pruned to eliminate duplicates Z: 39 25.871 2.139 0.618 0.364 0.895 0.447 CA 1.568 36 residues pruned to eliminate duplicates Z: 22 37.154 2.206 0.906 0.855 0.952 0.524 CB 1.494 31 residues pruned to eliminate duplicates Z: 9 2.894 1.497 -0.136 0.397 0.875 0.500 CB 1.008 Z: 23 11.942 1.976 0.318 0.448 0.818 0.500 CB 1.261 23 residues pruned to eliminate duplicates 9 1.345 1.344 -0.090 0.281 0.750 0.375 CB 0.664 ? Z: 12 9.908 1.884 0.378 0.411 0.909 0.545 CA 1.389 12 residues pruned to eliminate duplicates Z: 8 8.760 1.756 0.362 0.568 1.000 0.714 CA 1.297 7 residues pruned to eliminate duplicates Z: 38 33.274 2.173 0.546 0.612 0.919 0.568 CA 1.593 38 residues pruned to eliminate duplicates Z: 11 7.319 1.634 0.570 0.396 0.800 0.400 CB 1.260 11 residues pruned to eliminate duplicates Z: 11 13.164 1.991 0.314 0.520 1.000 0.700 CB 1.559 11 residues pruned to eliminate duplicates Z: 6 3.288 1.540 0.064 0.545 0.800 0.400 CB 1.074 6 1.365 1.373 0.203 0.445 0.800 0.600 N 0.489 ? Z: 13 6.341 1.649 0.335 0.362 0.750 0.583 CB 1.287 13 residues pruned to eliminate duplicates Z: 7 2.609 1.309 0.760 0.392 0.667 0.500 N 0.777 Z: 10 4.518 1.515 0.397 0.412 0.778 0.556 N 1.003 Z: 10 8.193 2.082 0.332 0.452 0.778 0.556 CB 1.330 10 residues pruned to eliminate duplicates Z: 14 3.985 1.690 0.264 0.278 0.615 0.308 CB 1.080 Z: 8 3.416 1.360 0.288 0.306 0.857 0.714 N 1.067 Z: 15 13.732 2.010 0.675 0.899 0.857 0.500 CA 0.909 15 residues pruned to eliminate duplicates Z: 9 3.039 1.486 0.145 0.453 0.875 0.500 CB 0.757 Z: 8 2.624 1.463 0.268 0.461 0.857 0.714 CB 0.649 Z: 21 29.925 2.215 0.566 0.907 0.900 0.600 CB 1.524 21 residues pruned to eliminate duplicates Z: 11 7.709 1.866 0.605 0.264 0.700 0.600 CB 1.521 11 residues pruned to eliminate duplicates Z: 7 2.302 1.104 0.600 0.373 0.833 0.500 N 0.731 Z: 6 4.889 1.401 0.386 0.642 1.000 0.600 CB 0.986 Z: 15 9.350 2.060 0.330 0.369 0.643 0.357 CB 1.633 29 residues pruned to eliminate duplicates Z: 12 4.113 1.466 0.290 0.220 0.818 0.455 CB 1.113 10 1.978 1.556 -0.125 0.305 0.778 0.556 C 0.774 ? Z: 17 20.089 2.090 0.586 0.508 1.000 0.500 CB 1.503 17 residues pruned to eliminate duplicates Z: 20 12.857 1.824 0.719 0.283 0.895 0.474 CA 1.343 20 residues pruned to eliminate duplicates Z: 6 5.549 1.605 1.014 0.469 0.800 0.600 CB 0.991 6 residues pruned to eliminate duplicates Z: 12 23.244 1.970 0.916 0.817 1.000 0.818 CA 1.409 12 residues pruned to eliminate duplicates Z: 14 15.952 2.047 0.466 0.825 0.769 0.308 CA 1.447 14 residues pruned to eliminate duplicates Z: 6 2.851 1.400 0.179 0.491 0.800 0.800 CB 0.974 Z: 17 3.955 1.617 0.074 0.202 0.688 0.500 CA 1.179 17 residues pruned to eliminate duplicates Z: 7 5.264 1.295 0.496 0.767 1.000 0.833 CB 0.875 Z: 7 3.340 1.540 0.252 0.292 0.833 0.833 C 1.071 Z: 14 11.699 2.020 0.680 0.235 0.923 0.538 CA 1.410 14 residues pruned to eliminate duplicates Z: 22 19.843 2.058 0.404 0.749 0.952 0.857 CB 1.259 22 residues pruned to eliminate duplicates Z: 7 8.783 1.678 0.756 0.657 1.000 0.833 CB 1.051 6 residues pruned to eliminate duplicates 6 1.079 1.011 0.640 0.402 0.600 0.600 O 0.538 ? Z: 8 4.416 1.380 0.381 0.516 0.857 0.714 CB 1.006 Z: 20 21.477 1.913 0.804 0.859 0.947 0.737 CA 1.109 20 residues pruned to eliminate duplicates Z: 6 4.035 1.414 0.426 0.656 1.000 0.800 CB 0.774 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 16 9.799 1.991 0.352 0.377 0.733 0.400 CA 1.461 16 residues pruned to eliminate duplicates Z: 15 11.812 2.045 0.425 0.469 0.786 0.643 CB 1.423 15 residues pruned to eliminate duplicates Z: 16 10.204 1.961 0.342 0.376 0.800 0.533 CB 1.428 16 residues pruned to eliminate duplicates Z: 18 10.689 1.863 0.500 0.387 0.824 0.471 CA 1.269 18 residues pruned to eliminate duplicates Z: 10 5.828 2.034 0.353 0.283 0.667 0.333 CB 1.353 10 residues pruned to eliminate duplicates Z: 21 9.139 1.875 0.328 0.359 0.750 0.600 CB 1.275 21 residues pruned to eliminate duplicates Z: 15 10.092 1.944 0.280 0.475 0.857 0.643 CB 1.296 15 residues pruned to eliminate duplicates Z: 14 9.224 2.077 0.349 0.421 0.692 0.615 CB 1.432 14 residues pruned to eliminate duplicates Z: 34 14.732 1.928 0.510 0.365 0.788 0.545 CB 1.292 37 residues pruned to eliminate duplicates Z: 6 2.195 1.575 0.289 0.344 0.600 0.400 CA 0.954 6 residues pruned to eliminate duplicates Z: 14 11.342 2.068 0.180 0.489 0.923 0.769 CB 1.411 14 residues pruned to eliminate duplicates Z: 14 14.221 2.076 0.555 0.523 0.846 0.615 CB 1.411 14 residues pruned to eliminate duplicates Z: 8 10.353 1.825 0.131 0.728 1.000 0.714 O 1.544 14 residues pruned to eliminate duplicates Z: 6 2.237 1.389 -0.186 0.432 1.000 0.200 CB 0.950 6 residues pruned to eliminate duplicates Z: 25 13.480 2.011 0.400 0.323 0.792 0.542 CB 1.501 25 residues pruned to eliminate duplicates Z: 17 9.430 1.940 0.502 0.370 0.625 0.500 CB 1.488 25 residues pruned to eliminate duplicates Z: 26 13.646 1.922 0.488 0.386 0.760 0.560 CB 1.417 26 residues pruned to eliminate duplicates Z: 21 12.407 1.986 0.583 0.235 0.800 0.450 CB 1.500 21 residues pruned to eliminate duplicates Z: 21 10.358 1.946 0.428 0.227 0.800 0.450 CB 1.433 21 residues pruned to eliminate duplicates Z: 17 11.299 1.925 0.468 0.339 0.812 0.625 CB 1.466 17 residues pruned to eliminate duplicates Z: 20 10.647 1.954 0.583 0.279 0.737 0.421 CB 1.376 20 residues pruned to eliminate duplicates Z: 19 13.983 1.988 0.611 0.333 0.833 0.444 CB 1.482 19 residues pruned to eliminate duplicates Z: 25 12.597 1.891 0.546 0.306 0.750 0.417 CB 1.454 25 residues pruned to eliminate duplicates Z: 17 13.343 1.970 0.571 0.378 0.812 0.500 CB 1.512 17 residues pruned to eliminate duplicates Z: 19 13.943 2.012 0.571 0.294 0.833 0.611 CA 1.571 19 residues pruned to eliminate duplicates Z: 22 12.711 1.916 0.483 0.314 0.857 0.524 CA 1.399 22 residues pruned to eliminate duplicates Z: 24 13.671 1.994 0.389 0.366 0.783 0.478 CB 1.518 24 residues pruned to eliminate duplicates Z: 11 9.965 1.965 0.403 0.379 0.900 0.400 CB 1.445 11 residues pruned to eliminate duplicates Z: 27 14.035 1.920 0.392 0.385 0.808 0.654 CB 1.440 27 residues pruned to eliminate duplicates Z: 15 10.850 1.952 0.342 0.365 0.857 0.643 CB 1.493 15 residues pruned to eliminate duplicates Z: 13 10.829 1.883 0.499 0.418 0.917 0.750 CA 1.315 13 residues pruned to eliminate duplicates Z: 27 16.923 1.949 0.501 0.422 0.808 0.731 CB 1.524 27 residues pruned to eliminate duplicates Z: 13 7.324 1.804 0.309 0.339 0.917 0.667 CB 1.164 13 residues pruned to eliminate duplicates Z: 11 6.784 1.950 0.411 0.365 0.900 0.800 CB 1.001 11 residues pruned to eliminate duplicates Z: 26 12.214 1.900 0.452 0.334 0.800 0.560 CB 1.327 26 residues pruned to eliminate duplicates Z: 8 3.599 1.707 0.394 0.174 0.714 0.286 CA 1.187 22 residues pruned to eliminate duplicates Z: 9 3.210 1.845 0.231 0.118 0.625 0.375 CA 1.294 9 residues pruned to eliminate duplicates Z: 10 6.050 1.819 0.468 0.293 0.667 0.333 CA 1.429 Z: 17 7.254 1.756 0.634 0.288 0.688 0.438 CA 1.167 10 residues pruned to eliminate duplicates Z: 6 5.137 1.820 0.207 0.433 0.800 0.600 CB 1.402 6 residues pruned to eliminate duplicates Z: 6 4.556 2.073 0.317 0.525 0.600 0.200 CA 1.214 6 residues pruned to eliminate duplicates Z: 10 6.184 1.674 0.794 0.426 0.889 0.667 CB 0.834 8 residues pruned to eliminate duplicates Z: 6 3.021 1.237 0.453 0.438 1.000 1.000 CB 0.801 6 residues pruned to eliminate duplicates Z: 13 16.739 1.843 1.142 0.610 0.833 0.667 CB 1.323 10 residues pruned to eliminate duplicates Z: 6 5.052 1.678 0.190 0.556 1.000 0.600 CB 1.071 Z: 6 5.146 1.511 0.504 0.759 1.000 0.600 CA 0.804 Z: 6 6.838 2.007 0.430 0.387 1.000 0.600 CA 1.202 12 residues pruned to eliminate duplicates Z: 12 10.513 1.968 0.387 0.450 0.818 0.636 N 1.495 12 residues pruned to eliminate duplicates Z: 11 15.916 2.070 0.520 0.562 0.900 0.600 CA 1.672 10 residues pruned to eliminate duplicates Z: 6 4.209 1.707 0.275 0.320 1.000 1.000 CA 1.055 6 residues pruned to eliminate duplicates Z: 11 17.312 2.159 0.614 0.549 0.900 0.600 CA 1.664 11 residues pruned to eliminate duplicates Z: 7 6.185 1.611 0.745 0.496 0.833 0.667 CB 1.083 7 residues pruned to eliminate duplicates Z: 14 16.998 1.980 0.492 0.496 1.000 0.692 CA 1.602 14 residues pruned to eliminate duplicates Z: 16 16.422 1.918 0.480 0.485 0.933 0.733 CB 1.625 16 residues pruned to eliminate duplicates Z: 14 17.035 1.965 0.623 0.511 0.923 0.692 CA 1.588 14 residues pruned to eliminate duplicates Z: 16 17.901 1.913 0.711 0.451 0.933 0.667 C 1.592 16 residues pruned to eliminate duplicates Z: 13 20.488 2.032 0.773 0.560 0.917 0.500 CA 1.689 14 residues pruned to eliminate duplicates Z: 10 19.369 1.995 0.790 0.572 1.000 0.778 CA 1.687 10 residues pruned to eliminate duplicates Z: 16 17.643 1.869 0.730 0.488 0.933 0.667 C 1.528 16 residues pruned to eliminate duplicates Z: 15 15.007 1.891 0.658 0.487 0.929 0.714 CA 1.396 15 residues pruned to eliminate duplicates Z: 57 28.076 2.062 0.583 0.348 0.893 0.500 CB 1.518 57 residues pruned to eliminate duplicates Z: 15 20.566 1.955 0.788 0.473 1.000 0.571 CA 1.617 13 residues pruned to eliminate duplicates Z: 6 5.932 1.617 0.415 0.575 0.800 0.600 CB 1.347 6 residues pruned to eliminate duplicates Z: 14 18.994 1.937 0.788 0.549 0.923 0.615 C 1.571 14 residues pruned to eliminate duplicates Z: 14 8.399 1.900 0.399 0.321 0.769 0.308 CB 1.388 14 residues pruned to eliminate duplicates Z: 32 21.636 2.165 0.462 0.414 0.871 0.516 CB 1.542 32 residues pruned to eliminate duplicates Z: 32 24.923 2.145 0.627 0.411 0.935 0.419 CB 1.506 31 residues pruned to eliminate duplicates Z: 6 7.332 1.844 0.548 0.618 0.800 0.200 CB 1.285 6 residues pruned to eliminate duplicates Z: 67 28.753 2.174 0.480 0.345 0.848 0.485 CB 1.533 69 residues pruned to eliminate duplicates Z: 10 8.298 1.756 0.531 0.567 0.889 0.667 CA 1.084 10 residues pruned to eliminate duplicates Z: 31 25.721 2.179 0.726 0.398 0.933 0.500 CB 1.491 31 residues pruned to eliminate duplicates Z: 31 17.970 2.194 0.368 0.378 0.867 0.633 CB 1.436 31 residues pruned to eliminate duplicates Z: 40 23.175 2.144 0.539 0.327 0.897 0.564 CB 1.516 40 residues pruned to eliminate duplicates Z: 34 17.342 2.112 0.380 0.339 0.879 0.455 CB 1.405 34 residues pruned to eliminate duplicates Z: 30 19.974 2.232 0.460 0.355 0.897 0.552 CB 1.485 30 residues pruned to eliminate duplicates Z: 58 27.096 2.221 0.534 0.312 0.842 0.544 CB 1.540 58 residues pruned to eliminate duplicates Z: 31 22.702 2.234 0.571 0.372 0.867 0.600 CB 1.563 31 residues pruned to eliminate duplicates Z: 31 21.550 2.234 0.497 0.332 0.900 0.500 CB 1.571 31 residues pruned to eliminate duplicates Z: 32 25.785 2.142 0.621 0.404 0.935 0.548 CB 1.578 31 residues pruned to eliminate duplicates 6 1.877 1.474 0.738 0.258 0.600 0.200 C 0.720 ? Z: 6 4.077 1.512 1.023 0.405 0.600 0.600 C 1.098 6 residues pruned to eliminate duplicates Z: 30 23.063 2.170 0.543 0.342 0.931 0.414 CA 1.631 30 residues pruned to eliminate duplicates Z: 48 22.143 2.152 0.401 0.316 0.830 0.532 CA 1.581 48 residues pruned to eliminate duplicates Z: 18 12.762 2.158 0.552 0.422 0.706 0.529 CB 1.420 18 residues pruned to eliminate duplicates Z: 32 21.164 2.186 0.529 0.364 0.871 0.581 CB 1.512 32 residues pruned to eliminate duplicates Z: 33 18.999 2.141 0.501 0.339 0.844 0.531 CB 1.475 33 residues pruned to eliminate duplicates Z: 30 24.469 2.246 0.671 0.355 0.897 0.414 CB 1.579 30 residues pruned to eliminate duplicates Z: 50 27.008 2.176 0.646 0.321 0.878 0.469 CB 1.495 50 residues pruned to eliminate duplicates Z: 60 30.637 2.160 0.604 0.326 0.898 0.542 CB 1.551 60 residues pruned to eliminate duplicates Z: 59 26.596 2.145 0.556 0.326 0.862 0.448 CB 1.469 59 residues pruned to eliminate duplicates Z: 58 27.714 2.165 0.591 0.325 0.825 0.509 CB 1.566 58 residues pruned to eliminate duplicates Z: 55 27.687 2.175 0.529 0.301 0.907 0.556 CB 1.560 55 residues pruned to eliminate duplicates Z: 22 15.922 2.059 0.507 0.378 0.857 0.571 CA 1.489 22 residues pruned to eliminate duplicates Z: 44 24.971 2.182 0.524 0.357 0.837 0.512 CB 1.595 44 residues pruned to eliminate duplicates Z: 48 25.479 2.169 0.519 0.342 0.894 0.489 CB 1.499 48 residues pruned to eliminate duplicates Z: 37 24.173 2.150 0.553 0.364 0.917 0.583 CB 1.523 37 residues pruned to eliminate duplicates Z: 55 27.145 2.184 0.647 0.291 0.852 0.500 CB 1.524 55 residues pruned to eliminate duplicates Z: 45 28.824 2.210 0.573 0.349 0.909 0.523 CB 1.619 45 residues pruned to eliminate duplicates Z: 57 29.834 2.134 0.632 0.351 0.893 0.500 CB 1.507 57 residues pruned to eliminate duplicates Z: 31 18.958 2.118 0.445 0.372 0.867 0.567 CB 1.496 31 residues pruned to eliminate duplicates Z: 29 20.418 2.165 0.455 0.410 0.857 0.571 CA 1.570 29 residues pruned to eliminate duplicates Z: 61 25.265 2.146 0.409 0.301 0.867 0.550 CB 1.554 61 residues pruned to eliminate duplicates Z: 58 25.588 2.173 0.412 0.330 0.877 0.491 CB 1.517 58 residues pruned to eliminate duplicates Z: 42 23.179 2.110 0.451 0.383 0.854 0.512 CA 1.570 42 residues pruned to eliminate duplicates Z: 59 24.057 2.213 0.326 0.324 0.845 0.483 CB 1.546 59 residues pruned to eliminate duplicates Z: 19 15.283 2.075 0.428 0.462 0.889 0.444 CB 1.422 19 residues pruned to eliminate duplicates Z: 18 9.558 2.014 0.164 0.363 0.765 0.471 CB 1.498 18 residues pruned to eliminate duplicates Z: 29 16.943 2.130 0.327 0.379 0.821 0.643 CA 1.569 29 residues pruned to eliminate duplicates Z: 60 24.780 2.165 0.414 0.321 0.831 0.542 CB 1.545 60 residues pruned to eliminate duplicates Z: 61 29.972 2.174 0.521 0.331 0.883 0.517 CB 1.594 61 residues pruned to eliminate duplicates Z: 59 25.170 2.114 0.453 0.335 0.862 0.448 CB 1.494 59 residues pruned to eliminate duplicates Z: 29 18.412 2.128 0.341 0.394 0.857 0.536 CB 1.592 29 residues pruned to eliminate duplicates Z: 56 39.883 2.202 0.486 0.625 0.909 0.691 CB 1.608 56 residues pruned to eliminate duplicates Z: 70 28.713 2.121 0.470 0.323 0.884 0.420 CB 1.523 70 residues pruned to eliminate duplicates Z: 48 24.795 2.179 0.354 0.346 0.915 0.511 CB 1.584 48 residues pruned to eliminate duplicates Z: 68 24.069 2.091 0.453 0.290 0.806 0.463 CB 1.519 68 residues pruned to eliminate duplicates Z: 12 5.705 2.039 0.138 0.200 0.636 0.364 CA 1.664 12 residues pruned to eliminate duplicates Z: 40 17.710 2.028 0.272 0.319 0.872 0.436 CA 1.539 40 residues pruned to eliminate duplicates Z: 11 7.550 2.113 0.079 0.322 0.700 0.300 CB 1.820 11 residues pruned to eliminate duplicates Z: 22 14.377 2.131 0.157 0.365 0.905 0.476 CA 1.627 22 residues pruned to eliminate duplicates Z: 56 39.086 2.161 0.456 0.625 0.945 0.636 CB 1.575 56 residues pruned to eliminate duplicates Z: 66 42.628 2.229 0.441 0.570 0.954 0.662 CB 1.613 66 residues pruned to eliminate duplicates Z: 20 12.626 2.147 0.010 0.361 0.895 0.368 CB 1.736 20 residues pruned to eliminate duplicates Z: 18 11.384 2.066 0.155 0.394 0.824 0.412 CA 1.571 18 residues pruned to eliminate duplicates Z: 68 26.585 2.137 0.376 0.308 0.851 0.463 CB 1.607 68 residues pruned to eliminate duplicates Z: 55 36.023 2.165 0.399 0.594 0.944 0.630 CA 1.566 55 residues pruned to eliminate duplicates Z: 53 36.582 2.214 0.365 0.627 0.904 0.615 CA 1.648 53 residues pruned to eliminate duplicates Z: 51 42.665 2.205 0.594 0.634 0.940 0.800 CB 1.611 51 residues pruned to eliminate duplicates Z: 49 36.537 2.234 0.390 0.611 0.958 0.688 CA 1.595 49 residues pruned to eliminate duplicates Z: 43 39.987 2.265 0.443 0.688 0.976 0.690 CA 1.627 43 residues pruned to eliminate duplicates Z: 118 46.540 2.191 0.437 0.448 0.906 0.573 CB 1.591 108 residues pruned to eliminate duplicates Z: 22 34.950 2.276 0.467 0.871 1.000 0.857 CA 1.666 22 residues pruned to eliminate duplicates Z: 44 36.123 2.186 0.426 0.705 0.977 0.721 CA 1.501 44 residues pruned to eliminate duplicates Z: 48 36.132 2.166 0.418 0.651 0.957 0.681 CB 1.557 48 residues pruned to eliminate duplicates Z: 56 40.163 2.143 0.611 0.579 0.927 0.455 CB 1.568 56 residues pruned to eliminate duplicates Z: 56 42.504 2.222 0.573 0.577 0.945 0.600 CB 1.611 56 residues pruned to eliminate duplicates Z: 50 40.577 2.177 0.588 0.634 0.959 0.510 CA 1.542 50 residues pruned to eliminate duplicates Z: 103 46.865 2.211 0.456 0.458 0.922 0.559 CA 1.632 103 residues pruned to eliminate duplicates Z: 43 44.821 2.271 0.611 0.708 0.952 0.667 CB 1.644 43 residues pruned to eliminate duplicates Z: 46 37.394 2.197 0.458 0.649 0.978 0.578 CA 1.549 46 residues pruned to eliminate duplicates Z: 43 43.950 2.267 0.581 0.704 0.976 0.548 CB 1.609 43 residues pruned to eliminate duplicates Z: 44 36.744 2.234 0.470 0.674 0.930 0.535 CB 1.563 44 residues pruned to eliminate duplicates Z: 56 39.392 2.222 0.525 0.579 0.945 0.582 CB 1.536 56 residues pruned to eliminate duplicates Z: 44 42.628 2.228 0.501 0.715 0.977 0.674 CA 1.638 44 residues pruned to eliminate duplicates Z: 42 49.908 2.273 0.741 0.711 0.976 0.659 CA 1.667 42 residues pruned to eliminate duplicates Z: 44 41.997 2.244 0.658 0.703 0.907 0.605 CB 1.578 44 residues pruned to eliminate duplicates Z: 105 49.524 2.188 0.547 0.480 0.913 0.538 CA 1.603 110 residues pruned to eliminate duplicates Z: 20 43.111 2.261 0.900 0.925 1.000 0.684 CA 1.615 20 residues pruned to eliminate duplicates Z: 47 34.005 2.160 0.691 0.545 0.870 0.478 CB 1.510 47 residues pruned to eliminate duplicates Z: 44 39.225 2.222 0.537 0.677 0.953 0.558 CB 1.561 44 residues pruned to eliminate duplicates Z: 43 42.031 2.267 0.564 0.680 0.952 0.595 CB 1.628 43 residues pruned to eliminate duplicates Z: 54 46.715 2.254 0.649 0.620 0.962 0.566 CB 1.602 54 residues pruned to eliminate duplicates Z: 17 16.449 2.173 0.282 0.579 1.000 0.688 CB 1.368 17 residues pruned to eliminate duplicates Z: 18 16.405 2.163 0.357 0.546 0.882 0.529 CB 1.469 18 residues pruned to eliminate duplicates Z: 41 41.387 2.242 0.595 0.665 0.950 0.550 CA 1.653 41 residues pruned to eliminate duplicates Z: 31 29.185 2.259 0.557 0.691 0.900 0.567 CB 1.413 31 residues pruned to eliminate duplicates Z: 36 20.895 2.037 0.536 0.443 0.886 0.457 CB 1.352 36 residues pruned to eliminate duplicates Z: 19 15.330 2.113 0.328 0.506 0.889 0.444 CB 1.440 19 residues pruned to eliminate duplicates Z: 43 42.081 2.245 0.583 0.661 0.976 0.595 CB 1.612 43 residues pruned to eliminate duplicates Z: 119 47.972 2.170 0.503 0.422 0.915 0.458 CB 1.604 119 residues pruned to eliminate duplicates Z: 45 39.792 2.245 0.534 0.678 0.955 0.727 CB 1.549 45 residues pruned to eliminate duplicates Z: 105 47.811 2.219 0.467 0.464 0.913 0.558 CB 1.636 105 residues pruned to eliminate duplicates Z: 17 19.049 2.177 0.469 0.613 1.000 0.562 CB 1.338 17 residues pruned to eliminate duplicates Z: 69 39.893 2.171 0.466 0.552 0.912 0.471 CB 1.585 69 residues pruned to eliminate duplicates Z: 16 18.262 2.224 0.549 0.418 1.000 0.333 CB 1.491 16 residues pruned to eliminate duplicates Z: 57 35.138 2.188 0.509 0.572 0.893 0.482 CB 1.485 57 residues pruned to eliminate duplicates Z: 53 47.260 2.259 0.603 0.639 1.000 0.462 CB 1.589 53 residues pruned to eliminate duplicates Z: 27 13.990 1.972 0.634 0.410 0.808 0.308 CB 1.158 27 residues pruned to eliminate duplicates Z: 12 14.574 2.156 0.816 0.306 0.818 0.273 CB 1.702 12 residues pruned to eliminate duplicates Z: 7 7.482 1.747 0.888 0.414 0.833 0.667 CA 1.216 7 residues pruned to eliminate duplicates Z: 54 48.036 2.253 0.636 0.621 0.981 0.472 CA 1.627 54 residues pruned to eliminate duplicates Z: 6 9.595 2.117 0.872 0.352 1.000 0.400 CA 1.270 6 residues pruned to eliminate duplicates Z: 6 7.658 2.016 0.914 0.272 1.000 0.200 CA 1.150 6 residues pruned to eliminate duplicates Z: 15 10.023 2.047 0.420 0.241 0.857 0.357 CB 1.451 15 residues pruned to eliminate duplicates Z: 53 35.555 2.127 0.642 0.576 0.904 0.423 CB 1.452 53 residues pruned to eliminate duplicates Z: 31 24.777 2.095 0.802 0.415 0.933 0.267 CB 1.403 31 residues pruned to eliminate duplicates Z: 64 39.643 2.050 0.669 0.523 0.937 0.635 CA 1.523 64 residues pruned to eliminate duplicates Z: 53 36.369 2.097 0.582 0.486 0.981 0.615 CA 1.572 53 residues pruned to eliminate duplicates Z: 6 4.330 1.647 0.309 0.323 1.000 0.200 CA 1.092 6 residues pruned to eliminate duplicates Z: 58 39.126 2.113 0.623 0.523 0.965 0.579 CA 1.531 58 residues pruned to eliminate duplicates Z: 33 21.188 2.052 0.772 0.301 0.938 0.438 CA 1.372 33 residues pruned to eliminate duplicates Z: 60 35.812 2.022 0.761 0.508 0.881 0.610 CB 1.473 60 residues pruned to eliminate duplicates Z: 59 39.978 2.103 0.613 0.544 0.948 0.655 CA 1.563 59 residues pruned to eliminate duplicates Z: 31 19.683 2.057 0.676 0.289 0.967 0.433 CA 1.366 31 residues pruned to eliminate duplicates Z: 54 36.878 2.086 0.681 0.511 0.925 0.547 CA 1.545 54 residues pruned to eliminate duplicates Z: 58 37.587 2.099 0.541 0.508 0.982 0.561 CA 1.555 58 residues pruned to eliminate duplicates Z: 58 42.758 2.115 0.749 0.549 0.947 0.544 CA 1.541 58 residues pruned to eliminate duplicates Z: 45 37.372 2.113 0.689 0.620 0.955 0.773 CA 1.477 45 residues pruned to eliminate duplicates Z: 53 49.217 2.141 0.849 0.602 0.981 0.673 CA 1.595 54 residues pruned to eliminate duplicates Z: 6 4.063 1.624 0.615 0.427 0.800 0.600 CB 0.935 6 residues pruned to eliminate duplicates Z: 36 22.019 2.019 0.500 0.420 0.943 0.514 CA 1.417 36 residues pruned to eliminate duplicates Z: 55 38.002 2.084 0.637 0.550 0.963 0.685 CA 1.499 55 residues pruned to eliminate duplicates Z: 41 35.145 2.139 0.678 0.567 0.950 0.625 CA 1.527 41 residues pruned to eliminate duplicates Z: 54 32.680 2.080 0.610 0.480 0.925 0.623 CA 1.479 54 residues pruned to eliminate duplicates Z: 38 26.674 2.085 0.728 0.381 0.946 0.568 CB 1.460 38 residues pruned to eliminate duplicates Z: 37 31.471 2.027 0.554 0.696 0.917 0.722 CB 1.519 37 residues pruned to eliminate duplicates Z: 34 28.993 2.066 0.515 0.695 0.939 0.758 CA 1.437 34 residues pruned to eliminate duplicates Z: 35 33.785 2.059 0.553 0.719 0.912 0.765 CB 1.630 34 residues pruned to eliminate duplicates Z: 6 5.899 1.687 0.790 0.391 0.800 0.600 CA 1.226 6 residues pruned to eliminate duplicates Z: 34 29.420 2.036 0.605 0.596 0.939 0.667 CB 1.522 34 residues pruned to eliminate duplicates Z: 44 39.463 2.141 0.720 0.625 0.953 0.721 CA 1.523 44 residues pruned to eliminate duplicates Z: 6 6.011 1.897 0.282 0.549 1.000 0.800 CB 1.053 6 residues pruned to eliminate duplicates Z: 46 38.046 2.131 0.707 0.620 0.889 0.667 CA 1.566 46 residues pruned to eliminate duplicates Z: 59 41.379 2.086 0.748 0.526 0.931 0.552 CA 1.560 59 residues pruned to eliminate duplicates Z: 47 41.371 2.090 0.781 0.633 0.913 0.674 CA 1.585 47 residues pruned to eliminate duplicates Z: 44 39.308 2.151 0.799 0.609 0.884 0.605 CB 1.581 44 residues pruned to eliminate duplicates Z: 34 40.241 2.098 0.772 0.726 0.939 0.697 CB 1.636 35 residues pruned to eliminate duplicates Z: 21 34.454 2.101 0.718 0.929 1.000 0.750 CB 1.493 21 residues pruned to eliminate duplicates Z: 38 33.165 2.036 0.661 0.670 0.892 0.595 CA 1.545 38 residues pruned to eliminate duplicates Z: 48 36.963 1.970 0.801 0.618 0.915 0.681 CB 1.486 46 residues pruned to eliminate duplicates Z: 22 37.621 2.080 0.821 0.900 0.952 0.619 CB 1.625 22 residues pruned to eliminate duplicates Z: 61 43.548 2.041 0.856 0.526 0.933 0.583 CB 1.549 61 residues pruned to eliminate duplicates Z: 28 31.710 2.042 0.759 0.724 0.926 0.704 CB 1.498 28 residues pruned to eliminate duplicates Z: 45 44.930 2.157 0.865 0.623 0.955 0.636 CB 1.570 45 residues pruned to eliminate duplicates Z: 37 37.889 2.060 0.790 0.690 0.917 0.639 CB 1.569 37 residues pruned to eliminate duplicates Z: 35 36.576 2.057 0.782 0.704 0.882 0.647 CB 1.610 35 residues pruned to eliminate duplicates Z: 56 42.013 2.100 0.819 0.579 0.909 0.618 CA 1.512 56 residues pruned to eliminate duplicates Z: 42 26.797 1.934 0.704 0.575 0.878 0.610 CB 1.345 42 residues pruned to eliminate duplicates Z: 36 35.432 2.076 0.754 0.692 0.857 0.629 CB 1.610 36 residues pruned to eliminate duplicates Z: 50 39.840 2.045 0.832 0.582 0.918 0.551 CB 1.530 50 residues pruned to eliminate duplicates Z: 35 31.812 2.059 0.725 0.707 0.853 0.588 CB 1.493 35 residues pruned to eliminate duplicates Z: 45 27.708 1.972 0.701 0.600 0.818 0.409 CB 1.383 42 residues pruned to eliminate duplicates Z: 6 3.798 1.881 -0.058 0.274 0.800 0.000 CA 1.547 6 residues pruned to eliminate duplicates Z: 6 4.080 1.891 -0.202 0.297 1.000 0.200 CA 1.519 6 residues pruned to eliminate duplicates Z: 7 6.120 1.982 -0.024 0.621 1.000 0.667 CA 1.153 6 residues pruned to eliminate duplicates Z: 6 3.232 1.449 0.221 0.703 0.800 0.600 O 0.849 5 residues pruned to eliminate duplicates Z: 6 11.634 1.994 0.348 0.729 1.000 0.800 CA 1.574 6 residues pruned to eliminate duplicates Z: 15 8.426 1.732 0.295 0.571 0.929 0.643 CA 1.010 15 residues pruned to eliminate duplicates Z: 17 11.755 1.869 0.492 0.417 0.812 0.625 CA 1.414 14 residues pruned to eliminate duplicates Z: 7 10.309 1.782 0.627 0.779 1.000 0.500 CA 1.135 7 residues pruned to eliminate duplicates Z: 14 10.434 1.889 0.484 0.471 0.923 0.615 CA 1.151 14 residues pruned to eliminate duplicates Z: 9 6.784 1.796 0.284 0.582 0.875 0.750 CA 1.099 13 residues pruned to eliminate duplicates Z: 6 9.517 1.830 1.148 0.469 1.000 0.400 CB 1.118 Z: 6 9.089 1.668 1.074 0.479 1.000 0.400 CA 1.200 6 residues pruned to eliminate duplicates Z: 13 25.961 2.102 0.858 0.720 1.000 0.750 CB 1.573 6 residues pruned to eliminate duplicates Z: 12 15.984 1.920 0.732 0.701 0.909 0.727 CB 1.328 12 residues pruned to eliminate duplicates Z: 10 16.085 1.812 0.538 0.859 1.000 0.889 CA 1.416 10 residues pruned to eliminate duplicates Z: 14 16.444 1.975 0.642 0.612 0.846 0.538 CA 1.495 14 residues pruned to eliminate duplicates Z: 12 26.597 2.174 0.809 0.756 1.000 0.909 CB 1.623 12 residues pruned to eliminate duplicates Z: 10 10.781 1.930 0.368 0.808 0.778 0.556 CA 1.337 10 residues pruned to eliminate duplicates Z: 13 25.643 2.148 0.741 0.727 1.000 0.667 CB 1.613 13 residues pruned to eliminate duplicates Z: 14 24.439 2.109 0.667 0.730 0.923 0.692 CB 1.699 14 residues pruned to eliminate duplicates Z: 14 22.203 2.104 0.712 0.622 0.846 0.692 CB 1.801 14 residues pruned to eliminate duplicates Z: 16 11.802 1.749 0.593 0.413 0.933 0.667 CB 1.283 13 residues pruned to eliminate duplicates Z: 13 10.081 1.782 0.301 0.392 1.000 0.667 CB 1.406 13 residues pruned to eliminate duplicates Z: 13 11.398 1.746 0.484 0.403 1.000 0.417 CB 1.407 13 residues pruned to eliminate duplicates Z: 34 16.076 1.820 0.593 0.367 0.879 0.545 CB 1.267 34 residues pruned to eliminate duplicates Z: 13 8.339 1.784 0.535 0.345 0.833 0.583 CB 1.249 13 residues pruned to eliminate duplicates Z: 16 10.510 1.677 0.676 0.294 0.867 0.467 CB 1.402 16 residues pruned to eliminate duplicates Z: 17 11.905 1.725 0.602 0.353 0.875 0.312 CA 1.444 17 residues pruned to eliminate duplicates Z: 13 12.325 1.781 0.544 0.421 1.000 0.500 CB 1.405 13 residues pruned to eliminate duplicates Z: 11 4.989 1.907 0.121 0.344 0.800 0.600 CB 1.093 11 residues pruned to eliminate duplicates Z: 14 4.909 1.685 0.249 0.268 0.923 0.462 CB 0.912 14 residues pruned to eliminate duplicates Z: 8 6.731 1.573 0.446 0.470 1.000 0.143 CA 1.153 6 residues pruned to eliminate duplicates Z: 7 4.577 1.588 0.611 0.221 1.000 0.167 CA 1.013 7 residues pruned to eliminate duplicates Z: 6 3.029 1.612 0.244 0.372 0.600 0.200 N 1.290 6 residues pruned to eliminate duplicates Z: 8 8.850 1.815 0.394 0.675 1.000 0.714 CA 1.126 8 residues pruned to eliminate duplicates Z: 10 5.038 1.770 0.255 0.376 0.778 0.333 CA 1.109 10 residues pruned to eliminate duplicates Z: 8 4.701 1.855 0.270 0.466 0.714 0.286 CA 1.093 8 residues pruned to eliminate duplicates Z: 10 4.543 1.753 0.326 0.357 0.667 0.444 CB 1.140 10 residues pruned to eliminate duplicates Z: 7 3.302 1.598 0.683 0.205 0.667 0.167 CA 1.066 8 residues pruned to eliminate duplicates Z: 8 5.624 1.615 0.408 0.467 0.857 0.571 CA 1.128 8 residues pruned to eliminate duplicates Z: 7 3.685 1.527 0.428 0.216 0.833 0.333 O 1.156 7 residues pruned to eliminate duplicates Z: 16 19.478 1.996 0.730 0.565 1.000 0.667 CB 1.367 15 residues pruned to eliminate duplicates Z: 6 5.197 1.631 0.751 0.409 1.000 0.600 CA 0.895 6 residues pruned to eliminate duplicates Z: 15 18.575 2.049 0.647 0.645 1.000 0.786 CB 1.285 15 residues pruned to eliminate duplicates Z: 6 5.555 1.492 0.840 0.319 1.000 0.400 N 1.105 6 residues pruned to eliminate duplicates Z: 7 5.680 1.566 0.539 0.523 1.000 0.667 CB 0.940 7 residues pruned to eliminate duplicates Z: 17 7.739 1.883 0.538 0.173 0.625 0.312 CB 1.588 17 residues pruned to eliminate duplicates Z: 12 9.439 1.889 0.463 0.320 0.818 0.545 N 1.534 12 residues pruned to eliminate duplicates Z: 8 4.737 1.589 0.644 0.245 0.714 0.000 CA 1.288 8 residues pruned to eliminate duplicates Z: 21 8.315 1.918 0.664 0.245 0.600 0.200 CB 1.302 21 residues pruned to eliminate duplicates Z: 9 4.584 1.906 0.386 0.243 0.625 0.250 CB 1.320 9 residues pruned to eliminate duplicates Z: 16 5.922 2.006 0.283 0.239 0.667 0.333 CB 1.206 16 residues pruned to eliminate duplicates Z: 8 6.517 1.971 0.166 0.254 0.857 0.143 N 1.658 8 residues pruned to eliminate duplicates Z: 11 10.401 2.054 0.761 0.405 0.800 0.400 CB 1.257 11 residues pruned to eliminate duplicates Z: 20 7.920 1.989 0.372 0.347 0.684 0.211 CB 1.149 18 residues pruned to eliminate duplicates Z: 9 7.110 1.446 0.714 0.514 0.875 0.375 CA 1.143 9 residues pruned to eliminate duplicates Z: 11 8.083 1.953 0.424 0.349 0.800 0.400 CA 1.353 12 residues pruned to eliminate duplicates Z: 9 10.965 1.825 0.795 0.583 0.875 0.625 CB 1.249 8 residues pruned to eliminate duplicates Z: 8 6.234 1.813 0.860 0.491 0.857 0.571 CB 0.823 8 residues pruned to eliminate duplicates Z: 10 10.649 1.797 0.823 0.589 0.889 0.444 CB 1.120 9 residues pruned to eliminate duplicates Z: 6 2.870 1.467 0.775 0.394 0.800 0.600 CB 0.689 6 residues pruned to eliminate duplicates Z: 31 11.174 1.787 0.456 0.409 0.733 0.467 CA 1.177 31 residues pruned to eliminate duplicates Z: 24 21.716 2.038 0.609 0.726 0.870 0.609 CA 1.295 24 residues pruned to eliminate duplicates Z: 30 18.246 2.013 0.508 0.627 0.862 0.517 CA 1.148 30 residues pruned to eliminate duplicates Z: 30 19.557 1.953 0.622 0.612 0.862 0.414 CB 1.195 30 residues pruned to eliminate duplicates Z: 23 25.789 2.052 0.783 0.766 0.955 0.500 CA 1.243 23 residues pruned to eliminate duplicates Z: 26 19.866 2.011 0.481 0.721 0.840 0.520 CA 1.301 26 residues pruned to eliminate duplicates Z: 31 23.418 2.017 0.540 0.660 0.933 0.400 CA 1.271 31 residues pruned to eliminate duplicates Z: 22 23.682 2.075 0.617 0.787 1.000 0.476 CA 1.197 22 residues pruned to eliminate duplicates Z: 36 31.857 2.094 0.643 0.749 0.971 0.543 CA 1.290 36 residues pruned to eliminate duplicates Z: 33 21.498 1.982 0.707 0.610 0.812 0.406 CA 1.246 33 residues pruned to eliminate duplicates Z: 41 30.492 2.089 0.586 0.697 0.900 0.625 CA 1.350 41 residues pruned to eliminate duplicates Z: 25 25.817 2.043 0.590 0.754 1.000 0.542 CA 1.293 25 residues pruned to eliminate duplicates Z: 34 18.650 1.964 0.581 0.571 0.848 0.273 CA 1.150 34 residues pruned to eliminate duplicates Z: 34 21.122 1.998 0.549 0.569 0.848 0.394 CA 1.309 34 residues pruned to eliminate duplicates Z: 42 30.938 2.058 0.612 0.676 0.902 0.512 CB 1.373 42 residues pruned to eliminate duplicates Z: 31 23.070 2.000 0.591 0.652 0.900 0.533 CA 1.277 31 residues pruned to eliminate duplicates Z: 33 29.182 2.059 0.585 0.735 0.938 0.625 CA 1.365 33 residues pruned to eliminate duplicates Z: 30 25.101 2.037 0.770 0.633 0.931 0.552 CA 1.226 30 residues pruned to eliminate duplicates Z: 55 36.181 2.052 0.695 0.626 0.907 0.407 CA 1.385 60 residues pruned to eliminate duplicates Z: 16 23.389 2.142 1.068 0.875 0.933 0.400 CA 1.062 16 residues pruned to eliminate duplicates Z: 46 29.896 2.037 0.672 0.653 0.889 0.600 CA 1.277 46 residues pruned to eliminate duplicates Z: 32 16.265 1.938 0.451 0.554 0.806 0.548 CA 1.222 32 residues pruned to eliminate duplicates Z: 30 20.636 2.019 0.608 0.515 0.862 0.483 CB 1.350 30 residues pruned to eliminate duplicates Z: 38 29.939 2.093 0.685 0.726 0.811 0.568 CA 1.404 38 residues pruned to eliminate duplicates Z: 54 30.583 1.991 0.654 0.605 0.887 0.604 CA 1.302 54 residues pruned to eliminate duplicates Z: 19 15.044 1.981 0.744 0.578 0.778 0.444 CB 1.224 19 residues pruned to eliminate duplicates Z: 43 24.244 2.027 0.517 0.669 0.857 0.524 CA 1.214 43 residues pruned to eliminate duplicates Z: 24 23.575 2.109 0.561 0.650 0.913 0.522 CB 1.423 24 residues pruned to eliminate duplicates Z: 14 19.815 2.202 0.507 0.746 0.923 0.538 CB 1.440 14 residues pruned to eliminate duplicates Z: 20 13.973 1.979 0.589 0.533 0.737 0.526 CB 1.340 20 residues pruned to eliminate duplicates Z: 42 33.315 2.066 0.813 0.670 0.878 0.488 CA 1.352 42 residues pruned to eliminate duplicates Z: 27 22.792 2.024 0.712 0.594 0.846 0.577 CB 1.393 27 residues pruned to eliminate duplicates Z: 49 29.323 2.003 0.629 0.620 0.875 0.542 CB 1.324 49 residues pruned to eliminate duplicates Z: 13 23.151 2.095 0.861 0.776 1.000 0.333 CA 1.343 13 residues pruned to eliminate duplicates Z: 26 18.638 2.068 0.415 0.603 0.800 0.440 CB 1.443 26 residues pruned to eliminate duplicates Z: 40 31.776 2.100 0.665 0.713 0.821 0.513 CA 1.462 40 residues pruned to eliminate duplicates Z: 36 27.531 2.088 0.568 0.671 0.857 0.629 CA 1.415 36 residues pruned to eliminate duplicates Z: 24 15.165 2.016 0.331 0.521 0.826 0.565 CA 1.397 24 residues pruned to eliminate duplicates Z: 12 10.111 2.067 0.484 0.520 0.727 0.455 CB 1.340 12 residues pruned to eliminate duplicates Z: 13 7.785 1.953 0.605 0.437 0.667 0.667 CB 1.149 13 residues pruned to eliminate duplicates Z: 22 13.224 1.980 0.255 0.464 0.905 0.524 CA 1.331 22 residues pruned to eliminate duplicates Z: 13 9.765 1.844 0.454 0.489 0.833 0.583 CA 1.276 13 residues pruned to eliminate duplicates Z: 17 17.285 2.059 0.357 0.623 1.000 0.812 CB 1.377 17 residues pruned to eliminate duplicates Z: 11 8.927 2.035 0.458 0.583 0.700 0.500 CA 1.255 11 residues pruned to eliminate duplicates Z: 12 11.600 2.034 0.485 0.552 0.818 0.727 CB 1.345 12 residues pruned to eliminate duplicates Z: 23 14.284 1.872 0.370 0.538 0.864 0.500 CB 1.325 23 residues pruned to eliminate duplicates Z: 38 30.559 2.088 0.423 0.599 0.973 0.622 CA 1.581 38 residues pruned to eliminate duplicates Z: 32 33.453 2.156 0.438 0.700 1.000 0.742 CB 1.615 32 residues pruned to eliminate duplicates Z: 21 30.941 2.249 0.507 0.657 0.950 0.700 CA 1.856 21 residues pruned to eliminate duplicates Z: 22 30.335 2.259 0.512 0.665 0.952 0.667 CB 1.747 22 residues pruned to eliminate duplicates Z: 22 29.678 2.310 0.451 0.643 0.952 0.810 CA 1.776 22 residues pruned to eliminate duplicates Z: 31 33.372 2.220 0.475 0.691 0.967 0.700 CA 1.615 36 residues pruned to eliminate duplicates Z: 14 30.783 2.364 0.706 0.768 1.000 0.692 CA 1.669 14 residues pruned to eliminate duplicates Z: 29 34.138 2.271 0.390 0.710 1.000 0.643 CA 1.688 30 residues pruned to eliminate duplicates Z: 21 19.140 1.972 0.224 0.879 1.000 0.500 CB 1.285 21 residues pruned to eliminate duplicates Z: 30 29.103 2.228 0.427 0.648 0.931 0.552 CA 1.591 30 residues pruned to eliminate duplicates Z: 33 33.800 2.163 0.560 0.626 0.969 0.688 CA 1.623 33 residues pruned to eliminate duplicates Z: 33 31.791 2.215 0.443 0.630 0.938 0.625 CA 1.661 33 residues pruned to eliminate duplicates Z: 35 30.265 2.103 0.545 0.602 0.941 0.559 CB 1.541 35 residues pruned to eliminate duplicates Z: 31 35.541 2.203 0.554 0.669 1.000 0.533 CA 1.622 31 residues pruned to eliminate duplicates Z: 35 32.433 2.081 0.552 0.634 0.971 0.618 CA 1.565 35 residues pruned to eliminate duplicates Z: 23 36.071 2.307 0.665 0.721 0.955 0.545 CB 1.717 23 residues pruned to eliminate duplicates Z: 23 29.119 2.128 0.530 0.814 1.000 0.409 CB 1.451 23 residues pruned to eliminate duplicates Z: 30 31.964 2.231 0.493 0.683 0.931 0.483 CA 1.618 30 residues pruned to eliminate duplicates Z: 33 32.327 2.110 0.586 0.680 0.969 0.719 CA 1.494 33 residues pruned to eliminate duplicates Z: 29 36.409 2.254 0.518 0.700 1.000 0.464 CA 1.677 29 residues pruned to eliminate duplicates Z: 19 16.924 2.092 0.541 0.737 0.667 0.222 CB 1.500 19 residues pruned to eliminate duplicates Z: 37 32.978 2.109 0.587 0.603 0.944 0.528 CA 1.577 37 residues pruned to eliminate duplicates Z: 32 35.433 2.149 0.648 0.672 0.935 0.452 CA 1.639 32 residues pruned to eliminate duplicates Z: 32 36.266 2.140 0.615 0.663 1.000 0.548 CA 1.620 32 residues pruned to eliminate duplicates Z: 33 32.875 2.172 0.535 0.636 0.906 0.469 CA 1.693 33 residues pruned to eliminate duplicates Z: 17 16.111 1.962 0.749 0.631 0.812 0.375 CA 1.277 17 residues pruned to eliminate duplicates Z: 32 32.193 2.196 0.698 0.630 0.839 0.516 CA 1.637 32 residues pruned to eliminate duplicates Z: 31 38.217 2.183 0.696 0.654 1.000 0.500 CA 1.634 31 residues pruned to eliminate duplicates Z: 12 13.700 1.990 0.449 0.528 0.909 0.818 CB 1.532 12 residues pruned to eliminate duplicates Z: 12 15.097 1.961 0.466 0.502 1.000 0.909 N 1.581 12 residues pruned to eliminate duplicates Z: 22 12.712 1.961 0.382 0.303 0.810 0.619 CB 1.575 23 residues pruned to eliminate duplicates Z: 6 3.545 1.513 0.026 0.492 1.000 0.400 CB 1.029 6 residues pruned to eliminate duplicates Z: 22 12.825 1.962 0.389 0.332 0.810 0.524 CB 1.525 22 residues pruned to eliminate duplicates Z: 18 16.293 2.044 0.369 0.371 0.941 0.471 N 1.722 18 residues pruned to eliminate duplicates Z: 7 5.442 1.510 0.272 0.509 1.000 0.500 C 1.146 7 residues pruned to eliminate duplicates Z: 9 5.052 1.824 0.238 0.239 0.750 0.250 CA 1.427 9 residues pruned to eliminate duplicates Z: 9 4.556 1.867 0.355 0.144 0.750 0.125 CA 1.319 9 residues pruned to eliminate duplicates Z: 23 9.998 1.838 0.409 0.320 0.682 0.500 CB 1.473 23 residues pruned to eliminate duplicates Z: 21 13.748 1.980 0.329 0.325 0.900 0.450 CB 1.574 21 residues pruned to eliminate duplicates Z: 9 5.061 1.593 0.342 0.329 0.875 0.500 N 1.154 9 residues pruned to eliminate duplicates Z: 6 4.904 1.773 0.504 0.409 0.800 0.600 CA 1.131 6 residues pruned to eliminate duplicates Z: 8 9.505 2.120 0.075 0.540 0.857 0.571 N 1.769 7 residues pruned to eliminate duplicates Z: 10 5.146 1.567 0.095 0.488 0.778 0.222 CA 1.301 Z: 6 4.267 1.629 0.240 0.560 0.800 0.200 CB 1.114 6 residues pruned to eliminate duplicates Z: 20 9.528 1.640 0.522 0.447 0.737 0.368 CB 1.255 20 residues pruned to eliminate duplicates Z: 10 5.939 1.770 0.253 0.398 1.000 0.444 CB 0.995 6 residues pruned to eliminate duplicates Z: 6 4.409 1.846 0.252 0.382 1.000 0.600 CB 0.967 6 residues pruned to eliminate duplicates Z: 8 6.756 1.799 0.569 0.228 0.857 0.429 N 1.450 9 residues pruned to eliminate duplicates Z: 7 7.710 1.736 0.528 0.372 1.000 0.333 CB 1.360 7 residues pruned to eliminate duplicates Z: 9 4.503 1.931 0.272 0.235 0.875 0.500 CB 1.009 9 residues pruned to eliminate duplicates Z: 12 7.587 1.908 0.290 0.353 0.909 0.273 CB 1.198 9 residues pruned to eliminate duplicates Z: 9 6.427 1.888 0.126 0.409 0.875 0.500 CB 1.344 10 residues pruned to eliminate duplicates Z: 9 5.398 1.865 0.177 0.386 0.750 0.500 CB 1.310 9 residues pruned to eliminate duplicates Z: 12 7.773 1.906 0.379 0.433 0.636 0.455 CA 1.503 12 residues pruned to eliminate duplicates Z: 34 15.185 1.917 0.365 0.297 0.818 0.636 CB 1.550 45 residues pruned to eliminate duplicates 527 residues left after pruning, divided into chains as follows: A: 11 B: 6 C: 6 D: 8 E: 10 F: 15 G: 115 H: 62 I: 8 J: 13 K: 13 L: 19 M: 10 N: 16 O: 29 P: 55 Q: 29 R: 21 S: 8 T: 19 U: 8 V: 46 CC for partial structure against native data = 18.86 % ------------------------------------------------------------------------------ Global autotracing cycle 8 = 0.300, Contrast = 0.412, Connect. = 0.679 for dens.mod. cycle 1 = 0.300, Contrast = 0.477, Connect. = 0.702 for dens.mod. cycle 2 = 0.300, Contrast = 0.551, Connect. = 0.738 for dens.mod. cycle 3 = 0.300, Contrast = 0.559, Connect. = 0.743 for dens.mod. cycle 4 = 0.300, Contrast = 0.567, Connect. = 0.748 for dens.mod. cycle 5 = 0.300, Contrast = 0.572, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.576, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.578, Connect. = 0.757 for dens.mod. cycle 8 = 0.300, Contrast = 0.580, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.581, Connect. = 0.760 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6788 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1192 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 19.319 2.010 0.643 0.554 1.000 0.533 CB 1.432 B: 18 23.027 2.150 0.496 0.918 1.000 0.941 CB 1.225 C: 21 36.981 2.279 0.669 0.900 0.950 0.600 CB 1.635 D: 11 23.702 2.120 0.775 0.860 1.000 0.700 CB 1.465 11 residues pruned to eliminate duplicates E: 17 30.583 2.260 0.635 0.909 0.938 0.750 CB 1.566 17 residues pruned to eliminate duplicates F: 20 35.014 2.332 0.462 0.918 1.000 0.789 CA 1.662 20 residues pruned to eliminate duplicates G: 19 30.313 2.170 0.469 0.915 1.000 0.778 CB 1.584 H: 22 27.392 2.224 0.315 0.877 1.000 0.667 CA 1.485 18 residues pruned to eliminate duplicates I: 28 15.907 2.045 0.383 0.428 0.815 0.630 CB 1.430 J: 48 27.274 2.108 0.371 0.530 0.872 0.638 CB 1.532 23 residues pruned to eliminate duplicates K: 16 18.038 2.028 0.562 0.588 1.000 0.800 CB 1.352 17 residues pruned to eliminate duplicates L: 21 35.305 2.117 0.574 0.896 1.000 0.700 CB 1.697 19 residues pruned to eliminate duplicates M: 15 13.153 1.872 0.367 0.482 0.929 0.714 CB 1.506 N: 20 34.452 2.262 0.485 0.901 1.000 0.947 CA 1.680 20 residues pruned to eliminate duplicates O: 17 17.467 2.132 0.304 0.626 1.000 0.688 CB 1.395 P: 11 14.396 2.237 0.345 0.433 1.000 0.600 CA 1.622 Q: 22 32.162 2.109 0.539 0.881 1.000 0.857 CA 1.566 21 residues pruned to eliminate duplicates R: 18 22.891 2.087 0.662 0.849 0.882 0.529 CB 1.345 17 residues pruned to eliminate duplicates S: 22 26.943 2.034 0.415 0.871 0.952 0.714 CA 1.565 22 residues pruned to eliminate duplicates T: 21 35.975 2.251 0.834 0.875 1.000 0.750 CB 1.417 21 residues pruned to eliminate duplicates U: 13 17.191 2.056 0.388 0.872 1.000 0.833 CB 1.267 13 residues pruned to eliminate duplicates V: 20 33.732 2.274 0.473 0.902 1.000 0.737 CB 1.648 20 residues pruned to eliminate duplicates W: 12 8.354 2.001 0.462 0.424 0.818 0.273 CB 1.138 12 residues pruned to eliminate duplicates X: 14 9.837 2.056 0.505 0.272 0.846 0.308 CB 1.351 14 residues pruned to eliminate duplicates Y: 18 31.581 2.300 0.678 0.874 0.882 0.706 CB 1.637 18 residues pruned to eliminate duplicates Z: 22 28.776 2.245 0.393 0.832 1.000 0.619 CA 1.507 22 residues pruned to eliminate duplicates Z: 22 37.135 2.205 0.738 0.900 1.000 0.619 CB 1.510 22 residues pruned to eliminate duplicates Z: 17 23.250 2.134 0.867 0.913 0.938 0.750 CA 1.102 Z: 17 34.533 2.213 0.610 0.900 1.000 0.875 CB 1.732 18 residues pruned to eliminate duplicates Z: 9 6.301 1.618 1.182 0.439 0.875 0.625 CB 0.768 Z: 13 20.005 2.098 0.386 0.810 1.000 0.583 CB 1.516 Z: 19 27.234 2.144 0.730 0.931 0.944 0.556 CA 1.280 17 residues pruned to eliminate duplicates Z: 13 10.694 1.973 0.214 0.411 0.917 0.583 CA 1.543 Z: 22 38.606 2.234 0.727 0.929 1.000 0.667 CB 1.528 23 residues pruned to eliminate duplicates Z: 17 20.044 2.206 0.362 0.879 0.812 0.688 CB 1.488 17 residues pruned to eliminate duplicates Z: 9 7.031 1.840 0.270 0.350 0.875 0.750 CA 1.429 8 residues pruned to eliminate duplicates Z: 20 46.631 2.323 0.918 0.929 1.000 0.684 CB 1.680 21 residues pruned to eliminate duplicates Z: 21 35.745 2.098 0.762 0.883 1.000 0.700 CB 1.563 21 residues pruned to eliminate duplicates Z: 21 36.412 2.211 0.727 0.886 0.950 0.550 CA 1.619 21 residues pruned to eliminate duplicates Z: 11 7.197 1.641 0.725 0.458 0.700 0.500 CB 1.200 Z: 11 10.827 2.025 0.148 0.664 0.900 0.800 CA 1.406 Z: 21 38.735 2.281 0.623 0.899 1.000 0.650 CA 1.673 21 residues pruned to eliminate duplicates Z: 21 23.620 2.054 0.317 0.930 1.000 0.650 CA 1.366 21 residues pruned to eliminate duplicates Z: 59 35.884 2.100 0.570 0.552 0.914 0.586 CA 1.486 25 residues pruned to eliminate duplicates Z: 50 38.742 2.152 0.713 0.558 0.918 0.612 CA 1.546 50 residues pruned to eliminate duplicates Z: 13 8.549 1.962 0.273 0.416 0.917 0.500 CA 1.176 13 residues pruned to eliminate duplicates Z: 11 9.474 1.962 0.072 0.536 1.000 0.700 CB 1.374 Z: 17 15.539 1.894 0.566 0.521 1.000 0.562 CB 1.283 17 residues pruned to eliminate duplicates Z: 23 28.848 2.022 0.497 0.899 0.955 0.773 CA 1.522 22 residues pruned to eliminate duplicates Z: 14 11.293 1.967 0.302 0.444 0.846 0.538 CA 1.532 Z: 21 24.786 2.109 0.682 0.801 0.900 0.600 CB 1.334 21 residues pruned to eliminate duplicates Z: 17 27.743 2.216 0.598 0.893 1.000 0.625 CB 1.406 17 residues pruned to eliminate duplicates Z: 22 36.324 2.145 0.603 0.935 1.000 0.762 CB 1.606 23 residues pruned to eliminate duplicates Z: 6 5.184 1.787 -0.169 0.524 1.000 0.600 N 1.524 Z: 26 20.976 2.200 0.673 0.352 0.880 0.440 CA 1.520 24 residues pruned to eliminate duplicates Z: 6 2.622 1.738 0.426 0.291 0.800 0.800 CB 0.747 Z: 13 18.209 2.097 0.358 0.855 1.000 0.833 CA 1.363 12 residues pruned to eliminate duplicates Z: 10 9.936 1.802 0.453 0.581 1.000 0.667 CA 1.171 9 residues pruned to eliminate duplicates Z: 22 36.181 2.061 0.690 0.913 1.000 0.762 CA 1.604 22 residues pruned to eliminate duplicates Z: 20 12.374 1.919 0.328 0.359 0.842 0.474 CB 1.540 15 residues pruned to eliminate duplicates Z: 13 19.248 1.883 0.860 0.884 1.000 0.500 CB 1.146 12 residues pruned to eliminate duplicates Z: 14 17.772 2.201 0.474 0.553 0.846 0.462 CA 1.705 14 residues pruned to eliminate duplicates Z: 7 4.364 1.904 0.231 0.354 0.833 0.500 CB 1.068 Z: 21 32.483 2.148 0.501 0.919 1.000 0.750 CB 1.588 21 residues pruned to eliminate duplicates Z: 21 41.024 2.284 0.683 0.920 1.000 0.750 CA 1.680 21 residues pruned to eliminate duplicates Z: 22 31.032 2.252 0.342 0.877 1.000 0.810 CA 1.628 22 residues pruned to eliminate duplicates Z: 24 32.896 2.019 0.635 0.863 0.957 0.783 CB 1.594 24 residues pruned to eliminate duplicates Z: 18 18.738 2.170 0.488 0.864 0.765 0.529 CB 1.350 18 residues pruned to eliminate duplicates Z: 21 23.678 2.235 0.054 0.896 0.950 0.850 CB 1.694 21 residues pruned to eliminate duplicates Z: 16 11.768 1.758 0.775 0.387 0.867 0.400 CB 1.267 Z: 9 13.600 2.142 0.288 0.632 0.875 0.625 CB 1.759 9 residues pruned to eliminate duplicates Z: 23 14.682 1.982 0.267 0.591 0.909 0.545 CA 1.256 23 residues pruned to eliminate duplicates Z: 19 11.819 1.812 0.689 0.399 0.778 0.556 CB 1.301 16 residues pruned to eliminate duplicates Z: 16 14.833 1.864 0.883 0.429 0.867 0.467 CB 1.354 16 residues pruned to eliminate duplicates Z: 9 11.243 2.035 0.594 0.492 0.875 0.750 N 1.412 Z: 17 14.175 1.985 0.461 0.409 0.875 0.562 CB 1.536 14 residues pruned to eliminate duplicates Z: 49 40.369 2.101 0.682 0.592 0.979 0.604 CB 1.542 60 residues pruned to eliminate duplicates Z: 11 13.768 2.009 0.464 0.427 1.000 0.600 CB 1.596 Z: 43 29.190 2.195 0.650 0.359 0.929 0.548 CA 1.559 43 residues pruned to eliminate duplicates Z: 19 28.126 2.125 0.448 0.905 0.944 0.889 CA 1.624 19 residues pruned to eliminate duplicates Z: 22 33.865 2.198 0.469 0.866 1.000 0.619 CB 1.675 22 residues pruned to eliminate duplicates Z: 26 24.307 2.178 0.739 0.422 0.960 0.560 CB 1.450 25 residues pruned to eliminate duplicates Z: 10 14.657 1.800 0.317 0.901 1.000 0.889 CA 1.471 Z: 6 9.547 1.834 0.948 0.749 1.000 1.000 CB 0.957 7 residues pruned to eliminate duplicates Z: 11 11.956 1.931 0.411 0.494 0.900 0.600 N 1.550 9 residues pruned to eliminate duplicates Z: 21 26.230 2.051 0.424 0.906 1.000 0.850 CB 1.429 21 residues pruned to eliminate duplicates Z: 41 25.824 2.094 0.652 0.331 0.925 0.450 CB 1.535 39 residues pruned to eliminate duplicates Z: 7 4.266 1.922 0.391 0.514 0.667 0.500 CB 0.963 Z: 55 40.293 2.221 0.601 0.615 0.944 0.463 CB 1.465 58 residues pruned to eliminate duplicates Z: 12 7.898 1.842 0.284 0.480 0.818 0.636 N 1.255 12 residues pruned to eliminate duplicates Z: 7 13.804 2.251 0.429 0.490 1.000 0.333 CA 1.770 7 residues pruned to eliminate duplicates Z: 16 10.300 1.984 0.231 0.408 0.800 0.467 CB 1.498 16 residues pruned to eliminate duplicates 6 1.995 1.860 -0.487 0.663 1.000 0.600 CB 0.805 ? Z: 17 17.397 1.916 0.668 0.511 1.000 0.625 CB 1.346 16 residues pruned to eliminate duplicates Z: 7 4.748 1.764 0.268 0.718 0.833 0.500 CB 0.854 7 residues pruned to eliminate duplicates Z: 11 14.074 1.787 0.479 0.860 1.000 0.900 CA 1.239 Z: 15 22.540 2.137 0.721 0.922 0.929 0.929 CA 1.240 15 residues pruned to eliminate duplicates Z: 13 19.886 2.225 0.318 0.864 1.000 0.833 CB 1.435 13 residues pruned to eliminate duplicates Z: 11 10.695 2.158 -0.253 0.859 1.000 0.900 CB 1.544 11 residues pruned to eliminate duplicates Z: 22 36.136 2.142 0.752 0.924 0.905 0.714 CB 1.632 22 residues pruned to eliminate duplicates Z: 9 4.515 1.699 0.273 0.544 0.750 0.375 CB 0.942 Z: 12 16.958 1.747 0.600 0.814 1.000 0.636 CA 1.391 11 residues pruned to eliminate duplicates Z: 19 24.807 2.143 0.261 0.904 1.000 0.944 CB 1.541 19 residues pruned to eliminate duplicates Z: 57 31.191 2.149 0.686 0.335 0.857 0.500 CA 1.607 50 residues pruned to eliminate duplicates Z: 13 21.810 2.138 0.696 0.715 0.917 0.667 CB 1.559 17 residues pruned to eliminate duplicates Z: 11 12.859 2.029 0.182 0.726 1.000 0.900 CA 1.383 11 residues pruned to eliminate duplicates Z: 10 16.127 1.830 0.610 0.839 1.000 0.778 CA 1.363 10 residues pruned to eliminate duplicates Z: 16 8.591 1.785 0.373 0.296 0.800 0.533 CA 1.422 16 residues pruned to eliminate duplicates Z: 12 17.591 2.014 0.509 0.882 1.000 0.636 CA 1.262 12 residues pruned to eliminate duplicates Z: 19 31.228 2.214 0.795 0.921 1.000 0.611 CB 1.303 Z: 23 10.208 1.992 0.228 0.336 0.682 0.409 N 1.561 13 residues pruned to eliminate duplicates Z: 23 30.957 2.201 0.567 0.866 0.955 0.636 CB 1.468 22 residues pruned to eliminate duplicates Z: 22 28.541 2.040 0.719 0.878 0.952 0.524 CB 1.353 22 residues pruned to eliminate duplicates Z: 8 9.741 2.052 0.558 0.440 1.000 0.286 CA 1.225 8 residues pruned to eliminate duplicates Z: 12 8.028 1.733 0.158 0.462 0.909 0.455 CA 1.378 12 residues pruned to eliminate duplicates Z: 22 42.280 2.152 0.800 0.942 1.000 0.619 CB 1.652 22 residues pruned to eliminate duplicates Z: 10 15.775 1.932 0.456 0.807 1.000 0.556 CA 1.431 10 residues pruned to eliminate duplicates Z: 26 14.517 1.965 0.428 0.350 0.920 0.400 CB 1.324 26 residues pruned to eliminate duplicates Z: 17 11.409 1.991 0.184 0.369 0.875 0.500 CB 1.590 17 residues pruned to eliminate duplicates Z: 12 7.730 1.759 0.378 0.451 0.818 0.545 CB 1.236 12 residues pruned to eliminate duplicates Z: 11 4.399 1.785 0.681 0.180 0.600 0.300 CB 1.135 11 residues pruned to eliminate duplicates Z: 9 8.412 1.883 0.710 0.414 0.750 0.625 CB 1.348 9 residues pruned to eliminate duplicates Z: 34 19.900 1.957 0.546 0.641 0.939 0.606 CA 1.069 22 residues pruned to eliminate duplicates Z: 8 3.191 1.401 0.251 0.401 0.714 0.714 CB 1.070 Z: 7 8.675 2.069 -0.019 0.617 1.000 0.667 N 1.562 Z: 9 9.972 1.918 0.830 0.419 0.750 0.625 CA 1.457 9 residues pruned to eliminate duplicates Z: 15 17.183 2.127 0.760 0.541 0.786 0.500 CB 1.500 15 residues pruned to eliminate duplicates Z: 8 14.239 2.247 0.227 0.894 1.000 0.857 CB 1.401 8 residues pruned to eliminate duplicates Z: 11 8.717 1.777 0.486 0.563 0.800 0.600 CA 1.227 Z: 6 2.386 1.492 0.219 0.484 0.600 0.600 CB 0.994 Z: 21 37.038 2.155 0.717 0.910 1.000 0.650 CA 1.587 21 residues pruned to eliminate duplicates Z: 50 44.796 2.180 0.829 0.538 0.980 0.653 CA 1.579 53 residues pruned to eliminate duplicates Z: 17 6.913 1.628 0.291 0.375 0.875 0.500 CA 1.074 17 residues pruned to eliminate duplicates Z: 11 15.576 1.793 0.703 0.814 1.000 0.700 CA 1.228 11 residues pruned to eliminate duplicates Z: 13 17.166 1.887 0.620 0.874 1.000 0.583 CB 1.180 13 residues pruned to eliminate duplicates Z: 27 22.459 2.200 0.664 0.399 0.923 0.615 CB 1.450 27 residues pruned to eliminate duplicates Z: 19 32.006 2.114 0.717 0.916 0.889 0.444 CB 1.651 19 residues pruned to eliminate duplicates Z: 6 4.302 1.767 0.455 0.426 0.800 0.600 N 1.010 Z: 12 13.337 1.982 0.507 0.690 0.909 0.545 CA 1.244 12 residues pruned to eliminate duplicates Z: 23 19.896 2.181 0.696 0.345 0.864 0.500 CB 1.572 26 residues pruned to eliminate duplicates Z: 23 30.379 2.142 0.471 0.865 1.000 0.682 CB 1.506 20 residues pruned to eliminate duplicates Z: 9 9.056 1.873 0.383 0.516 1.000 0.625 CB 1.216 7 residues pruned to eliminate duplicates Z: 8 5.051 1.541 0.740 0.535 0.714 0.429 CB 0.963 Z: 24 27.115 1.905 0.486 0.884 0.957 0.826 CA 1.508 24 residues pruned to eliminate duplicates Z: 22 27.422 2.157 0.353 0.899 0.952 0.476 CB 1.539 21 residues pruned to eliminate duplicates Z: 55 28.034 2.171 0.492 0.334 0.907 0.481 CA 1.558 55 residues pruned to eliminate duplicates Z: 18 28.043 2.154 0.803 0.907 1.000 0.706 CA 1.245 18 residues pruned to eliminate duplicates Z: 9 12.220 2.177 0.299 0.700 0.875 0.750 CB 1.455 11 residues pruned to eliminate duplicates Z: 13 14.959 2.071 0.577 0.494 0.917 0.583 CB 1.451 13 residues pruned to eliminate duplicates Z: 7 11.332 2.079 0.634 0.558 0.833 0.833 CB 1.544 7 residues pruned to eliminate duplicates Z: 21 22.612 2.063 0.440 0.907 1.000 0.850 CB 1.210 21 residues pruned to eliminate duplicates Z: 11 10.124 1.762 0.623 0.570 0.900 0.700 CB 1.163 11 residues pruned to eliminate duplicates Z: 9 6.770 1.821 0.159 0.393 0.875 0.375 N 1.451 9 residues pruned to eliminate duplicates Z: 7 9.997 1.817 0.901 0.625 0.833 0.667 CB 1.260 9 residues pruned to eliminate duplicates Z: 10 14.099 1.900 0.674 0.859 0.889 0.667 CA 1.223 10 residues pruned to eliminate duplicates Z: 9 8.154 1.716 0.617 0.444 0.875 0.375 CA 1.257 Z: 24 12.155 2.043 0.266 0.369 0.739 0.391 CB 1.525 24 residues pruned to eliminate duplicates Z: 12 10.691 1.985 0.163 0.508 0.909 0.455 N 1.523 12 residues pruned to eliminate duplicates Z: 12 10.367 1.958 0.112 0.431 0.909 0.636 CA 1.697 12 residues pruned to eliminate duplicates Z: 6 2.570 1.635 -0.007 0.462 0.600 0.600 CB 1.227 Z: 30 22.284 2.065 0.539 0.654 1.000 0.621 CA 1.128 30 residues pruned to eliminate duplicates Z: 21 34.017 2.121 0.573 0.907 1.000 0.900 CB 1.621 21 residues pruned to eliminate duplicates Z: 13 10.553 1.967 0.097 0.607 0.917 0.750 CA 1.391 13 residues pruned to eliminate duplicates Z: 12 20.654 2.112 0.610 0.891 0.909 0.818 CB 1.448 12 residues pruned to eliminate duplicates Z: 91 47.866 2.199 0.481 0.517 0.933 0.622 CB 1.631 86 residues pruned to eliminate duplicates Z: 15 8.162 1.755 0.579 0.362 0.857 0.500 CB 1.065 14 residues pruned to eliminate duplicates Z: 23 33.773 2.177 0.556 0.875 1.000 0.773 CB 1.546 23 residues pruned to eliminate duplicates Z: 17 26.330 2.148 0.992 0.919 0.938 0.812 CA 1.157 17 residues pruned to eliminate duplicates Z: 12 5.106 1.527 0.242 0.381 0.818 0.364 CB 1.126 9 residues pruned to eliminate duplicates Z: 23 26.448 2.061 0.270 0.909 1.000 0.773 CB 1.529 23 residues pruned to eliminate duplicates Z: 11 19.017 2.103 0.886 0.873 0.900 0.700 CA 1.227 11 residues pruned to eliminate duplicates Z: 34 15.924 1.979 0.463 0.359 0.788 0.485 CB 1.415 34 residues pruned to eliminate duplicates Z: 9 12.397 1.836 0.675 0.564 1.000 0.500 CB 1.339 9 residues pruned to eliminate duplicates Z: 9 12.493 2.052 0.060 0.757 1.000 0.750 CA 1.615 9 residues pruned to eliminate duplicates Z: 12 7.561 1.816 0.527 0.450 0.727 0.545 CB 1.190 12 residues pruned to eliminate duplicates Z: 26 20.623 2.063 0.722 0.347 0.880 0.600 CA 1.559 24 residues pruned to eliminate duplicates Z: 8 7.680 1.828 0.530 0.550 0.857 0.571 CA 1.154 Z: 10 15.846 1.911 0.681 0.847 0.889 0.889 CA 1.374 10 residues pruned to eliminate duplicates Z: 9 3.216 1.577 0.319 0.521 0.875 0.750 CB 0.612 9 residues pruned to eliminate duplicates Z: 53 44.769 2.260 0.499 0.624 0.981 0.538 CB 1.662 53 residues pruned to eliminate duplicates Z: 18 19.472 2.111 0.387 0.899 0.941 0.765 CB 1.225 18 residues pruned to eliminate duplicates Z: 22 26.148 2.202 0.526 0.635 0.952 0.857 CB 1.572 13 residues pruned to eliminate duplicates Z: 18 16.219 2.098 0.343 0.846 0.941 0.588 CA 1.102 18 residues pruned to eliminate duplicates Z: 6 2.318 1.626 0.240 0.695 0.800 0.600 CB 0.538 Z: 7 5.519 1.761 0.903 0.580 0.833 0.500 CB 0.747 5 residues pruned to eliminate duplicates Z: 10 3.972 1.461 0.116 0.503 0.778 0.556 CB 1.041 Z: 6 6.292 1.958 0.139 0.404 1.000 0.400 CA 1.396 6 residues pruned to eliminate duplicates Z: 8 5.971 1.858 0.374 0.559 1.000 0.714 CA 0.835 8 residues pruned to eliminate duplicates Z: 24 14.932 2.152 0.207 0.337 0.826 0.522 CA 1.733 24 residues pruned to eliminate duplicates Z: 16 13.795 2.064 0.422 0.459 0.867 0.733 CB 1.460 16 residues pruned to eliminate duplicates Z: 23 6.527 1.670 0.557 0.210 0.636 0.273 CB 1.184 Z: 15 8.051 2.069 0.107 0.412 0.714 0.643 CB 1.443 15 residues pruned to eliminate duplicates Z: 11 8.033 1.965 0.341 0.298 0.800 0.600 CA 1.511 11 residues pruned to eliminate duplicates Z: 7 8.900 1.672 0.569 0.690 0.833 0.833 C 1.397 Z: 20 41.019 2.282 0.893 0.915 1.000 0.368 CB 1.539 20 residues pruned to eliminate duplicates Z: 11 7.011 1.744 0.462 0.395 0.800 0.600 CA 1.214 11 residues pruned to eliminate duplicates 6 0.993 1.327 -0.069 0.436 0.800 0.600 CB 0.480 ? Z: 63 25.314 2.101 0.455 0.296 0.855 0.452 CB 1.546 63 residues pruned to eliminate duplicates Z: 12 12.788 1.962 0.339 0.589 0.909 0.727 CA 1.484 11 residues pruned to eliminate duplicates Z: 6 2.714 1.857 0.222 0.295 0.600 0.400 CB 1.121 4 residues pruned to eliminate duplicates Z: 10 10.202 1.884 0.261 0.844 0.889 0.667 CA 1.198 10 residues pruned to eliminate duplicates Z: 24 23.632 2.278 0.588 0.368 0.957 0.522 CB 1.639 24 residues pruned to eliminate duplicates Z: 6 3.414 1.585 0.118 0.424 0.800 0.600 CB 1.166 6 residues pruned to eliminate duplicates Z: 6 3.381 1.579 0.328 0.410 0.800 0.400 N 0.990 Z: 7 4.657 1.782 0.029 0.426 0.833 0.667 CA 1.344 7 residues pruned to eliminate duplicates Z: 49 23.526 2.063 0.618 0.309 0.833 0.479 CA 1.508 49 residues pruned to eliminate duplicates Z: 22 12.838 1.926 0.364 0.351 0.810 0.619 CA 1.549 20 residues pruned to eliminate duplicates Z: 11 6.888 1.698 0.339 0.644 0.900 0.700 CB 0.931 Z: 10 11.716 1.970 0.598 0.605 0.889 0.667 CA 1.263 10 residues pruned to eliminate duplicates Z: 17 22.572 2.098 0.798 0.887 0.875 0.500 CA 1.232 17 residues pruned to eliminate duplicates Z: 18 11.264 1.728 0.331 0.427 0.941 0.647 CA 1.360 17 residues pruned to eliminate duplicates Z: 12 15.798 2.170 0.600 0.568 0.909 0.636 CB 1.414 12 residues pruned to eliminate duplicates Z: 11 14.288 2.185 0.188 0.882 1.000 0.700 CB 1.259 11 residues pruned to eliminate duplicates Z: 12 15.583 2.106 0.126 0.911 1.000 0.636 CB 1.404 12 residues pruned to eliminate duplicates Z: 8 4.038 1.821 -0.444 0.592 1.000 0.429 CB 1.381 Z: 7 4.483 1.438 0.232 0.400 1.000 0.500 N 1.148 7 residues pruned to eliminate duplicates 7 1.751 1.423 0.243 0.249 1.000 0.667 CB 0.539 ? Z: 18 12.056 2.128 0.614 0.236 0.765 0.588 CB 1.514 18 residues pruned to eliminate duplicates Z: 22 28.621 2.104 0.424 0.877 1.000 0.810 CB 1.514 22 residues pruned to eliminate duplicates Z: 9 12.030 1.918 0.735 0.701 0.875 0.750 CB 1.217 10 residues pruned to eliminate duplicates Z: 6 6.242 1.807 -0.136 0.770 1.000 0.600 CA 1.407 6 residues pruned to eliminate duplicates Z: 31 24.567 2.169 0.254 0.661 0.933 0.667 CA 1.521 31 residues pruned to eliminate duplicates Z: 21 35.585 2.127 0.798 0.876 1.000 0.600 CB 1.512 21 residues pruned to eliminate duplicates Z: 14 7.953 1.757 0.528 0.473 0.769 0.538 CB 1.098 Z: 20 21.020 2.156 0.410 0.863 0.895 0.789 CB 1.301 20 residues pruned to eliminate duplicates Z: 18 12.781 1.759 0.670 0.394 0.882 0.412 CA 1.337 17 residues pruned to eliminate duplicates Z: 6 5.302 1.763 0.478 0.511 0.800 0.600 CB 1.125 Z: 7 7.783 1.751 1.022 0.694 0.833 0.833 CB 0.902 7 residues pruned to eliminate duplicates Z: 10 10.778 2.048 0.237 0.678 1.000 0.667 CA 1.204 10 residues pruned to eliminate duplicates Z: 29 21.780 2.101 0.517 0.433 0.929 0.571 CB 1.491 29 residues pruned to eliminate duplicates Z: 10 8.055 1.816 0.650 0.405 0.778 0.667 CA 1.273 10 residues pruned to eliminate duplicates Z: 36 15.205 1.919 0.500 0.382 0.771 0.486 CB 1.311 36 residues pruned to eliminate duplicates Z: 14 10.361 1.948 0.306 0.546 0.769 0.615 CB 1.404 14 residues pruned to eliminate duplicates Z: 7 3.319 1.484 0.486 0.374 1.000 0.333 CB 0.703 Z: 20 19.547 2.204 0.636 0.347 0.947 0.579 CB 1.550 20 residues pruned to eliminate duplicates Z: 7 3.898 1.753 -0.032 0.550 0.833 0.500 CB 1.073 7 residues pruned to eliminate duplicates 9 1.542 1.255 0.704 0.200 0.875 0.500 N 0.417 ? Z: 7 5.400 1.931 0.437 0.321 0.833 0.500 CB 1.160 7 residues pruned to eliminate duplicates Z: 10 8.441 1.690 0.713 0.565 0.889 0.778 CB 1.027 10 residues pruned to eliminate duplicates Z: 6 6.076 1.521 0.533 0.666 0.800 0.600 N 1.249 Z: 21 33.831 2.115 0.722 0.867 0.950 0.300 CB 1.599 21 residues pruned to eliminate duplicates Z: 10 6.870 1.724 0.649 0.498 0.667 0.556 CB 1.210 10 residues pruned to eliminate duplicates Z: 6 3.991 1.746 0.062 0.721 1.000 0.600 N 0.788 Z: 6 4.590 1.712 0.528 0.582 1.000 0.800 CA 0.725 Z: 21 11.205 1.866 0.361 0.322 0.800 0.450 N 1.501 20 residues pruned to eliminate duplicates Z: 6 2.270 1.297 0.204 0.461 0.600 0.600 CA 1.127 6 residues pruned to eliminate duplicates Z: 10 16.646 1.784 0.631 0.893 1.000 0.778 CA 1.368 11 residues pruned to eliminate duplicates Z: 15 12.011 2.073 0.241 0.486 0.929 0.571 CB 1.363 15 residues pruned to eliminate duplicates Z: 28 19.664 2.111 0.461 0.400 0.963 0.444 CB 1.415 28 residues pruned to eliminate duplicates Z: 11 14.416 2.041 0.259 0.767 1.000 0.700 CA 1.399 12 residues pruned to eliminate duplicates Z: 8 5.325 1.802 0.619 0.321 0.714 0.571 CB 1.176 9 residues pruned to eliminate duplicates Z: 7 15.520 2.157 0.371 0.882 1.000 0.833 CB 1.551 7 residues pruned to eliminate duplicates Z: 10 19.760 1.950 0.659 0.847 1.000 0.889 CA 1.512 10 residues pruned to eliminate duplicates Z: 22 15.669 2.085 0.455 0.367 0.905 0.429 CA 1.438 22 residues pruned to eliminate duplicates Z: 6 2.130 1.218 0.469 0.614 0.800 0.600 O 0.597 Z: 12 11.437 1.998 0.185 0.680 0.909 0.636 CA 1.357 11 residues pruned to eliminate duplicates Z: 7 2.862 1.303 0.370 0.492 0.833 0.500 CA 0.792 6 residues pruned to eliminate duplicates Z: 9 13.235 1.944 0.291 0.855 1.000 0.625 CB 1.376 9 residues pruned to eliminate duplicates Z: 8 5.998 1.699 -0.028 0.728 0.857 0.857 C 1.304 9 residues pruned to eliminate duplicates Z: 9 18.061 1.999 0.669 0.870 1.000 0.875 CA 1.396 9 residues pruned to eliminate duplicates Z: 7 7.702 1.847 0.063 0.765 1.000 0.500 CB 1.267 7 residues pruned to eliminate duplicates Z: 25 24.888 2.202 0.839 0.384 0.875 0.583 CB 1.623 25 residues pruned to eliminate duplicates Z: 15 18.017 2.018 0.670 0.631 0.929 0.786 CB 1.360 16 residues pruned to eliminate duplicates Z: 6 5.425 1.890 -0.089 0.669 0.800 0.800 CA 1.506 6 residues pruned to eliminate duplicates Z: 23 26.452 1.924 0.572 0.879 0.955 0.909 CA 1.416 23 residues pruned to eliminate duplicates Z: 13 6.603 1.715 0.286 0.456 1.000 0.667 CA 0.904 Z: 21 27.280 1.924 0.749 0.880 1.000 0.750 CA 1.314 25 residues pruned to eliminate duplicates 6 1.990 1.709 -0.064 0.133 0.800 0.200 CA 1.098 ? Z: 10 10.674 1.869 0.570 0.559 1.000 0.667 CA 1.146 9 residues pruned to eliminate duplicates 8 1.484 1.594 -0.237 0.309 0.714 0.429 CB 0.799 ? Z: 8 16.197 1.923 0.726 0.781 1.000 0.714 CB 1.440 8 residues pruned to eliminate duplicates Z: 12 12.914 1.986 0.561 0.634 0.818 0.545 CB 1.354 11 residues pruned to eliminate duplicates Z: 20 13.893 2.056 0.410 0.855 0.737 0.632 CA 1.101 20 residues pruned to eliminate duplicates Z: 17 24.675 2.122 0.316 0.886 1.000 0.812 CB 1.594 17 residues pruned to eliminate duplicates Z: 6 9.641 1.721 0.695 0.841 0.800 0.800 CB 1.378 6 residues pruned to eliminate duplicates Z: 8 6.375 1.939 0.281 0.217 0.857 0.429 CA 1.579 9 residues pruned to eliminate duplicates Z: 12 7.302 1.961 0.274 0.380 0.818 0.545 CA 1.224 12 residues pruned to eliminate duplicates Z: 38 39.229 2.130 0.737 0.677 0.973 0.784 CA 1.522 38 residues pruned to eliminate duplicates Z: 11 15.025 2.178 0.440 0.883 1.000 0.900 CA 1.096 11 residues pruned to eliminate duplicates Z: 8 3.288 1.287 0.556 0.673 0.857 0.571 CB 0.618 Z: 24 23.064 2.071 0.853 0.492 0.913 0.522 CA 1.384 24 residues pruned to eliminate duplicates Z: 47 46.299 2.231 0.640 0.667 0.978 0.674 CB 1.634 47 residues pruned to eliminate duplicates Z: 15 16.572 1.888 0.650 0.858 0.714 0.500 N 1.466 15 residues pruned to eliminate duplicates Z: 35 22.505 2.045 0.499 0.498 0.912 0.500 CB 1.383 35 residues pruned to eliminate duplicates Z: 10 11.365 1.833 0.957 0.594 0.889 0.667 CB 1.086 10 residues pruned to eliminate duplicates Z: 10 12.339 1.970 0.820 0.674 0.667 0.333 CB 1.466 10 residues pruned to eliminate duplicates Z: 12 5.413 1.571 0.596 0.286 0.727 0.364 N 1.139 Z: 8 5.552 1.428 0.596 0.780 0.714 0.714 CB 1.007 8 residues pruned to eliminate duplicates Z: 8 7.148 1.811 0.203 0.577 0.857 0.714 CB 1.342 8 residues pruned to eliminate duplicates Z: 63 27.375 2.142 0.495 0.328 0.855 0.581 CA 1.534 63 residues pruned to eliminate duplicates Z: 8 8.952 1.906 0.478 0.503 0.857 0.571 CA 1.397 8 residues pruned to eliminate duplicates Z: 6 2.249 1.772 0.405 0.299 0.600 0.600 CB 0.843 Z: 53 33.731 2.108 0.533 0.494 0.923 0.596 CA 1.577 51 residues pruned to eliminate duplicates Z: 9 3.622 1.317 0.671 0.511 1.000 0.750 CB 0.576 Z: 14 10.469 1.845 0.429 0.486 0.923 0.615 CA 1.211 11 residues pruned to eliminate duplicates Z: 8 2.934 1.388 0.236 0.373 0.857 0.143 CB 0.865 4 residues pruned to eliminate duplicates Z: 10 7.132 1.604 0.566 0.512 0.889 0.444 CB 1.052 Z: 11 5.818 1.649 0.077 0.405 0.900 0.400 N 1.271 Z: 7 2.858 1.401 -0.029 0.384 1.000 0.500 CB 0.970 7 residues pruned to eliminate duplicates Z: 7 2.950 1.438 0.410 0.367 1.000 0.667 CB 0.685 Z: 7 2.608 1.554 -0.008 0.481 0.833 0.500 CB 0.844 7 residues pruned to eliminate duplicates Z: 8 7.945 1.588 0.485 0.429 1.000 0.571 O 1.371 Z: 20 24.168 2.136 0.573 0.867 0.947 0.474 CB 1.275 20 residues pruned to eliminate duplicates Z: 7 7.271 1.652 0.421 0.497 1.000 0.833 C 1.269 11 residues pruned to eliminate duplicates Z: 19 5.616 1.751 0.331 0.291 0.611 0.333 CA 1.175 17 residues pruned to eliminate duplicates Z: 16 16.745 2.203 0.906 0.286 0.933 0.467 CA 1.404 16 residues pruned to eliminate duplicates Z: 8 6.141 1.547 0.239 0.587 1.000 0.714 CB 1.114 Z: 10 4.588 2.078 0.630 0.379 0.667 0.444 CB 0.770 10 residues pruned to eliminate duplicates Z: 14 22.942 2.175 0.611 0.596 1.000 0.692 CB 1.657 14 residues pruned to eliminate duplicates Z: 10 14.221 1.878 0.528 0.838 0.889 0.667 CA 1.389 10 residues pruned to eliminate duplicates Z: 6 5.144 1.135 0.830 0.875 1.000 0.800 N 0.805 Z: 15 7.301 1.726 0.022 0.452 0.929 0.643 CA 1.251 15 residues pruned to eliminate duplicates Z: 16 13.253 2.082 0.268 0.578 0.933 0.600 CB 1.288 16 residues pruned to eliminate duplicates Z: 23 23.256 2.196 0.834 0.351 0.909 0.636 CB 1.591 23 residues pruned to eliminate duplicates 6 1.869 1.060 1.042 0.299 0.800 0.600 C 0.604 ? Z: 28 17.013 2.086 0.318 0.418 0.889 0.630 CB 1.459 28 residues pruned to eliminate duplicates Z: 37 33.487 2.080 0.536 0.690 0.917 0.694 CB 1.601 37 residues pruned to eliminate duplicates Z: 23 13.122 2.012 0.405 0.569 0.864 0.409 CA 1.072 23 residues pruned to eliminate duplicates Z: 16 13.970 2.050 0.676 0.403 0.800 0.600 CB 1.453 16 residues pruned to eliminate duplicates Z: 6 2.766 1.345 0.271 0.535 0.600 0.400 O 1.166 Z: 15 21.392 2.078 0.772 0.913 0.929 0.429 CA 1.184 15 residues pruned to eliminate duplicates Z: 7 8.161 1.670 0.581 0.459 1.000 0.500 O 1.316 7 residues pruned to eliminate duplicates Z: 14 13.453 2.010 0.439 0.558 0.923 0.615 CB 1.321 14 residues pruned to eliminate duplicates 6 1.185 1.348 0.437 0.329 0.600 0.600 CA 0.550 ? Z: 22 36.707 2.159 0.626 0.908 1.000 0.810 CB 1.621 22 residues pruned to eliminate duplicates Z: 7 3.555 1.369 0.496 0.507 0.833 0.333 CB 0.844 Z: 6 3.679 1.494 0.929 0.296 0.800 0.400 CA 0.897 6 residues pruned to eliminate duplicates Z: 6 3.349 1.557 0.480 0.517 0.800 0.400 CB 0.799 Z: 22 9.864 1.809 0.186 0.340 0.810 0.476 CA 1.476 22 residues pruned to eliminate duplicates Z: 9 6.234 1.620 0.513 0.372 0.875 0.375 CB 1.179 Z: 22 14.995 2.071 0.456 0.466 0.857 0.667 CA 1.310 22 residues pruned to eliminate duplicates Z: 6 3.056 1.403 0.596 0.477 0.800 0.400 N 0.781 Z: 11 3.265 1.485 0.102 0.443 0.700 0.300 CB 0.956 11 residues pruned to eliminate duplicates Z: 6 4.548 2.069 -0.004 0.351 0.800 0.400 CB 1.450 6 residues pruned to eliminate duplicates Z: 16 7.712 1.838 0.333 0.476 0.733 0.333 CA 1.135 16 residues pruned to eliminate duplicates Z: 7 2.167 1.488 -0.085 0.373 0.667 0.500 C 1.117 Z: 15 13.100 1.906 0.558 0.604 0.929 0.857 CB 1.150 15 residues pruned to eliminate duplicates Z: 23 28.160 2.073 0.359 0.918 0.955 0.636 CB 1.575 22 residues pruned to eliminate duplicates Z: 35 27.028 1.987 0.491 0.715 0.941 0.676 CB 1.369 35 residues pruned to eliminate duplicates Z: 11 10.317 2.034 0.433 0.760 0.800 0.400 CB 1.110 11 residues pruned to eliminate duplicates 7 1.983 1.529 0.281 0.567 0.833 0.833 CB 0.465 ? Z: 7 2.404 1.626 -0.274 0.541 0.667 0.333 CB 1.198 Z: 8 10.831 1.915 0.708 0.729 0.857 0.714 CB 1.188 8 residues pruned to eliminate duplicates Z: 7 5.363 1.565 0.022 0.656 1.000 1.000 N 1.184 6 residues pruned to eliminate duplicates Z: 16 8.526 1.948 0.371 0.244 0.867 0.333 CA 1.278 16 residues pruned to eliminate duplicates Z: 22 39.287 2.153 0.946 0.899 0.952 0.667 CB 1.536 22 residues pruned to eliminate duplicates Z: 10 8.382 1.729 0.285 0.542 1.000 0.778 CB 1.207 9 residues pruned to eliminate duplicates Z: 11 6.114 2.021 0.275 0.375 1.000 0.400 CB 0.858 11 residues pruned to eliminate duplicates Z: 7 5.744 1.880 0.006 0.544 0.833 0.667 C 1.425 7 residues pruned to eliminate duplicates Z: 8 6.893 1.908 -0.109 0.683 1.000 0.571 CA 1.296 5 residues pruned to eliminate duplicates Z: 17 8.225 1.722 0.532 0.338 0.688 0.312 CB 1.353 17 residues pruned to eliminate duplicates 6 1.626 1.322 0.777 0.285 0.600 0.600 N 0.658 ? Z: 6 4.949 1.802 0.357 0.729 1.000 0.800 CA 0.736 6 residues pruned to eliminate duplicates Z: 34 20.077 2.118 0.545 0.304 0.848 0.455 CA 1.567 34 residues pruned to eliminate duplicates Z: 9 3.121 1.690 0.173 0.179 0.750 0.500 CB 1.093 Z: 8 6.756 1.828 -0.213 0.841 1.000 0.857 N 1.323 6 1.548 1.261 0.328 0.185 0.800 0.200 CB 0.754 ? Z: 33 29.020 2.054 0.427 0.717 0.969 0.781 CA 1.484 33 residues pruned to eliminate duplicates Z: 6 4.660 1.388 0.354 0.581 1.000 0.800 CA 1.026 Z: 9 4.576 1.505 0.152 0.401 0.875 0.500 CB 1.184 6 1.904 1.517 0.074 0.129 0.800 0.600 CB 1.039 ? Z: 7 2.551 1.340 0.594 0.247 0.667 0.500 C 0.979 Z: 17 12.703 2.030 0.492 0.790 0.812 0.500 CA 1.001 17 residues pruned to eliminate duplicates Z: 26 18.584 2.180 0.595 0.352 0.840 0.600 CA 1.494 26 residues pruned to eliminate duplicates Z: 15 8.478 1.762 0.668 0.388 0.857 0.286 CB 1.013 15 residues pruned to eliminate duplicates Z: 6 2.275 1.580 0.376 0.297 0.600 0.400 CB 0.978 Z: 6 2.680 1.645 0.096 0.300 0.800 0.400 CA 1.039 Z: 7 5.889 1.766 0.701 0.509 0.833 0.500 N 0.953 Z: 8 4.730 1.478 0.467 0.634 0.857 0.571 CB 0.848 8 residues pruned to eliminate duplicates Z: 10 4.398 1.474 0.613 0.290 0.667 0.556 N 1.170 Z: 44 40.606 2.220 0.490 0.717 0.977 0.744 CA 1.575 44 residues pruned to eliminate duplicates Z: 7 3.147 1.485 0.258 0.335 0.667 0.333 CA 1.236 Z: 10 4.205 1.642 0.188 0.398 0.667 0.556 CA 1.200 Z: 11 3.664 1.458 0.350 0.273 0.700 0.400 CA 1.087 Z: 13 8.340 1.718 0.319 0.577 0.833 0.583 CB 1.184 14 residues pruned to eliminate duplicates Z: 18 15.469 2.013 0.320 0.551 0.882 0.471 CB 1.522 18 residues pruned to eliminate duplicates Z: 34 21.919 2.196 0.516 0.306 0.909 0.485 CB 1.565 34 residues pruned to eliminate duplicates Z: 13 5.759 1.876 0.404 0.221 0.667 0.417 CB 1.313 13 residues pruned to eliminate duplicates Z: 18 16.024 2.073 0.290 0.885 1.000 0.824 CA 1.049 18 residues pruned to eliminate duplicates Z: 16 11.201 1.831 0.444 0.497 0.933 0.467 CB 1.175 16 residues pruned to eliminate duplicates Z: 10 9.196 1.874 0.777 0.420 0.778 0.333 CA 1.287 Z: 7 8.393 1.944 0.309 0.828 1.000 0.833 CB 1.014 7 residues pruned to eliminate duplicates Z: 12 15.556 2.276 0.196 0.768 1.000 0.727 CB 1.358 12 residues pruned to eliminate duplicates Z: 26 12.158 2.007 0.340 0.321 0.720 0.480 CB 1.529 32 residues pruned to eliminate duplicates Z: 39 25.369 2.139 0.676 0.295 0.947 0.500 CA 1.525 39 residues pruned to eliminate duplicates Z: 22 25.501 2.111 0.582 0.758 0.952 0.667 CB 1.391 22 residues pruned to eliminate duplicates Z: 20 34.359 2.241 0.796 0.897 0.947 0.526 CB 1.479 20 residues pruned to eliminate duplicates Z: 22 7.258 1.739 0.557 0.289 0.714 0.524 CB 1.037 22 residues pruned to eliminate duplicates Z: 26 10.212 1.867 0.446 0.242 0.800 0.400 CA 1.275 26 residues pruned to eliminate duplicates Z: 17 16.468 2.134 0.458 0.913 1.000 0.875 CA 0.937 17 residues pruned to eliminate duplicates Z: 18 23.605 2.184 0.374 0.876 0.941 0.647 CB 1.473 18 residues pruned to eliminate duplicates Z: 27 9.364 1.800 0.391 0.310 0.692 0.423 CB 1.308 48 residues pruned to eliminate duplicates Z: 8 4.308 1.761 0.157 0.546 1.000 0.857 CA 0.765 8 residues pruned to eliminate duplicates Z: 7 10.331 2.097 0.099 0.555 1.000 0.667 N 1.735 9 residues pruned to eliminate duplicates Z: 6 2.668 1.462 0.149 0.601 0.800 0.800 CB 0.807 Z: 31 23.919 2.126 0.335 0.641 0.900 0.633 CA 1.499 31 residues pruned to eliminate duplicates Z: 16 12.490 2.106 0.156 0.534 0.867 0.467 CB 1.479 16 residues pruned to eliminate duplicates Z: 6 3.692 1.350 0.586 0.371 0.800 0.600 CA 1.106 Z: 6 9.234 1.842 0.482 0.692 0.800 0.800 CA 1.587 Z: 7 6.147 1.778 0.596 0.624 1.000 0.667 CB 0.787 11 residues pruned to eliminate duplicates Z: 7 8.222 1.754 0.716 0.630 1.000 0.500 CB 0.987 Z: 10 6.208 1.829 0.406 0.385 0.778 0.667 N 1.169 10 residues pruned to eliminate duplicates Z: 6 3.578 1.433 0.511 0.299 0.800 0.600 O 1.156 Z: 39 33.004 2.180 0.531 0.605 0.921 0.316 CB 1.577 39 residues pruned to eliminate duplicates Z: 15 6.041 1.612 0.178 0.348 0.857 0.357 CB 1.171 19 residues pruned to eliminate duplicates Z: 13 19.825 2.148 0.646 0.907 1.000 0.917 CA 1.150 13 residues pruned to eliminate duplicates Z: 7 4.548 1.861 0.455 0.675 1.000 0.833 CA 0.584 7 residues pruned to eliminate duplicates Z: 15 8.013 1.787 0.404 0.297 0.857 0.429 CA 1.250 15 residues pruned to eliminate duplicates 6 1.577 1.521 -0.003 0.203 0.600 0.400 CB 1.102 ? Z: 18 4.855 1.596 0.370 0.311 0.765 0.412 CB 0.868 Z: 47 41.137 2.120 0.769 0.597 0.957 0.478 CB 1.542 47 residues pruned to eliminate duplicates Z: 9 6.796 1.949 0.284 0.352 0.750 0.500 CB 1.503 9 residues pruned to eliminate duplicates Z: 13 8.554 1.722 0.203 0.418 0.917 0.500 N 1.417 10 residues pruned to eliminate duplicates Z: 38 29.856 2.013 0.428 0.658 0.973 0.676 CB 1.516 38 residues pruned to eliminate duplicates 6 1.398 1.543 0.232 0.100 0.600 0.200 CA 0.913 ? Z: 14 17.749 2.047 0.580 0.545 1.000 0.692 CB 1.457 14 residues pruned to eliminate duplicates Z: 8 4.538 1.547 0.095 0.370 1.000 0.857 CA 1.164 6 residues pruned to eliminate duplicates Z: 6 2.170 1.594 -0.277 0.409 0.800 0.400 O 1.157 4 residues pruned to eliminate duplicates Z: 17 3.955 1.498 0.349 0.207 0.688 0.250 CB 1.006 Z: 8 8.538 1.830 0.318 0.810 1.000 0.286 CA 1.021 8 residues pruned to eliminate duplicates Z: 9 4.522 1.504 0.177 0.559 1.000 0.625 CB 0.853 Z: 8 3.763 1.535 0.109 0.584 0.714 0.571 O 1.079 7 residues pruned to eliminate duplicates Z: 19 12.760 1.795 0.531 0.422 0.889 0.556 CB 1.335 19 residues pruned to eliminate duplicates Z: 44 28.515 2.061 0.576 0.640 0.837 0.651 CA 1.402 42 residues pruned to eliminate duplicates Z: 7 3.517 1.506 0.142 0.409 0.833 0.500 CB 1.102 Z: 6 5.739 1.911 0.009 0.511 1.000 1.000 N 1.317 6 residues pruned to eliminate duplicates Z: 7 6.927 1.837 0.466 0.495 0.833 0.500 CA 1.266 7 residues pruned to eliminate duplicates Z: 8 3.987 1.503 0.244 0.544 1.000 1.000 CB 0.772 Z: 12 17.869 2.049 0.748 0.857 1.000 0.818 CA 1.109 12 residues pruned to eliminate duplicates Z: 7 5.742 1.816 -0.355 0.797 1.000 0.667 O 1.544 7 residues pruned to eliminate duplicates Z: 35 25.420 2.221 0.614 0.327 0.912 0.529 CB 1.613 35 residues pruned to eliminate duplicates 8 1.839 1.531 0.002 0.312 0.857 0.571 CB 0.651 ? Z: 33 17.131 2.050 0.281 0.363 0.906 0.500 CB 1.475 33 residues pruned to eliminate duplicates Z: 9 4.124 1.752 0.254 0.379 0.625 0.250 N 1.208 Z: 16 11.951 1.858 0.532 0.507 0.867 0.600 CB 1.242 17 residues pruned to eliminate duplicates Z: 10 7.490 1.648 0.647 0.479 0.778 0.444 CB 1.209 10 residues pruned to eliminate duplicates Z: 6 6.420 1.515 0.317 0.667 1.000 0.800 N 1.233 5 residues pruned to eliminate duplicates Z: 6 7.148 1.964 0.121 0.616 1.000 0.800 CB 1.301 15 residues pruned to eliminate duplicates Z: 16 6.365 1.811 0.191 0.321 0.800 0.600 CB 1.161 16 residues pruned to eliminate duplicates Z: 8 7.384 1.749 0.457 0.410 1.000 0.857 N 1.204 8 residues pruned to eliminate duplicates Z: 26 14.188 1.862 0.447 0.386 0.840 0.520 CA 1.416 26 residues pruned to eliminate duplicates Z: 38 26.389 2.041 0.512 0.690 0.946 0.676 CA 1.249 38 residues pruned to eliminate duplicates Z: 6 4.090 1.209 0.815 0.464 1.000 0.600 CB 0.865 Z: 23 11.849 2.003 0.352 0.279 0.773 0.500 CB 1.549 23 residues pruned to eliminate duplicates 6 0.198 1.294 0.279 0.477 0.800 0.600 CB 0.068 ? Z: 7 3.156 1.520 0.303 0.241 0.833 0.333 O 1.053 Z: 8 2.266 1.298 0.213 0.350 0.714 0.429 CA 0.897 Z: 10 4.319 1.416 0.447 0.335 0.778 0.667 CA 1.082 10 residues pruned to eliminate duplicates Z: 16 42.088 2.326 0.842 0.890 1.000 0.533 CB 1.825 16 residues pruned to eliminate duplicates Z: 6 4.119 1.490 0.262 0.291 1.000 0.600 CA 1.238 Z: 7 4.213 1.593 0.123 0.430 1.000 0.500 N 1.033 7 residues pruned to eliminate duplicates Z: 37 34.510 2.133 0.637 0.611 0.944 0.694 CA 1.571 37 residues pruned to eliminate duplicates Z: 8 4.171 1.707 0.481 0.463 0.714 0.429 CB 0.907 Z: 8 4.979 1.655 0.277 0.415 0.857 0.571 CA 1.135 8 residues pruned to eliminate duplicates Z: 13 3.118 1.552 0.183 0.353 0.833 0.417 CB 0.689 13 residues pruned to eliminate duplicates Z: 8 3.516 1.448 0.590 0.332 0.857 0.714 CA 0.809 Z: 7 3.202 1.322 0.301 0.754 1.000 0.667 CA 0.606 Z: 13 18.148 2.066 0.276 0.861 1.000 0.750 CB 1.460 13 residues pruned to eliminate duplicates Z: 44 23.270 2.136 0.294 0.423 0.860 0.395 CB 1.616 44 residues pruned to eliminate duplicates Z: 6 4.253 1.425 0.257 0.562 1.000 0.800 CA 1.000 Z: 9 2.618 1.548 0.189 0.371 0.625 0.625 CB 0.924 Z: 42 19.308 2.118 0.449 0.299 0.902 0.537 CA 1.363 42 residues pruned to eliminate duplicates Z: 10 2.954 1.801 0.354 0.344 0.667 0.556 CB 0.718 10 residues pruned to eliminate duplicates Z: 14 9.415 2.045 0.344 0.403 0.769 0.308 CB 1.368 18 residues pruned to eliminate duplicates Z: 7 3.033 1.521 0.364 0.317 0.667 0.333 CB 1.095 Z: 53 26.975 2.157 0.570 0.332 0.885 0.558 CA 1.500 53 residues pruned to eliminate duplicates Z: 6 3.179 1.495 0.191 0.234 1.000 0.600 CA 1.088 Z: 6 4.371 1.468 0.597 0.398 1.000 0.600 CA 0.929 Z: 9 8.722 1.771 0.489 0.576 0.875 0.625 CA 1.243 9 residues pruned to eliminate duplicates Z: 38 20.849 2.041 0.562 0.329 0.838 0.486 CA 1.549 38 residues pruned to eliminate duplicates Z: 10 9.377 1.875 0.316 0.424 1.000 0.778 CB 1.370 9 residues pruned to eliminate duplicates Z: 10 6.214 1.611 0.573 0.471 0.778 0.444 CA 1.082 10 residues pruned to eliminate duplicates 11 1.637 1.498 -0.028 0.218 0.700 0.300 CB 0.707 ? Z: 30 27.549 2.111 0.308 0.727 1.000 0.828 CA 1.510 29 residues pruned to eliminate duplicates Z: 12 11.382 1.743 0.479 0.498 1.000 0.545 CA 1.334 13 residues pruned to eliminate duplicates 7 1.350 1.208 0.001 0.350 1.000 0.333 N 0.537 ? Z: 6 7.102 1.881 0.722 0.604 1.000 0.600 CA 0.888 Z: 7 4.641 1.625 0.147 0.540 0.833 0.500 CA 1.174 7 residues pruned to eliminate duplicates 6 1.459 1.113 0.228 0.405 0.800 0.600 C 0.659 ? Z: 11 3.138 1.272 0.529 0.156 0.800 0.300 CB 0.972 Z: 10 6.428 1.738 0.110 0.476 0.889 0.667 CA 1.281 17 residues pruned to eliminate duplicates Z: 12 16.161 2.116 0.508 0.443 1.000 0.727 CA 1.619 12 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 14.732 2.133 0.246 0.707 1.000 0.800 CA 1.452 13 residues pruned to eliminate duplicates Z: 13 12.156 1.985 0.249 0.600 0.917 0.750 CB 1.405 13 residues pruned to eliminate duplicates Z: 11 15.466 2.080 0.532 0.631 0.900 0.800 CA 1.507 11 residues pruned to eliminate duplicates Z: 11 16.651 2.091 0.364 0.687 1.000 0.800 CA 1.555 11 residues pruned to eliminate duplicates Z: 12 14.122 2.023 0.351 0.640 0.909 0.727 CA 1.502 12 residues pruned to eliminate duplicates Z: 7 10.225 2.058 0.233 0.781 1.000 0.667 CB 1.283 7 residues pruned to eliminate duplicates Z: 13 11.324 1.978 0.131 0.608 0.917 0.750 CA 1.439 13 residues pruned to eliminate duplicates Z: 12 13.053 2.048 0.173 0.666 0.909 0.727 CA 1.546 12 residues pruned to eliminate duplicates Z: 6 3.351 1.737 0.296 0.614 0.800 0.400 CB 0.747 5 residues pruned to eliminate duplicates Z: 9 6.482 1.778 0.825 0.374 0.750 0.625 CB 1.078 9 residues pruned to eliminate duplicates Z: 7 7.107 1.723 0.967 0.440 0.833 0.667 CA 1.094 7 residues pruned to eliminate duplicates Z: 10 6.934 1.555 0.476 0.437 0.889 0.556 CA 1.209 10 residues pruned to eliminate duplicates Z: 19 6.790 1.548 0.377 0.343 0.889 0.333 CB 1.002 9 residues pruned to eliminate duplicates Z: 6 2.208 1.365 0.738 0.281 0.600 0.600 CA 0.888 6 residues pruned to eliminate duplicates Z: 10 17.305 2.153 0.466 0.611 1.000 0.778 CA 1.644 11 residues pruned to eliminate duplicates Z: 6 4.544 1.517 0.414 0.377 1.000 1.000 CB 1.080 6 residues pruned to eliminate duplicates Z: 10 20.017 2.147 0.618 0.568 1.000 0.778 CA 1.798 10 residues pruned to eliminate duplicates Z: 7 6.929 1.655 0.775 0.459 1.000 0.667 CA 1.004 7 residues pruned to eliminate duplicates Z: 15 16.214 1.994 0.510 0.552 0.857 0.571 CA 1.595 16 residues pruned to eliminate duplicates Z: 14 16.495 1.982 0.472 0.481 1.000 0.538 CA 1.598 14 residues pruned to eliminate duplicates Z: 16 10.746 1.820 0.410 0.373 0.867 0.600 CB 1.429 16 residues pruned to eliminate duplicates Z: 12 17.973 1.971 0.536 0.572 1.000 0.727 C 1.669 11 residues pruned to eliminate duplicates Z: 10 15.453 2.067 0.562 0.564 0.889 0.556 CA 1.686 10 residues pruned to eliminate duplicates Z: 16 12.967 1.821 0.655 0.491 0.867 0.600 CB 1.293 16 residues pruned to eliminate duplicates Z: 10 17.023 2.025 0.531 0.574 1.000 0.667 CA 1.704 10 residues pruned to eliminate duplicates Z: 15 16.746 1.981 0.490 0.518 1.000 0.643 CA 1.490 15 residues pruned to eliminate duplicates Z: 15 15.397 1.896 0.566 0.460 0.929 0.571 CA 1.555 15 residues pruned to eliminate duplicates Z: 16 16.622 1.937 0.601 0.486 0.867 0.667 CA 1.619 16 residues pruned to eliminate duplicates Z: 10 17.083 1.978 0.861 0.486 1.000 0.556 C 1.569 10 residues pruned to eliminate duplicates Z: 11 10.952 2.121 0.898 0.244 0.900 0.400 CA 1.285 21 residues pruned to eliminate duplicates Z: 28 23.568 2.159 0.684 0.345 0.926 0.481 CB 1.596 28 residues pruned to eliminate duplicates Z: 29 21.870 2.153 0.669 0.332 0.857 0.464 CB 1.613 29 residues pruned to eliminate duplicates Z: 28 24.359 2.148 0.607 0.386 0.963 0.519 CA 1.592 28 residues pruned to eliminate duplicates Z: 27 19.386 2.190 0.640 0.304 0.846 0.346 CB 1.556 27 residues pruned to eliminate duplicates Z: 24 22.983 2.280 0.678 0.378 0.913 0.565 CB 1.563 24 residues pruned to eliminate duplicates Z: 25 24.279 2.295 0.758 0.356 0.875 0.542 CA 1.640 25 residues pruned to eliminate duplicates Z: 25 25.120 2.267 0.735 0.355 0.958 0.500 CA 1.590 25 residues pruned to eliminate duplicates Z: 24 25.227 2.320 0.793 0.403 0.826 0.609 CB 1.696 24 residues pruned to eliminate duplicates Z: 25 21.651 2.247 0.676 0.343 0.833 0.500 CA 1.670 25 residues pruned to eliminate duplicates Z: 25 22.632 2.238 0.769 0.279 0.917 0.500 CA 1.633 25 residues pruned to eliminate duplicates Z: 52 30.188 2.206 0.595 0.356 0.882 0.549 CA 1.589 52 residues pruned to eliminate duplicates Z: 45 21.856 2.164 0.408 0.299 0.841 0.432 CA 1.610 45 residues pruned to eliminate duplicates Z: 24 23.617 2.322 0.741 0.372 0.826 0.609 CB 1.690 24 residues pruned to eliminate duplicates Z: 28 22.784 2.153 0.727 0.307 0.926 0.481 CA 1.579 28 residues pruned to eliminate duplicates Z: 27 24.961 2.204 0.745 0.354 0.962 0.462 CA 1.551 27 residues pruned to eliminate duplicates Z: 14 19.159 2.303 0.670 0.467 0.846 0.462 CA 1.689 14 residues pruned to eliminate duplicates Z: 23 25.122 2.353 0.713 0.329 0.955 0.500 CA 1.680 23 residues pruned to eliminate duplicates Z: 25 25.595 2.227 0.816 0.376 0.917 0.500 CB 1.608 25 residues pruned to eliminate duplicates Z: 24 25.739 2.316 0.691 0.378 0.957 0.522 CB 1.633 24 residues pruned to eliminate duplicates Z: 57 25.252 2.160 0.521 0.286 0.857 0.429 CB 1.524 57 residues pruned to eliminate duplicates Z: 54 25.296 2.108 0.510 0.328 0.849 0.509 CB 1.552 54 residues pruned to eliminate duplicates Z: 63 25.450 2.132 0.558 0.284 0.823 0.468 CA 1.510 63 residues pruned to eliminate duplicates Z: 54 26.129 2.102 0.540 0.352 0.868 0.415 CB 1.500 54 residues pruned to eliminate duplicates Z: 26 20.211 2.150 0.641 0.353 0.880 0.560 CA 1.526 26 residues pruned to eliminate duplicates Z: 50 25.722 2.199 0.535 0.306 0.898 0.469 CA 1.504 50 residues pruned to eliminate duplicates Z: 54 29.380 2.210 0.572 0.329 0.887 0.528 CB 1.580 54 residues pruned to eliminate duplicates Z: 28 16.287 2.109 0.376 0.359 0.852 0.444 CB 1.476 28 residues pruned to eliminate duplicates Z: 39 25.508 2.202 0.606 0.324 0.921 0.526 CA 1.542 39 residues pruned to eliminate duplicates Z: 45 27.501 2.181 0.664 0.327 0.886 0.500 CB 1.557 45 residues pruned to eliminate duplicates Z: 42 26.491 2.167 0.622 0.338 0.951 0.537 CA 1.478 42 residues pruned to eliminate duplicates Z: 62 30.066 2.162 0.447 0.340 0.902 0.492 CA 1.624 62 residues pruned to eliminate duplicates Z: 29 14.720 2.089 0.234 0.366 0.821 0.429 CA 1.518 29 residues pruned to eliminate duplicates Z: 38 23.609 2.202 0.619 0.304 0.892 0.622 CA 1.519 38 residues pruned to eliminate duplicates Z: 55 27.947 2.164 0.576 0.354 0.889 0.574 CB 1.470 55 residues pruned to eliminate duplicates Z: 56 28.936 2.152 0.597 0.321 0.873 0.527 CA 1.585 56 residues pruned to eliminate duplicates Z: 30 17.707 2.054 0.399 0.363 0.862 0.552 CA 1.538 30 residues pruned to eliminate duplicates Z: 54 28.049 2.136 0.502 0.325 0.925 0.528 CB 1.574 54 residues pruned to eliminate duplicates Z: 55 30.741 2.191 0.597 0.336 0.907 0.556 CB 1.576 59 residues pruned to eliminate duplicates Z: 6 4.335 1.751 0.536 0.346 1.000 0.800 CA 0.851 6 residues pruned to eliminate duplicates Z: 25 14.650 2.074 0.257 0.327 0.875 0.458 CB 1.585 25 residues pruned to eliminate duplicates Z: 24 11.730 2.089 0.169 0.295 0.870 0.478 CB 1.449 24 residues pruned to eliminate duplicates Z: 25 14.326 2.084 0.227 0.343 0.875 0.375 CB 1.550 25 residues pruned to eliminate duplicates Z: 84 36.721 2.199 0.438 0.384 0.892 0.542 CA 1.617 84 residues pruned to eliminate duplicates Z: 63 26.912 2.122 0.459 0.305 0.887 0.452 CB 1.546 63 residues pruned to eliminate duplicates Z: 6 2.997 1.516 -0.180 0.373 1.000 0.600 O 1.235 6 residues pruned to eliminate duplicates Z: 67 26.869 2.116 0.480 0.283 0.848 0.424 CA 1.590 67 residues pruned to eliminate duplicates Z: 24 12.827 2.146 0.116 0.332 0.826 0.304 CB 1.624 24 residues pruned to eliminate duplicates Z: 99 40.362 2.184 0.367 0.467 0.888 0.582 CB 1.591 99 residues pruned to eliminate duplicates Z: 46 42.122 2.238 0.532 0.635 0.978 0.689 CA 1.650 46 residues pruned to eliminate duplicates Z: 44 43.665 2.269 0.580 0.683 0.977 0.791 CA 1.608 44 residues pruned to eliminate duplicates Z: 44 43.760 2.269 0.591 0.671 0.977 0.651 CB 1.616 44 residues pruned to eliminate duplicates Z: 23 25.534 2.244 0.508 0.595 0.864 0.773 CA 1.702 23 residues pruned to eliminate duplicates Z: 43 47.662 2.282 0.650 0.692 1.000 0.738 CA 1.638 43 residues pruned to eliminate duplicates Z: 52 42.988 2.277 0.459 0.626 0.980 0.706 CB 1.641 52 residues pruned to eliminate duplicates Z: 55 44.633 2.265 0.575 0.606 0.944 0.611 CB 1.630 55 residues pruned to eliminate duplicates Z: 64 42.558 2.214 0.466 0.555 0.952 0.603 CA 1.644 64 residues pruned to eliminate duplicates Z: 19 34.470 2.234 0.864 0.753 0.889 0.556 CA 1.752 19 residues pruned to eliminate duplicates Z: 40 38.166 2.252 0.587 0.640 0.949 0.718 CA 1.581 40 residues pruned to eliminate duplicates Z: 44 45.144 2.251 0.546 0.702 1.000 0.628 CB 1.645 44 residues pruned to eliminate duplicates Z: 55 41.196 2.246 0.505 0.585 0.926 0.611 CA 1.651 55 residues pruned to eliminate duplicates Z: 41 41.287 2.231 0.725 0.660 0.925 0.625 CA 1.581 41 residues pruned to eliminate duplicates Z: 55 40.785 2.239 0.431 0.617 0.963 0.611 CB 1.611 55 residues pruned to eliminate duplicates Z: 21 20.068 2.180 0.713 0.477 0.800 0.450 CA 1.538 21 residues pruned to eliminate duplicates Z: 43 39.374 2.249 0.458 0.663 1.000 0.714 CA 1.594 43 residues pruned to eliminate duplicates Z: 45 42.938 2.255 0.574 0.671 0.955 0.636 CB 1.632 45 residues pruned to eliminate duplicates Z: 54 48.623 2.272 0.614 0.618 0.981 0.642 CB 1.660 54 residues pruned to eliminate duplicates Z: 42 41.735 2.299 0.453 0.686 1.000 0.634 CA 1.645 42 residues pruned to eliminate duplicates Z: 44 42.315 2.245 0.476 0.697 0.977 0.558 CB 1.666 44 residues pruned to eliminate duplicates Z: 44 40.608 2.281 0.604 0.673 0.930 0.512 CB 1.551 44 residues pruned to eliminate duplicates Z: 43 44.484 2.277 0.663 0.676 0.952 0.619 CB 1.618 43 residues pruned to eliminate duplicates Z: 44 41.154 2.241 0.619 0.674 0.953 0.605 CB 1.546 44 residues pruned to eliminate duplicates Z: 45 41.834 2.273 0.544 0.674 0.955 0.523 CB 1.603 45 residues pruned to eliminate duplicates Z: 42 45.038 2.278 0.640 0.706 0.976 0.585 CB 1.600 42 residues pruned to eliminate duplicates Z: 44 40.814 2.258 0.485 0.675 0.977 0.628 CB 1.617 44 residues pruned to eliminate duplicates Z: 34 37.308 2.274 0.699 0.640 0.939 0.606 CA 1.571 34 residues pruned to eliminate duplicates Z: 53 48.131 2.280 0.654 0.603 0.962 0.538 CB 1.669 53 residues pruned to eliminate duplicates Z: 54 44.706 2.267 0.536 0.601 0.981 0.509 CB 1.633 54 residues pruned to eliminate duplicates Z: 52 41.070 2.244 0.532 0.570 0.941 0.529 CA 1.662 52 residues pruned to eliminate duplicates Z: 50 38.531 2.101 0.748 0.603 0.918 0.490 CB 1.479 50 residues pruned to eliminate duplicates Z: 19 16.781 2.145 0.319 0.496 0.944 0.556 CB 1.486 19 residues pruned to eliminate duplicates Z: 52 35.751 2.141 0.752 0.518 0.843 0.451 CB 1.555 52 residues pruned to eliminate duplicates Z: 10 18.948 2.257 0.508 0.847 0.889 0.667 CB 1.550 10 residues pruned to eliminate duplicates Z: 43 45.292 2.246 0.682 0.682 0.976 0.452 CB 1.603 43 residues pruned to eliminate duplicates Z: 17 17.178 2.069 0.379 0.579 1.000 0.375 CB 1.395 17 residues pruned to eliminate duplicates Z: 43 46.213 2.276 0.610 0.686 1.000 0.405 CB 1.641 43 residues pruned to eliminate duplicates Z: 27 25.386 2.215 0.552 0.470 0.962 0.346 CB 1.552 27 residues pruned to eliminate duplicates Z: 50 46.163 2.249 0.698 0.648 0.959 0.490 CB 1.568 50 residues pruned to eliminate duplicates Z: 46 40.563 2.197 0.680 0.637 0.933 0.289 CB 1.544 46 residues pruned to eliminate duplicates Z: 55 45.880 2.250 0.665 0.626 0.963 0.444 CB 1.536 55 residues pruned to eliminate duplicates Z: 43 44.868 2.263 0.633 0.708 0.976 0.643 CA 1.589 43 residues pruned to eliminate duplicates Z: 28 24.368 2.239 0.512 0.491 0.963 0.481 CB 1.451 28 residues pruned to eliminate duplicates Z: 26 25.839 2.221 0.609 0.516 0.960 0.360 CB 1.483 27 residues pruned to eliminate duplicates Z: 10 10.571 2.149 0.397 0.563 0.889 0.444 CB 1.243 10 residues pruned to eliminate duplicates Z: 54 48.706 2.280 0.682 0.575 0.981 0.453 CB 1.654 54 residues pruned to eliminate duplicates Z: 15 13.886 1.964 0.647 0.302 1.000 0.500 CB 1.430 12 residues pruned to eliminate duplicates Z: 6 10.966 1.761 1.315 0.481 1.000 0.800 N 1.227 6 residues pruned to eliminate duplicates Z: 12 15.425 2.229 0.625 0.290 1.000 0.273 CA 1.626 12 residues pruned to eliminate duplicates Z: 20 11.436 1.872 0.650 0.210 0.789 0.368 CB 1.517 15 residues pruned to eliminate duplicates Z: 6 5.265 1.864 0.384 0.299 0.800 0.200 N 1.428 6 residues pruned to eliminate duplicates Z: 14 13.711 2.028 0.857 0.276 1.000 0.385 CB 1.300 14 residues pruned to eliminate duplicates Z: 49 32.916 2.142 0.645 0.564 0.917 0.396 CB 1.383 49 residues pruned to eliminate duplicates Z: 15 11.091 1.912 0.519 0.298 0.857 0.357 CB 1.492 15 residues pruned to eliminate duplicates Z: 10 3.419 1.149 0.671 0.451 0.778 0.444 CB 0.803 10 residues pruned to eliminate duplicates Z: 54 42.560 2.129 0.744 0.522 0.981 0.660 CA 1.570 54 residues pruned to eliminate duplicates Z: 64 39.418 2.060 0.660 0.494 0.952 0.556 CA 1.534 64 residues pruned to eliminate duplicates Z: 63 41.001 2.090 0.641 0.519 0.952 0.597 CA 1.566 63 residues pruned to eliminate duplicates Z: 58 40.493 2.132 0.647 0.533 0.947 0.667 CA 1.561 58 residues pruned to eliminate duplicates Z: 64 35.057 2.055 0.529 0.517 0.937 0.571 CA 1.476 64 residues pruned to eliminate duplicates Z: 58 42.448 2.139 0.765 0.528 0.930 0.614 CA 1.558 59 residues pruned to eliminate duplicates Z: 7 2.335 1.655 0.371 0.247 0.667 0.500 CB 0.844 7 residues pruned to eliminate duplicates Z: 28 17.185 2.039 0.599 0.276 0.852 0.407 CB 1.534 28 residues pruned to eliminate duplicates Z: 40 31.678 2.166 0.575 0.568 0.897 0.667 CB 1.552 40 residues pruned to eliminate duplicates Z: 56 39.558 2.149 0.651 0.554 0.927 0.636 CA 1.537 56 residues pruned to eliminate duplicates Z: 28 23.956 2.152 0.737 0.397 0.926 0.630 CB 1.485 28 residues pruned to eliminate duplicates Z: 51 38.528 2.099 0.661 0.553 0.960 0.660 CA 1.546 51 residues pruned to eliminate duplicates Z: 48 38.305 2.121 0.624 0.613 0.936 0.617 CB 1.556 48 residues pruned to eliminate duplicates Z: 53 43.921 2.160 0.763 0.558 0.962 0.615 CA 1.573 53 residues pruned to eliminate duplicates Z: 54 39.262 2.136 0.675 0.516 0.925 0.604 CA 1.604 54 residues pruned to eliminate duplicates Z: 57 39.138 2.108 0.657 0.502 0.946 0.625 CA 1.580 57 residues pruned to eliminate duplicates Z: 65 36.207 2.065 0.537 0.487 0.938 0.562 CA 1.541 65 residues pruned to eliminate duplicates Z: 59 36.970 2.085 0.647 0.530 0.897 0.517 CB 1.531 59 residues pruned to eliminate duplicates Z: 58 42.262 2.128 0.723 0.529 0.930 0.684 CB 1.596 58 residues pruned to eliminate duplicates Z: 40 34.656 2.173 0.623 0.597 0.923 0.718 CA 1.554 40 residues pruned to eliminate duplicates Z: 53 37.148 2.157 0.595 0.523 0.923 0.673 CA 1.586 53 residues pruned to eliminate duplicates Z: 7 5.478 1.464 0.652 0.508 0.833 0.667 N 1.101 7 residues pruned to eliminate duplicates Z: 37 36.088 2.094 0.610 0.701 0.917 0.667 CA 1.620 37 residues pruned to eliminate duplicates Z: 63 38.112 2.103 0.615 0.512 0.887 0.581 CA 1.588 63 residues pruned to eliminate duplicates Z: 54 42.797 2.156 0.692 0.568 0.981 0.623 CA 1.539 54 residues pruned to eliminate duplicates Z: 49 40.843 2.095 0.761 0.596 0.979 0.604 CA 1.488 49 residues pruned to eliminate duplicates Z: 27 29.256 2.115 0.593 0.723 0.923 0.731 CB 1.509 27 residues pruned to eliminate duplicates Z: 57 34.918 2.103 0.519 0.523 0.929 0.500 CA 1.537 57 residues pruned to eliminate duplicates Z: 28 28.442 2.127 0.596 0.686 0.889 0.630 CB 1.531 28 residues pruned to eliminate duplicates Z: 41 28.552 2.001 0.599 0.625 0.850 0.575 CA 1.476 41 residues pruned to eliminate duplicates Z: 37 36.398 2.120 0.647 0.684 0.917 0.667 CB 1.602 37 residues pruned to eliminate duplicates Z: 36 32.816 2.108 0.535 0.692 0.914 0.629 CA 1.572 36 residues pruned to eliminate duplicates Z: 34 35.227 2.075 0.745 0.708 0.939 0.545 CA 1.493 34 residues pruned to eliminate duplicates Z: 29 28.336 2.046 0.672 0.680 0.857 0.571 CB 1.548 29 residues pruned to eliminate duplicates Z: 28 34.659 2.172 0.708 0.718 0.926 0.556 CA 1.595 28 residues pruned to eliminate duplicates Z: 49 38.998 2.140 0.792 0.553 0.896 0.646 CA 1.556 49 residues pruned to eliminate duplicates Z: 41 32.564 2.041 0.640 0.632 0.875 0.625 CA 1.552 41 residues pruned to eliminate duplicates Z: 41 29.917 1.992 0.547 0.670 0.875 0.575 CB 1.500 41 residues pruned to eliminate duplicates Z: 46 43.651 2.121 0.843 0.630 0.933 0.556 CB 1.579 46 residues pruned to eliminate duplicates Z: 34 29.811 2.019 0.654 0.592 0.879 0.424 CB 1.619 34 residues pruned to eliminate duplicates Z: 62 37.648 2.101 0.679 0.505 0.869 0.541 CB 1.565 62 residues pruned to eliminate duplicates Z: 36 39.388 2.101 0.795 0.699 0.943 0.629 CB 1.562 36 residues pruned to eliminate duplicates Z: 25 32.557 2.127 0.656 0.772 0.917 0.542 CB 1.618 25 residues pruned to eliminate duplicates Z: 33 35.797 2.112 0.684 0.731 0.906 0.500 CA 1.594 33 residues pruned to eliminate duplicates Z: 57 40.110 2.126 0.749 0.554 0.875 0.500 CB 1.562 57 residues pruned to eliminate duplicates Z: 59 40.804 2.112 0.727 0.551 0.862 0.431 CA 1.621 59 residues pruned to eliminate duplicates Z: 37 35.400 2.074 0.690 0.686 0.889 0.361 CB 1.596 37 residues pruned to eliminate duplicates Z: 6 2.638 1.539 0.318 0.256 0.800 0.200 CA 0.962 Z: 58 41.332 2.133 0.736 0.546 0.877 0.544 CA 1.611 58 residues pruned to eliminate duplicates Z: 8 8.988 1.903 0.045 0.683 1.000 0.571 O 1.443 8 residues pruned to eliminate duplicates Z: 29 13.088 1.867 0.299 0.403 0.786 0.536 CA 1.437 34 residues pruned to eliminate duplicates Z: 6 5.904 1.557 0.185 0.862 1.000 0.800 O 1.050 6 residues pruned to eliminate duplicates Z: 8 7.441 1.882 -0.131 0.718 1.000 0.571 CA 1.412 8 residues pruned to eliminate duplicates Z: 13 8.218 1.731 0.421 0.464 0.833 0.500 CB 1.202 11 residues pruned to eliminate duplicates Z: 6 8.030 1.903 0.139 0.703 1.000 0.800 CA 1.377 8 residues pruned to eliminate duplicates Z: 6 8.356 1.939 0.645 0.696 0.800 0.600 CA 1.225 6 residues pruned to eliminate duplicates Z: 6 4.382 1.803 0.581 0.286 0.800 0.600 CB 1.093 6 residues pruned to eliminate duplicates Z: 11 9.781 1.890 0.455 0.480 0.800 0.600 CA 1.434 14 residues pruned to eliminate duplicates Z: 6 4.156 1.595 0.613 0.356 0.800 0.400 CA 1.056 6 residues pruned to eliminate duplicates Z: 6 2.176 1.206 0.219 0.361 1.000 0.400 N 0.769 Z: 6 7.233 1.783 0.562 0.481 1.000 0.800 CB 1.184 6 residues pruned to eliminate duplicates Z: 14 24.230 2.046 0.917 0.694 0.923 0.846 CB 1.555 16 residues pruned to eliminate duplicates Z: 12 19.258 1.979 0.622 0.659 1.000 0.818 CB 1.561 12 residues pruned to eliminate duplicates Z: 14 25.100 2.134 0.691 0.747 1.000 0.692 CB 1.547 13 residues pruned to eliminate duplicates Z: 11 14.047 1.804 0.603 0.787 0.900 0.600 CA 1.326 11 residues pruned to eliminate duplicates Z: 13 19.224 2.061 0.835 0.632 0.833 0.417 CB 1.556 13 residues pruned to eliminate duplicates Z: 14 18.819 2.034 0.820 0.656 0.846 0.769 CB 1.442 14 residues pruned to eliminate duplicates Z: 14 18.914 2.044 0.797 0.562 0.846 0.615 CA 1.589 14 residues pruned to eliminate duplicates Z: 16 16.742 1.899 0.696 0.611 0.867 0.667 CB 1.393 16 residues pruned to eliminate duplicates Z: 14 21.165 2.043 0.518 0.641 1.000 0.538 CA 1.659 14 residues pruned to eliminate duplicates Z: 14 15.893 2.022 0.230 0.730 0.923 0.538 CB 1.560 14 residues pruned to eliminate duplicates Z: 12 5.902 1.812 0.337 0.325 0.818 0.455 CB 1.088 12 residues pruned to eliminate duplicates Z: 8 4.481 1.822 0.418 0.071 0.857 0.429 CB 1.338 8 residues pruned to eliminate duplicates Z: 13 7.306 1.823 0.469 0.373 0.750 0.583 CB 1.202 13 residues pruned to eliminate duplicates Z: 18 10.617 1.821 0.394 0.430 0.882 0.471 CA 1.236 16 residues pruned to eliminate duplicates Z: 6 2.716 1.282 -0.012 0.454 1.000 0.600 C 1.004 Z: 7 5.821 1.771 0.142 0.477 1.000 0.333 CA 1.203 6 residues pruned to eliminate duplicates Z: 7 5.286 1.689 0.285 0.551 0.833 0.000 CA 1.135 7 residues pruned to eliminate duplicates Z: 11 10.160 1.879 0.572 0.496 0.800 0.600 CB 1.366 11 residues pruned to eliminate duplicates Z: 18 8.424 1.855 0.388 0.386 0.765 0.353 CA 1.171 18 residues pruned to eliminate duplicates Z: 11 6.919 1.819 0.374 0.432 0.900 0.500 CB 1.045 11 residues pruned to eliminate duplicates Z: 11 8.696 1.724 0.414 0.471 0.900 0.500 CA 1.290 13 residues pruned to eliminate duplicates Z: 9 8.252 1.715 0.306 0.689 1.000 0.750 CA 1.095 9 residues pruned to eliminate duplicates Z: 7 4.566 1.830 0.445 0.325 0.833 0.667 CA 1.025 7 residues pruned to eliminate duplicates Z: 9 7.511 1.952 0.353 0.456 0.875 0.500 CA 1.202 9 residues pruned to eliminate duplicates Z: 10 6.326 1.809 0.606 0.358 0.778 0.444 CA 1.088 12 residues pruned to eliminate duplicates Z: 10 7.737 1.783 0.138 0.537 1.000 0.667 CA 1.226 10 residues pruned to eliminate duplicates Z: 9 5.753 1.771 0.307 0.381 0.875 0.250 CA 1.140 9 residues pruned to eliminate duplicates Z: 12 5.298 1.658 0.481 0.232 0.636 0.091 CB 1.396 11 residues pruned to eliminate duplicates Z: 6 3.561 1.708 0.734 0.305 0.800 0.600 CB 0.835 6 residues pruned to eliminate duplicates Z: 15 18.468 2.029 0.637 0.551 0.929 0.714 CA 1.522 15 residues pruned to eliminate duplicates Z: 15 19.838 2.064 0.652 0.584 1.000 0.643 CB 1.435 15 residues pruned to eliminate duplicates Z: 6 6.739 1.931 0.299 0.291 1.000 0.800 CB 1.520 6 residues pruned to eliminate duplicates Z: 11 19.202 2.072 0.781 0.568 1.000 0.700 CB 1.541 11 residues pruned to eliminate duplicates Z: 16 19.287 2.036 0.591 0.579 1.000 0.800 CB 1.424 15 residues pruned to eliminate duplicates Z: 6 4.611 1.393 0.711 0.360 1.000 0.400 CA 1.007 Z: 7 2.768 1.363 0.672 0.227 0.667 0.333 CA 1.022 7 residues pruned to eliminate duplicates Z: 14 5.992 1.733 0.617 0.201 0.769 0.462 CB 1.100 14 residues pruned to eliminate duplicates Z: 24 8.262 1.710 0.478 0.282 0.696 0.304 CB 1.253 11 residues pruned to eliminate duplicates Z: 6 3.371 1.651 0.991 0.219 0.600 0.200 CB 1.063 6 residues pruned to eliminate duplicates Z: 23 9.103 1.865 0.510 0.408 0.682 0.409 CB 1.114 23 residues pruned to eliminate duplicates Z: 9 10.706 1.965 0.697 0.507 0.875 0.375 CB 1.288 11 residues pruned to eliminate duplicates Z: 15 11.279 2.077 0.507 0.342 0.786 0.357 CB 1.456 15 residues pruned to eliminate duplicates Z: 17 9.517 2.011 0.537 0.318 0.750 0.312 CB 1.254 19 residues pruned to eliminate duplicates Z: 18 11.342 2.101 0.613 0.302 0.765 0.294 CB 1.324 16 residues pruned to eliminate duplicates Z: 6 3.678 1.530 0.706 0.249 0.800 0.200 N 1.052 Z: 43 25.221 2.024 0.556 0.604 0.929 0.595 CA 1.205 49 residues pruned to eliminate duplicates Z: 51 28.285 2.012 0.515 0.596 0.900 0.500 CA 1.330 51 residues pruned to eliminate duplicates Z: 29 21.425 2.080 0.460 0.657 0.929 0.643 CA 1.241 29 residues pruned to eliminate duplicates Z: 16 5.491 1.794 0.330 0.250 0.733 0.200 CB 1.081 16 residues pruned to eliminate duplicates Z: 14 8.895 2.025 -0.040 0.585 1.000 0.615 CA 1.169 14 residues pruned to eliminate duplicates Z: 46 25.969 2.038 0.502 0.621 0.889 0.511 CA 1.269 46 residues pruned to eliminate duplicates Z: 33 24.083 2.007 0.606 0.656 0.906 0.625 CA 1.261 35 residues pruned to eliminate duplicates Z: 21 25.572 2.172 0.624 0.831 1.000 0.550 CA 1.218 21 residues pruned to eliminate duplicates Z: 49 34.323 2.009 0.671 0.645 0.979 0.562 CB 1.316 49 residues pruned to eliminate duplicates Z: 21 27.257 2.162 0.678 0.868 1.000 0.600 CA 1.228 21 residues pruned to eliminate duplicates Z: 35 36.333 2.155 0.761 0.780 0.971 0.647 CA 1.322 35 residues pruned to eliminate duplicates Z: 29 23.309 1.975 0.548 0.727 0.964 0.750 CA 1.218 29 residues pruned to eliminate duplicates Z: 29 23.468 2.049 0.579 0.676 0.929 0.643 CA 1.255 29 residues pruned to eliminate duplicates Z: 42 26.843 2.010 0.628 0.587 0.951 0.659 CA 1.239 42 residues pruned to eliminate duplicates Z: 29 24.319 2.029 0.641 0.701 0.929 0.643 CA 1.238 29 residues pruned to eliminate duplicates Z: 46 30.530 2.087 0.555 0.615 0.911 0.622 CA 1.380 46 residues pruned to eliminate duplicates Z: 47 27.879 1.954 0.630 0.591 0.978 0.609 CA 1.210 47 residues pruned to eliminate duplicates Z: 33 22.929 2.041 0.635 0.678 0.906 0.656 CA 1.138 33 residues pruned to eliminate duplicates Z: 18 15.340 2.063 0.561 0.720 0.941 0.824 CA 1.006 18 residues pruned to eliminate duplicates Z: 47 25.749 2.043 0.536 0.589 0.913 0.500 CA 1.217 47 residues pruned to eliminate duplicates Z: 43 25.273 1.954 0.656 0.549 0.952 0.619 CA 1.207 43 residues pruned to eliminate duplicates Z: 54 27.055 2.007 0.507 0.572 0.906 0.585 CA 1.265 54 residues pruned to eliminate duplicates Z: 33 29.984 2.108 0.762 0.700 1.000 0.594 CA 1.189 33 residues pruned to eliminate duplicates Z: 48 37.197 2.123 0.643 0.690 0.936 0.617 CA 1.396 57 residues pruned to eliminate duplicates Z: 21 16.865 1.921 0.751 0.754 0.750 0.450 CA 1.192 21 residues pruned to eliminate duplicates Z: 42 28.526 2.099 0.618 0.641 0.902 0.512 CA 1.274 42 residues pruned to eliminate duplicates Z: 16 21.818 2.068 0.684 0.747 1.000 0.867 CA 1.298 16 residues pruned to eliminate duplicates Z: 47 26.917 2.028 0.591 0.607 0.891 0.500 CA 1.247 47 residues pruned to eliminate duplicates Z: 41 30.559 2.017 0.674 0.711 0.900 0.600 CA 1.313 41 residues pruned to eliminate duplicates Z: 46 29.155 2.062 0.613 0.641 0.911 0.689 CA 1.257 37 residues pruned to eliminate duplicates Z: 12 22.219 2.129 0.566 0.860 1.000 0.818 CA 1.478 12 residues pruned to eliminate duplicates Z: 45 30.020 2.042 0.686 0.627 0.886 0.591 CA 1.316 45 residues pruned to eliminate duplicates Z: 13 22.213 2.127 0.517 0.859 1.000 0.667 CB 1.462 13 residues pruned to eliminate duplicates Z: 48 31.064 2.068 0.731 0.629 0.851 0.447 CA 1.318 48 residues pruned to eliminate duplicates Z: 24 19.749 2.071 0.646 0.596 0.826 0.435 CB 1.335 24 residues pruned to eliminate duplicates Z: 48 27.250 2.011 0.524 0.596 0.894 0.532 CA 1.324 48 residues pruned to eliminate duplicates Z: 13 21.394 2.089 0.773 0.776 0.917 0.083 CA 1.426 13 residues pruned to eliminate duplicates Z: 24 22.168 2.133 0.583 0.593 0.870 0.435 CB 1.440 24 residues pruned to eliminate duplicates Z: 43 26.158 2.081 0.684 0.614 0.810 0.429 CA 1.278 43 residues pruned to eliminate duplicates Z: 15 10.313 1.937 0.484 0.496 0.714 0.429 CB 1.348 15 residues pruned to eliminate duplicates Z: 22 15.972 2.060 0.500 0.482 0.857 0.524 CA 1.339 22 residues pruned to eliminate duplicates Z: 56 32.316 2.057 0.629 0.614 0.855 0.418 CA 1.365 56 residues pruned to eliminate duplicates Z: 8 7.839 2.054 0.321 0.668 0.857 0.286 CB 1.091 10 residues pruned to eliminate duplicates Z: 11 15.398 1.769 0.587 0.881 1.000 0.900 CA 1.256 10 residues pruned to eliminate duplicates Z: 9 17.026 1.964 0.600 0.837 1.000 0.625 CB 1.433 9 residues pruned to eliminate duplicates Z: 11 15.713 1.755 0.515 0.897 1.000 0.900 CA 1.338 11 residues pruned to eliminate duplicates Z: 10 18.849 1.926 0.753 0.866 1.000 0.667 CA 1.363 10 residues pruned to eliminate duplicates Z: 11 17.490 1.788 0.703 0.854 1.000 0.400 CA 1.342 11 residues pruned to eliminate duplicates Z: 10 16.591 2.064 0.669 0.782 0.889 0.556 CA 1.408 10 residues pruned to eliminate duplicates Z: 27 23.225 2.182 0.173 0.633 1.000 0.654 CA 1.571 27 residues pruned to eliminate duplicates Z: 30 26.600 2.194 0.376 0.671 0.966 0.690 CA 1.448 30 residues pruned to eliminate duplicates Z: 31 29.421 2.197 0.361 0.677 0.967 0.700 CA 1.579 31 residues pruned to eliminate duplicates Z: 30 29.298 2.221 0.365 0.687 0.966 0.690 CA 1.565 30 residues pruned to eliminate duplicates Z: 18 25.181 2.243 0.523 0.495 1.000 0.765 CA 1.796 18 residues pruned to eliminate duplicates Z: 31 28.496 2.205 0.326 0.638 0.967 0.733 CA 1.618 31 residues pruned to eliminate duplicates Z: 31 32.442 2.201 0.398 0.698 0.967 0.667 CA 1.663 31 residues pruned to eliminate duplicates Z: 28 27.774 2.246 0.432 0.606 0.963 0.667 CB 1.559 28 residues pruned to eliminate duplicates Z: 30 29.362 2.203 0.392 0.703 0.966 0.690 CA 1.531 30 residues pruned to eliminate duplicates Z: 31 32.028 2.192 0.486 0.682 0.933 0.800 CA 1.627 31 residues pruned to eliminate duplicates Z: 38 25.116 2.037 0.577 0.551 0.865 0.622 CB 1.414 38 residues pruned to eliminate duplicates Z: 31 27.533 2.204 0.303 0.673 0.967 0.700 CA 1.544 31 residues pruned to eliminate duplicates Z: 31 33.969 2.210 0.508 0.677 0.933 0.733 CA 1.694 31 residues pruned to eliminate duplicates Z: 29 37.241 2.264 0.576 0.675 1.000 0.679 CA 1.680 30 residues pruned to eliminate duplicates Z: 22 30.098 2.152 0.541 0.892 1.000 0.667 CB 1.423 22 residues pruned to eliminate duplicates Z: 26 34.526 2.271 0.531 0.688 1.000 0.720 CB 1.673 26 residues pruned to eliminate duplicates Z: 29 34.735 2.251 0.570 0.679 1.000 0.607 CA 1.575 30 residues pruned to eliminate duplicates Z: 22 29.789 2.194 0.523 0.863 0.952 0.571 CB 1.498 22 residues pruned to eliminate duplicates Z: 30 32.413 2.240 0.611 0.646 0.897 0.448 CB 1.624 30 residues pruned to eliminate duplicates Z: 30 35.781 2.217 0.687 0.692 0.897 0.414 CA 1.662 30 residues pruned to eliminate duplicates Z: 15 19.210 2.130 0.656 0.780 0.786 0.429 CA 1.447 15 residues pruned to eliminate duplicates Z: 30 38.037 2.175 0.824 0.684 0.966 0.379 CB 1.557 30 residues pruned to eliminate duplicates Z: 29 40.058 2.241 0.757 0.684 1.000 0.536 CB 1.625 29 residues pruned to eliminate duplicates Z: 14 21.909 2.130 0.783 0.796 0.846 0.308 CA 1.460 14 residues pruned to eliminate duplicates Z: 36 35.587 2.159 0.650 0.605 0.943 0.457 CA 1.620 31 residues pruned to eliminate duplicates Z: 14 26.463 2.095 0.836 0.784 1.000 0.538 CB 1.486 13 residues pruned to eliminate duplicates Z: 23 37.179 2.180 0.823 0.886 1.000 0.591 CB 1.439 23 residues pruned to eliminate duplicates Z: 6 6.289 1.902 0.303 0.461 1.000 0.800 CA 1.181 6 residues pruned to eliminate duplicates Z: 21 14.265 2.024 0.351 0.337 0.850 0.400 CA 1.640 21 residues pruned to eliminate duplicates Z: 6 4.124 1.670 0.327 0.281 0.800 0.600 CA 1.332 6 residues pruned to eliminate duplicates Z: 22 13.416 1.909 0.391 0.325 0.857 0.524 CA 1.558 22 residues pruned to eliminate duplicates Z: 7 5.505 1.548 0.218 0.484 1.000 0.167 C 1.212 7 residues pruned to eliminate duplicates Z: 19 10.812 1.973 0.239 0.310 0.889 0.333 CB 1.447 19 residues pruned to eliminate duplicates Z: 21 12.513 1.994 0.258 0.320 0.900 0.550 N 1.511 21 residues pruned to eliminate duplicates Z: 6 4.031 1.619 0.757 0.361 0.600 0.000 C 1.228 6 residues pruned to eliminate duplicates Z: 12 5.436 1.781 0.321 0.176 0.818 0.182 CB 1.259 12 residues pruned to eliminate duplicates Z: 9 8.762 1.825 0.203 0.431 1.000 0.375 N 1.515 9 residues pruned to eliminate duplicates Z: 6 5.713 1.804 0.357 0.382 0.800 0.600 CA 1.479 6 residues pruned to eliminate duplicates Z: 9 8.051 2.038 0.157 0.475 0.750 0.375 N 1.650 9 residues pruned to eliminate duplicates Z: 10 6.431 1.911 0.136 0.407 0.778 0.556 N 1.400 10 residues pruned to eliminate duplicates 6 1.891 1.383 0.087 0.268 0.800 0.200 CA 0.916 ? Z: 10 6.005 1.679 0.178 0.499 0.778 0.444 N 1.302 10 residues pruned to eliminate duplicates Z: 6 5.263 1.583 0.555 0.579 0.800 0.400 N 1.108 6 residues pruned to eliminate duplicates Z: 18 11.340 1.815 0.550 0.516 0.706 0.471 CB 1.364 18 residues pruned to eliminate duplicates Z: 19 9.635 1.771 0.448 0.484 0.722 0.444 CB 1.246 19 residues pruned to eliminate duplicates Z: 14 10.620 1.836 0.338 0.634 0.846 0.615 CB 1.249 14 residues pruned to eliminate duplicates Z: 17 12.264 1.854 0.415 0.573 0.812 0.438 CB 1.340 17 residues pruned to eliminate duplicates Z: 19 12.101 1.763 0.619 0.472 0.833 0.333 CB 1.234 21 residues pruned to eliminate duplicates Z: 8 8.947 1.902 0.381 0.547 0.857 0.571 CB 1.435 8 residues pruned to eliminate duplicates Z: 6 10.505 1.968 0.828 0.659 1.000 0.600 CB 1.126 6 residues pruned to eliminate duplicates Z: 7 6.558 1.684 0.744 0.718 0.833 0.333 CB 0.898 7 residues pruned to eliminate duplicates Z: 7 8.705 1.931 0.485 0.601 1.000 0.500 CB 1.126 7 residues pruned to eliminate duplicates Z: 9 10.481 1.819 0.679 0.560 0.875 0.500 CB 1.308 8 residues pruned to eliminate duplicates Z: 8 5.216 1.946 0.226 0.291 1.000 0.429 CB 1.045 5 residues pruned to eliminate duplicates Z: 7 4.218 1.662 -0.084 0.424 1.000 0.333 CB 1.224 7 residues pruned to eliminate duplicates Z: 10 3.797 1.966 0.211 0.186 0.556 0.333 N 1.394 Z: 6 2.058 1.652 0.053 0.350 0.800 0.600 CA 0.779 6 residues pruned to eliminate duplicates Z: 17 11.502 2.010 0.743 0.422 0.688 0.500 CB 1.296 17 residues pruned to eliminate duplicates Z: 23 9.263 1.961 0.355 0.404 0.727 0.500 CB 1.131 23 residues pruned to eliminate duplicates Z: 30 14.001 1.991 0.537 0.330 0.759 0.483 CB 1.350 30 residues pruned to eliminate duplicates Z: 21 14.330 2.082 0.607 0.417 0.700 0.650 CB 1.492 35 residues pruned to eliminate duplicates Z: 6 2.596 1.417 0.554 0.360 0.800 0.400 CB 0.766 6 residues pruned to eliminate duplicates Z: 19 12.403 1.925 0.609 0.316 0.833 0.500 CB 1.387 19 residues pruned to eliminate duplicates Z: 13 7.939 1.865 0.621 0.331 0.667 0.583 CB 1.368 13 residues pruned to eliminate duplicates Z: 23 12.474 1.874 0.507 0.266 0.818 0.500 CB 1.503 23 residues pruned to eliminate duplicates Z: 20 11.312 1.908 0.584 0.298 0.789 0.526 CB 1.363 20 residues pruned to eliminate duplicates Z: 18 11.165 1.864 0.663 0.314 0.765 0.353 CB 1.403 18 residues pruned to eliminate duplicates Z: 8 9.927 1.972 0.324 0.516 1.000 0.714 CA 1.415 8 residues pruned to eliminate duplicates Z: 8 11.637 1.976 0.566 0.477 1.000 0.857 CB 1.455 8 residues pruned to eliminate duplicates Z: 26 7.010 1.764 0.374 0.213 0.640 0.360 CB 1.268 26 residues pruned to eliminate duplicates Z: 19 16.193 2.021 0.511 0.447 0.889 0.667 CA 1.485 19 residues pruned to eliminate duplicates Z: 21 13.127 1.960 0.283 0.397 0.900 0.600 CB 1.446 21 residues pruned to eliminate duplicates Z: 13 10.651 2.008 0.449 0.345 0.833 0.833 CA 1.501 13 residues pruned to eliminate duplicates Z: 8 4.563 1.890 0.341 0.171 0.857 0.571 CA 1.184 8 residues pruned to eliminate duplicates Z: 8 3.784 1.912 0.023 0.169 0.857 0.714 CB 1.275 8 residues pruned to eliminate duplicates Z: 14 6.210 1.832 0.323 0.270 0.846 0.615 CA 1.091 14 residues pruned to eliminate duplicates Z: 13 7.684 2.085 -0.004 0.405 0.833 0.667 CA 1.416 7 residues pruned to eliminate duplicates Z: 6 4.096 1.864 0.330 0.396 0.600 0.400 CA 1.374 6 residues pruned to eliminate duplicates Z: 19 8.422 1.888 0.310 0.269 0.667 0.444 CA 1.566 34 residues pruned to eliminate duplicates Z: 14 7.719 1.920 0.290 0.376 0.769 0.692 CA 1.283 537 residues left after pruning, divided into chains as follows: A: 8 B: 6 C: 10 D: 12 E: 6 F: 10 G: 15 H: 118 I: 59 J: 11 K: 16 L: 18 M: 9 N: 16 O: 26 P: 56 Q: 30 R: 21 S: 7 T: 18 U: 10 V: 8 W: 47 CC for partial structure against native data = 18.60 % ------------------------------------------------------------------------------ Global autotracing cycle 9 = 0.300, Contrast = 0.410, Connect. = 0.678 for dens.mod. cycle 1 = 0.300, Contrast = 0.475, Connect. = 0.704 for dens.mod. cycle 2 = 0.300, Contrast = 0.548, Connect. = 0.738 for dens.mod. cycle 3 = 0.300, Contrast = 0.556, Connect. = 0.743 for dens.mod. cycle 4 = 0.300, Contrast = 0.564, Connect. = 0.748 for dens.mod. cycle 5 = 0.300, Contrast = 0.569, Connect. = 0.752 for dens.mod. cycle 6 = 0.300, Contrast = 0.574, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.576, Connect. = 0.757 for dens.mod. cycle 8 = 0.300, Contrast = 0.578, Connect. = 0.759 for dens.mod. cycle 9 = 0.300, Contrast = 0.579, Connect. = 0.760 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6791 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1186 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 24.128 2.053 0.392 0.904 1.000 0.700 CB 1.344 B: 15 18.879 1.967 0.567 0.658 0.929 0.857 N 1.523 C: 19 24.275 1.981 0.388 0.859 0.944 0.833 CB 1.622 D: 15 11.627 1.865 0.450 0.478 0.929 0.500 CB 1.265 E: 20 32.451 1.987 0.846 0.831 0.947 0.632 CB 1.610 19 residues pruned to eliminate duplicates F: 21 32.363 2.288 0.389 0.927 0.950 0.950 CB 1.680 G: 30 26.772 2.134 0.412 0.663 0.966 0.621 CA 1.469 21 residues pruned to eliminate duplicates H: 22 13.341 2.048 0.409 0.407 0.714 0.524 CB 1.557 I: 12 16.212 2.142 0.807 0.374 0.909 0.364 CA 1.590 J: 12 13.756 2.203 0.529 0.810 0.636 0.545 CB 1.477 12 residues pruned to eliminate duplicates K: 22 34.630 2.202 0.476 0.903 1.000 0.857 CB 1.657 21 residues pruned to eliminate duplicates L: 16 17.369 2.059 0.427 0.574 1.000 0.733 CB 1.422 14 residues pruned to eliminate duplicates M: 14 18.336 2.076 0.452 0.800 0.923 0.692 CB 1.405 N: 25 19.794 2.054 0.618 0.424 0.917 0.417 CB 1.436 12 residues pruned to eliminate duplicates O: 22 31.585 2.193 0.496 0.864 1.000 0.667 CB 1.540 22 residues pruned to eliminate duplicates P: 16 23.682 2.318 0.366 0.900 0.867 0.600 CB 1.592 16 residues pruned to eliminate duplicates Q: 9 12.222 2.171 0.318 0.541 0.875 0.625 CA 1.658 R: 17 14.415 2.213 0.477 0.566 0.750 0.438 CB 1.379 17 residues pruned to eliminate duplicates S: 22 28.803 2.145 0.446 0.895 1.000 0.905 CB 1.453 22 residues pruned to eliminate duplicates T: 21 34.414 2.315 0.486 0.886 0.950 0.500 CB 1.699 22 residues pruned to eliminate duplicates U: 17 21.122 1.980 0.894 0.670 0.875 0.750 CB 1.376 V: 8 6.711 1.659 0.650 0.462 0.714 0.429 CA 1.348 W: 11 17.052 2.104 0.465 0.658 1.000 0.700 CA 1.511 X: 20 26.438 2.163 0.686 0.877 0.947 0.526 CB 1.274 20 residues pruned to eliminate duplicates Y: 13 11.842 2.038 0.457 0.476 0.750 0.667 CA 1.573 Z: 7 8.578 2.084 0.240 0.763 1.000 0.667 CA 1.074 8 residues pruned to eliminate duplicates Z: 20 41.324 2.316 0.769 0.907 1.000 0.632 CB 1.644 24 residues pruned to eliminate duplicates Z: 17 32.465 2.263 0.619 0.901 1.000 0.875 CA 1.582 17 residues pruned to eliminate duplicates Z: 14 16.417 1.946 0.645 0.618 0.923 0.615 CB 1.378 14 residues pruned to eliminate duplicates Z: 52 38.356 2.183 0.563 0.596 0.882 0.529 CB 1.627 52 residues pruned to eliminate duplicates Z: 17 29.007 2.123 0.518 0.892 1.000 0.688 CA 1.617 17 residues pruned to eliminate duplicates Z: 18 25.620 2.127 0.751 0.892 1.000 0.824 CA 1.199 Z: 22 27.086 2.098 0.334 0.901 1.000 0.762 CB 1.508 22 residues pruned to eliminate duplicates Z: 15 26.671 2.309 0.769 0.899 0.929 0.429 CB 1.343 15 residues pruned to eliminate duplicates Z: 11 12.061 2.228 0.566 0.275 0.900 0.400 CA 1.566 11 residues pruned to eliminate duplicates Z: 23 28.597 2.104 0.558 0.848 1.000 0.727 CA 1.380 22 residues pruned to eliminate duplicates Z: 21 15.336 2.026 0.571 0.300 0.850 0.450 CB 1.585 Z: 13 8.649 1.765 0.339 0.498 0.833 0.583 CA 1.270 9 residues pruned to eliminate duplicates Z: 22 31.731 2.154 0.427 0.915 0.952 0.857 CA 1.671 19 residues pruned to eliminate duplicates Z: 30 16.483 2.018 0.637 0.303 0.828 0.448 CA 1.393 13 residues pruned to eliminate duplicates Z: 23 23.443 2.096 0.701 0.839 0.864 0.500 CB 1.212 23 residues pruned to eliminate duplicates Z: 8 6.180 1.930 0.479 0.417 0.714 0.429 CA 1.250 8 residues pruned to eliminate duplicates Z: 18 32.639 2.374 0.496 0.911 0.882 0.529 CB 1.791 18 residues pruned to eliminate duplicates Z: 16 16.778 2.180 0.327 0.815 0.733 0.667 CB 1.552 16 residues pruned to eliminate duplicates Z: 45 38.428 2.148 0.517 0.655 0.955 0.682 CA 1.612 40 residues pruned to eliminate duplicates Z: 10 17.141 2.284 0.435 0.809 0.889 0.778 CB 1.499 10 residues pruned to eliminate duplicates Z: 19 19.260 2.051 0.627 0.908 0.889 0.722 CA 1.087 19 residues pruned to eliminate duplicates Z: 20 41.626 2.205 0.806 0.922 1.000 0.895 CB 1.685 20 residues pruned to eliminate duplicates Z: 53 43.207 2.156 0.704 0.597 0.923 0.712 CA 1.610 58 residues pruned to eliminate duplicates Z: 13 7.274 1.768 0.393 0.419 0.667 0.500 O 1.391 Z: 16 37.115 2.204 0.849 0.930 1.000 0.667 CA 1.644 16 residues pruned to eliminate duplicates Z: 13 9.332 1.882 0.582 0.372 0.833 0.417 CA 1.245 Z: 20 30.887 2.238 0.504 0.877 0.947 0.737 CB 1.613 20 residues pruned to eliminate duplicates Z: 10 13.503 1.947 0.531 0.826 0.889 0.667 CA 1.281 11 residues pruned to eliminate duplicates Z: 9 7.141 1.887 0.650 0.376 0.625 0.500 CA 1.480 9 residues pruned to eliminate duplicates Z: 9 8.431 1.787 0.788 0.536 0.875 0.500 CB 1.029 Z: 9 8.948 1.736 0.493 0.490 0.875 0.875 N 1.410 Z: 20 36.716 2.217 0.941 0.914 1.000 0.421 CB 1.384 20 residues pruned to eliminate duplicates Z: 18 26.275 2.132 0.830 0.927 0.941 0.588 CA 1.217 18 residues pruned to eliminate duplicates Z: 14 20.977 1.995 0.562 0.876 1.000 0.846 CB 1.357 14 residues pruned to eliminate duplicates Z: 22 42.623 2.242 0.743 0.908 1.000 0.905 CB 1.691 22 residues pruned to eliminate duplicates Z: 7 7.924 1.541 0.302 0.797 1.000 0.833 N 1.244 7 residues pruned to eliminate duplicates Z: 23 35.778 2.149 0.620 0.906 0.909 0.682 CA 1.714 23 residues pruned to eliminate duplicates Z: 6 6.750 1.601 0.862 0.491 0.800 0.600 C 1.277 Z: 18 30.553 2.124 0.461 0.917 1.000 0.647 CB 1.684 18 residues pruned to eliminate duplicates Z: 23 30.239 2.067 0.640 0.862 0.909 0.500 CB 1.537 23 residues pruned to eliminate duplicates Z: 15 16.858 2.027 0.576 0.532 0.857 0.714 CB 1.594 16 residues pruned to eliminate duplicates Z: 25 23.636 2.221 0.735 0.420 0.875 0.583 CB 1.556 14 residues pruned to eliminate duplicates Z: 10 8.997 1.856 0.530 0.363 1.000 0.444 CB 1.223 10 residues pruned to eliminate duplicates Z: 13 21.379 2.100 0.496 0.846 1.000 0.583 CA 1.459 13 residues pruned to eliminate duplicates Z: 24 37.528 2.045 0.667 0.919 1.000 0.565 CB 1.618 22 residues pruned to eliminate duplicates Z: 19 18.288 1.868 0.698 0.579 0.944 0.444 CB 1.333 20 residues pruned to eliminate duplicates Z: 11 17.830 2.243 0.305 0.823 1.000 0.900 CB 1.455 11 residues pruned to eliminate duplicates Z: 9 8.464 1.849 0.271 0.555 0.875 0.500 CA 1.379 Z: 11 9.265 2.081 0.503 0.368 0.800 0.500 CA 1.350 Z: 21 19.658 2.030 0.591 0.840 0.900 0.650 CA 1.128 21 residues pruned to eliminate duplicates Z: 10 8.908 1.792 0.858 0.453 0.889 0.667 CB 1.053 10 residues pruned to eliminate duplicates Z: 19 24.355 2.170 0.873 0.458 0.944 0.667 CA 1.561 19 residues pruned to eliminate duplicates Z: 15 31.657 2.295 0.805 0.920 1.000 0.714 CB 1.438 15 residues pruned to eliminate duplicates Z: 7 6.107 1.635 -0.009 0.792 0.833 0.833 CA 1.429 Z: 8 4.770 1.910 0.417 0.441 0.714 0.571 CB 0.991 Z: 13 11.344 1.826 0.272 0.532 0.917 0.667 N 1.490 Z: 13 10.902 1.841 0.265 0.566 0.833 0.667 CA 1.522 13 residues pruned to eliminate duplicates Z: 13 9.173 1.949 0.343 0.410 0.750 0.417 CA 1.482 12 residues pruned to eliminate duplicates Z: 17 40.142 2.198 0.925 0.931 1.000 0.562 CB 1.657 17 residues pruned to eliminate duplicates Z: 22 23.068 2.065 0.359 0.800 0.952 0.762 CB 1.449 22 residues pruned to eliminate duplicates Z: 10 17.371 1.947 0.549 0.877 1.000 0.778 CB 1.395 10 residues pruned to eliminate duplicates Z: 13 9.588 1.882 0.111 0.538 1.000 0.833 CB 1.276 13 residues pruned to eliminate duplicates Z: 15 7.916 1.778 0.261 0.371 0.786 0.571 CA 1.380 15 residues pruned to eliminate duplicates Z: 18 12.655 2.002 0.425 0.433 0.824 0.588 CB 1.399 13 residues pruned to eliminate duplicates Z: 11 8.688 1.787 0.355 0.482 1.000 0.600 CA 1.155 Z: 7 6.386 1.697 -0.112 0.861 1.000 1.000 CA 1.271 Z: 18 36.133 2.146 0.773 0.937 1.000 0.824 CB 1.602 18 residues pruned to eliminate duplicates Z: 23 11.003 1.804 0.359 0.338 0.818 0.318 CB 1.396 23 residues pruned to eliminate duplicates Z: 13 7.904 1.884 0.240 0.297 0.833 0.583 CA 1.472 13 residues pruned to eliminate duplicates Z: 6 3.787 1.915 -0.085 0.708 0.800 0.600 CB 1.000 Z: 9 6.157 1.756 0.659 0.485 1.000 0.750 CB 0.759 Z: 22 33.666 2.096 0.571 0.884 1.000 0.810 CA 1.612 22 residues pruned to eliminate duplicates Z: 18 11.518 1.946 0.287 0.366 0.882 0.588 CB 1.461 18 residues pruned to eliminate duplicates Z: 12 13.028 2.199 0.202 0.566 0.909 0.818 CB 1.533 12 residues pruned to eliminate duplicates Z: 8 7.427 1.860 0.322 0.396 0.857 0.714 CA 1.487 Z: 12 14.341 2.231 0.568 0.271 1.000 0.545 CA 1.603 12 residues pruned to eliminate duplicates Z: 18 22.655 2.193 0.192 0.913 1.000 0.765 CB 1.488 18 residues pruned to eliminate duplicates Z: 12 22.136 2.044 0.693 0.906 1.000 0.636 CB 1.371 12 residues pruned to eliminate duplicates Z: 11 12.445 1.906 0.416 0.671 0.900 0.700 CB 1.384 10 residues pruned to eliminate duplicates Z: 22 32.895 2.163 0.490 0.901 1.000 0.857 CB 1.590 22 residues pruned to eliminate duplicates Z: 11 14.298 2.018 0.635 0.528 0.900 0.700 CB 1.481 12 residues pruned to eliminate duplicates Z: 10 10.779 1.899 0.521 0.540 0.778 0.667 CB 1.538 10 residues pruned to eliminate duplicates Z: 11 5.436 1.721 0.122 0.396 0.800 0.400 CA 1.242 10 residues pruned to eliminate duplicates Z: 20 23.983 2.100 0.553 0.893 1.000 0.526 CA 1.211 20 residues pruned to eliminate duplicates Z: 19 18.949 1.968 0.464 0.877 1.000 0.944 CA 1.126 17 residues pruned to eliminate duplicates Z: 12 8.201 1.772 0.248 0.346 1.000 0.273 CB 1.322 9 residues pruned to eliminate duplicates Z: 18 15.179 2.018 0.639 0.390 0.824 0.471 CA 1.518 18 residues pruned to eliminate duplicates Z: 19 18.283 1.856 0.812 0.838 0.889 0.722 CA 1.078 19 residues pruned to eliminate duplicates Z: 13 21.911 2.222 0.273 0.903 1.000 0.833 CA 1.593 13 residues pruned to eliminate duplicates Z: 7 8.268 1.943 1.069 0.607 0.667 0.667 CB 1.137 6 residues pruned to eliminate duplicates Z: 7 4.866 1.763 0.555 0.240 0.833 0.500 CB 1.176 7 residues pruned to eliminate duplicates Z: 22 28.659 2.048 0.435 0.884 1.000 0.810 CA 1.538 22 residues pruned to eliminate duplicates Z: 55 27.605 2.154 0.575 0.311 0.907 0.500 CA 1.505 37 residues pruned to eliminate duplicates Z: 13 9.315 1.936 0.281 0.811 0.833 0.500 CB 0.992 13 residues pruned to eliminate duplicates 6 1.686 1.396 0.754 0.296 0.600 0.600 CB 0.645 ? Z: 11 17.104 2.028 0.402 0.782 1.000 0.500 CB 1.483 11 residues pruned to eliminate duplicates Z: 26 22.569 2.192 0.652 0.414 0.880 0.560 CA 1.551 26 residues pruned to eliminate duplicates Z: 7 9.213 1.853 0.281 0.669 0.833 0.667 CB 1.627 2 residues pruned to eliminate duplicates Z: 19 23.176 2.115 0.730 0.919 0.944 0.722 CA 1.114 19 residues pruned to eliminate duplicates Z: 15 11.411 1.887 0.609 0.362 0.786 0.500 CB 1.483 13 residues pruned to eliminate duplicates Z: 12 5.045 1.612 0.628 0.375 0.818 0.455 CA 0.809 12 residues pruned to eliminate duplicates Z: 9 14.710 1.925 0.457 0.861 1.000 0.875 CB 1.362 7 residues pruned to eliminate duplicates Z: 10 15.362 1.925 0.338 0.867 1.000 0.778 CA 1.455 9 residues pruned to eliminate duplicates Z: 7 6.772 1.657 0.338 0.691 1.000 0.667 CA 1.047 7 residues pruned to eliminate duplicates Z: 17 22.388 2.122 0.862 0.898 0.875 0.812 CA 1.158 17 residues pruned to eliminate duplicates Z: 9 5.918 1.887 0.110 0.528 0.750 0.500 CA 1.296 9 residues pruned to eliminate duplicates Z: 9 8.652 1.941 0.306 0.581 0.875 0.500 CA 1.275 9 residues pruned to eliminate duplicates Z: 12 9.484 1.924 0.528 0.352 0.818 0.455 CB 1.396 Z: 33 31.660 2.150 0.622 0.644 0.906 0.344 CB 1.548 33 residues pruned to eliminate duplicates Z: 14 10.110 1.772 0.580 0.455 0.923 0.462 CB 1.135 Z: 8 10.809 1.803 0.651 0.582 0.857 0.714 N 1.479 8 residues pruned to eliminate duplicates Z: 26 20.025 2.230 0.584 0.367 0.880 0.520 CA 1.487 26 residues pruned to eliminate duplicates Z: 11 10.974 2.018 0.305 0.467 0.900 0.500 CB 1.514 11 residues pruned to eliminate duplicates Z: 19 10.304 1.757 0.624 0.410 0.833 0.667 CB 1.123 19 residues pruned to eliminate duplicates Z: 12 4.679 1.642 -0.209 0.460 0.909 0.455 CB 1.246 Z: 7 10.360 2.117 0.066 0.564 1.000 0.500 N 1.762 8 residues pruned to eliminate duplicates Z: 10 6.485 1.555 0.679 0.442 0.889 0.444 CB 0.989 9 residues pruned to eliminate duplicates Z: 21 24.947 2.188 0.409 0.881 0.950 0.700 CB 1.379 21 residues pruned to eliminate duplicates Z: 19 25.885 2.128 0.640 0.908 0.944 0.889 CB 1.314 19 residues pruned to eliminate duplicates Z: 24 19.915 2.162 0.609 0.316 0.870 0.348 CA 1.682 24 residues pruned to eliminate duplicates Z: 25 22.116 2.250 0.666 0.331 0.958 0.542 CA 1.513 25 residues pruned to eliminate duplicates Z: 11 9.784 1.661 0.429 0.866 1.000 0.700 CA 0.954 11 residues pruned to eliminate duplicates Z: 22 32.461 2.166 0.772 0.800 0.952 0.381 CB 1.491 22 residues pruned to eliminate duplicates Z: 22 37.192 2.138 0.717 0.897 0.905 0.619 CA 1.750 23 residues pruned to eliminate duplicates Z: 7 9.970 1.888 0.636 0.621 0.833 0.667 CA 1.412 Z: 7 6.479 1.909 -0.322 0.754 1.000 0.500 CB 1.630 Z: 13 11.042 2.036 0.359 0.718 0.833 0.417 CA 1.135 13 residues pruned to eliminate duplicates Z: 19 10.796 1.871 0.517 0.327 0.833 0.556 CB 1.302 18 residues pruned to eliminate duplicates Z: 13 16.097 2.049 0.132 0.845 1.000 0.750 CA 1.489 13 residues pruned to eliminate duplicates Z: 13 10.498 1.943 0.522 0.518 0.750 0.500 CB 1.342 13 residues pruned to eliminate duplicates Z: 12 18.516 2.180 0.682 0.584 0.818 0.545 CA 1.717 12 residues pruned to eliminate duplicates Z: 7 7.231 1.935 0.406 0.723 1.000 0.667 CB 0.887 Z: 31 14.691 2.040 0.387 0.351 0.733 0.433 CB 1.518 31 residues pruned to eliminate duplicates Z: 9 8.619 1.861 0.358 0.528 0.750 0.625 N 1.564 9 residues pruned to eliminate duplicates Z: 20 32.871 2.199 0.614 0.929 1.000 0.842 CA 1.487 27 residues pruned to eliminate duplicates Z: 25 19.544 2.253 0.511 0.338 0.875 0.500 CA 1.599 25 residues pruned to eliminate duplicates Z: 22 35.474 2.073 0.559 0.915 1.000 0.857 CB 1.692 22 residues pruned to eliminate duplicates Z: 24 19.960 2.068 0.705 0.370 0.913 0.609 CB 1.485 25 residues pruned to eliminate duplicates Z: 21 37.832 2.226 0.736 0.883 1.000 0.800 CA 1.583 21 residues pruned to eliminate duplicates Z: 20 17.013 2.313 0.551 0.286 0.895 0.474 CB 1.547 20 residues pruned to eliminate duplicates Z: 17 26.489 2.199 0.807 0.883 0.812 0.562 CB 1.483 17 residues pruned to eliminate duplicates Z: 8 10.365 1.987 0.551 0.484 1.000 1.000 CA 1.292 8 residues pruned to eliminate duplicates Z: 21 22.102 1.965 0.586 0.926 1.000 0.900 CA 1.112 20 residues pruned to eliminate duplicates Z: 6 12.700 2.183 0.396 0.605 1.000 1.000 CB 1.687 Z: 19 7.949 1.869 0.317 0.329 0.667 0.611 CB 1.377 18 residues pruned to eliminate duplicates Z: 7 11.875 2.187 0.058 0.876 1.000 0.833 CB 1.523 7 residues pruned to eliminate duplicates Z: 15 7.057 1.767 0.343 0.384 0.857 0.643 CB 1.049 15 residues pruned to eliminate duplicates Z: 8 7.203 1.773 0.116 0.572 0.857 0.429 O 1.497 8 residues pruned to eliminate duplicates Z: 6 9.475 1.989 -0.066 0.802 1.000 0.800 CB 1.752 6 residues pruned to eliminate duplicates Z: 8 8.011 1.952 0.514 0.568 0.857 0.571 CA 1.119 8 residues pruned to eliminate duplicates Z: 10 17.598 2.202 0.773 0.403 1.000 0.556 CA 1.665 10 residues pruned to eliminate duplicates Z: 8 4.659 1.548 0.279 0.346 0.857 0.429 CA 1.226 Z: 6 2.262 1.695 0.052 0.440 0.800 0.600 CB 0.754 Z: 60 29.366 2.181 0.529 0.336 0.881 0.492 CB 1.557 61 residues pruned to eliminate duplicates Z: 6 10.748 1.953 0.165 0.858 1.000 0.800 C 1.556 7 residues pruned to eliminate duplicates Z: 16 9.921 1.850 0.321 0.361 0.800 0.533 CB 1.523 18 residues pruned to eliminate duplicates Z: 12 7.072 1.668 0.497 0.442 0.818 0.455 N 1.108 Z: 18 10.094 1.992 0.372 0.304 0.765 0.412 CB 1.457 18 residues pruned to eliminate duplicates Z: 26 21.951 2.062 0.453 0.586 0.920 0.680 CA 1.466 26 residues pruned to eliminate duplicates Z: 21 41.408 2.188 0.896 0.910 0.950 0.500 CB 1.666 23 residues pruned to eliminate duplicates Z: 15 22.700 2.115 0.851 0.906 1.000 0.643 CA 1.102 15 residues pruned to eliminate duplicates Z: 13 10.923 1.918 0.137 0.568 0.917 0.750 CB 1.477 12 residues pruned to eliminate duplicates Z: 12 11.987 1.940 0.469 0.553 0.909 0.545 CA 1.324 13 residues pruned to eliminate duplicates Z: 8 4.273 1.496 0.345 0.426 0.857 0.714 N 1.010 8 residues pruned to eliminate duplicates Z: 13 13.678 2.068 0.330 0.645 0.917 0.833 CB 1.368 13 residues pruned to eliminate duplicates Z: 10 7.214 1.679 0.347 0.375 0.889 0.667 N 1.368 10 residues pruned to eliminate duplicates Z: 8 10.233 1.821 1.145 0.589 0.857 0.857 CA 1.061 13 residues pruned to eliminate duplicates Z: 6 6.369 1.669 0.678 0.504 1.000 0.400 CB 1.014 Z: 23 19.870 2.093 0.714 0.375 0.909 0.636 CA 1.484 21 residues pruned to eliminate duplicates Z: 14 17.072 1.991 0.428 0.787 0.923 0.769 CB 1.401 14 residues pruned to eliminate duplicates Z: 20 36.007 2.144 0.705 0.905 1.000 0.632 CB 1.608 20 residues pruned to eliminate duplicates Z: 16 19.976 2.010 0.574 0.641 1.000 0.800 CB 1.429 16 residues pruned to eliminate duplicates Z: 8 8.398 1.956 0.360 0.446 0.857 0.429 CB 1.471 8 residues pruned to eliminate duplicates Z: 21 34.334 2.153 0.745 0.908 0.900 0.350 CB 1.613 21 residues pruned to eliminate duplicates Z: 8 5.798 1.778 0.570 0.259 0.714 0.429 O 1.447 8 residues pruned to eliminate duplicates Z: 25 23.532 2.245 0.647 0.403 0.917 0.458 CA 1.569 25 residues pruned to eliminate duplicates Z: 12 10.000 2.031 0.360 0.487 0.909 0.636 CA 1.217 12 residues pruned to eliminate duplicates Z: 21 11.065 1.870 0.331 0.589 0.850 0.700 CA 1.074 22 residues pruned to eliminate duplicates Z: 7 6.128 1.753 0.176 0.671 0.833 0.667 CA 1.244 7 residues pruned to eliminate duplicates Z: 15 9.141 1.758 0.486 0.407 0.929 0.500 CA 1.110 15 residues pruned to eliminate duplicates Z: 11 16.454 2.204 0.242 0.849 1.000 0.600 CA 1.409 11 residues pruned to eliminate duplicates Z: 16 10.825 1.941 0.499 0.408 0.867 0.533 CA 1.221 16 residues pruned to eliminate duplicates Z: 7 3.762 1.575 0.393 0.416 0.667 0.167 CB 1.146 Z: 54 27.318 2.138 0.584 0.313 0.887 0.491 CA 1.537 54 residues pruned to eliminate duplicates Z: 11 4.227 1.685 -0.065 0.484 0.900 0.400 CB 0.958 9 residues pruned to eliminate duplicates Z: 12 6.589 1.691 0.170 0.454 0.909 0.545 CB 1.157 12 residues pruned to eliminate duplicates Z: 21 32.753 2.234 0.736 0.928 0.900 0.550 CB 1.470 21 residues pruned to eliminate duplicates Z: 9 10.693 2.009 0.369 0.609 0.875 0.500 CB 1.416 11 residues pruned to eliminate duplicates Z: 20 27.581 2.122 0.534 0.922 0.842 0.579 CB 1.624 20 residues pruned to eliminate duplicates 6 1.090 1.469 0.382 0.100 0.400 0.200 C 1.001 ? Z: 8 8.095 1.793 0.464 0.527 0.857 0.571 CA 1.324 8 residues pruned to eliminate duplicates Z: 12 10.740 1.961 0.141 0.663 1.000 1.000 CB 1.244 13 residues pruned to eliminate duplicates Z: 6 4.184 1.785 0.115 0.543 0.800 0.400 CB 1.127 5 residues pruned to eliminate duplicates Z: 10 5.762 1.780 0.573 0.433 0.667 0.333 CB 1.103 10 residues pruned to eliminate duplicates Z: 18 12.386 2.016 0.445 0.399 0.824 0.588 CB 1.393 18 residues pruned to eliminate duplicates Z: 15 9.799 2.132 0.339 0.435 0.714 0.500 CB 1.373 15 residues pruned to eliminate duplicates Z: 9 5.428 1.770 0.131 0.390 0.875 0.625 CA 1.231 13 residues pruned to eliminate duplicates Z: 7 3.007 1.451 0.586 0.241 0.667 0.333 CB 1.080 Z: 11 16.052 1.800 0.495 0.862 1.000 0.500 N 1.385 11 residues pruned to eliminate duplicates Z: 19 13.648 1.899 0.389 0.536 0.833 0.444 CA 1.413 24 residues pruned to eliminate duplicates Z: 20 10.398 1.797 0.359 0.503 0.737 0.526 CB 1.322 20 residues pruned to eliminate duplicates Z: 16 24.415 2.065 0.943 0.889 1.000 0.533 CA 1.131 16 residues pruned to eliminate duplicates Z: 24 10.382 1.753 0.460 0.289 0.783 0.435 CB 1.370 26 residues pruned to eliminate duplicates Z: 9 8.258 1.843 0.126 0.747 0.875 0.625 CB 1.289 9 residues pruned to eliminate duplicates Z: 12 12.896 1.931 0.267 0.824 1.000 0.818 CA 1.201 12 residues pruned to eliminate duplicates Z: 11 8.388 1.726 0.644 0.559 0.800 0.600 CB 1.104 7 residues pruned to eliminate duplicates Z: 8 9.256 1.835 0.466 0.591 0.857 0.714 CB 1.391 8 residues pruned to eliminate duplicates Z: 23 32.469 2.195 0.629 0.840 1.000 0.727 CB 1.445 23 residues pruned to eliminate duplicates Z: 29 29.301 2.204 0.322 0.714 1.000 0.786 CA 1.565 29 residues pruned to eliminate duplicates Z: 9 18.227 2.233 0.772 0.752 0.875 0.375 CB 1.488 9 residues pruned to eliminate duplicates Z: 6 9.650 1.725 0.562 0.859 1.000 0.600 CB 1.179 6 residues pruned to eliminate duplicates Z: 20 14.298 1.970 0.311 0.374 0.895 0.421 CB 1.624 20 residues pruned to eliminate duplicates Z: 11 14.571 1.959 0.614 0.783 0.900 0.600 CA 1.262 11 residues pruned to eliminate duplicates Z: 7 5.277 1.518 0.300 0.655 0.833 0.667 CA 1.134 7 residues pruned to eliminate duplicates Z: 26 9.412 1.825 0.432 0.293 0.760 0.440 CB 1.194 25 residues pruned to eliminate duplicates Z: 21 28.727 2.213 0.698 0.871 0.800 0.300 CB 1.559 21 residues pruned to eliminate duplicates Z: 48 23.793 2.153 0.547 0.326 0.872 0.468 CA 1.445 48 residues pruned to eliminate duplicates Z: 39 25.546 1.996 0.778 0.664 0.842 0.342 CA 1.191 38 residues pruned to eliminate duplicates Z: 29 23.389 2.075 0.435 0.596 0.964 0.643 CA 1.404 29 residues pruned to eliminate duplicates Z: 10 13.106 1.913 0.759 0.502 0.889 0.444 CB 1.458 10 residues pruned to eliminate duplicates Z: 18 10.377 1.809 0.376 0.364 0.824 0.353 CB 1.420 18 residues pruned to eliminate duplicates Z: 12 4.384 1.589 0.336 0.340 0.636 0.364 CB 1.165 Z: 13 10.218 1.882 0.450 0.498 1.000 0.667 CB 1.084 13 residues pruned to eliminate duplicates Z: 12 10.108 1.941 0.448 0.532 1.000 0.636 CB 1.050 Z: 21 20.857 1.858 0.692 0.872 1.000 0.600 CA 1.081 21 residues pruned to eliminate duplicates Z: 15 14.074 2.052 0.431 0.903 0.857 0.429 CA 1.065 15 residues pruned to eliminate duplicates Z: 13 12.206 2.032 0.158 0.642 0.917 0.667 CB 1.430 13 residues pruned to eliminate duplicates Z: 10 7.489 1.748 0.462 0.699 0.889 0.556 CB 0.917 Z: 8 4.414 2.008 0.033 0.281 0.714 0.429 CB 1.443 8 residues pruned to eliminate duplicates Z: 17 29.877 2.172 0.492 0.911 0.938 0.688 CB 1.742 17 residues pruned to eliminate duplicates Z: 16 9.524 2.057 0.391 0.370 0.733 0.600 CB 1.347 16 residues pruned to eliminate duplicates Z: 13 9.872 1.994 0.324 0.378 0.833 0.583 CB 1.476 13 residues pruned to eliminate duplicates Z: 55 26.631 2.176 0.563 0.309 0.852 0.500 CB 1.547 55 residues pruned to eliminate duplicates Z: 6 2.721 1.470 -0.056 0.455 0.800 0.800 N 1.148 Z: 11 6.393 1.747 0.376 0.403 0.900 0.500 CB 1.035 11 residues pruned to eliminate duplicates Z: 26 20.289 2.204 0.675 0.331 0.840 0.520 CA 1.576 26 residues pruned to eliminate duplicates 8 1.519 1.376 0.371 0.268 0.714 0.429 N 0.555 ? Z: 33 23.734 2.122 0.522 0.725 0.844 0.625 CA 1.257 33 residues pruned to eliminate duplicates Z: 7 7.506 1.429 0.594 0.885 1.000 0.833 CB 0.971 7 residues pruned to eliminate duplicates Z: 15 8.565 1.801 0.406 0.555 0.857 0.714 CB 0.999 8 residues pruned to eliminate duplicates Z: 20 10.234 1.759 0.567 0.301 0.842 0.579 N 1.262 20 residues pruned to eliminate duplicates Z: 11 22.320 2.261 0.511 0.882 1.000 0.300 CB 1.495 11 residues pruned to eliminate duplicates Z: 13 9.451 2.022 0.202 0.576 0.750 0.667 CB 1.391 13 residues pruned to eliminate duplicates Z: 17 16.883 2.010 0.393 0.653 0.938 0.688 CB 1.395 17 residues pruned to eliminate duplicates Z: 12 16.573 2.016 0.446 0.634 1.000 0.636 CB 1.511 12 residues pruned to eliminate duplicates Z: 64 29.069 2.138 0.571 0.329 0.857 0.460 CB 1.534 60 residues pruned to eliminate duplicates Z: 15 6.813 1.562 0.261 0.407 0.857 0.571 CB 1.190 15 residues pruned to eliminate duplicates Z: 25 26.696 2.097 0.607 0.595 0.958 0.458 CB 1.541 15 residues pruned to eliminate duplicates Z: 16 5.514 1.619 0.262 0.234 0.733 0.400 CB 1.295 16 residues pruned to eliminate duplicates Z: 19 20.819 2.064 0.742 0.856 0.833 0.667 CA 1.208 19 residues pruned to eliminate duplicates Z: 6 7.758 2.109 -0.022 0.506 1.000 0.600 N 1.672 6 residues pruned to eliminate duplicates Z: 8 4.267 1.674 0.170 0.430 0.714 0.714 N 1.239 8 residues pruned to eliminate duplicates Z: 14 6.287 1.661 0.253 0.368 0.923 0.231 CB 1.046 14 residues pruned to eliminate duplicates Z: 25 18.491 2.191 0.386 0.416 0.875 0.458 CB 1.550 25 residues pruned to eliminate duplicates Z: 6 8.287 1.316 1.130 0.850 1.000 0.600 CB 0.980 Z: 22 36.171 2.195 0.740 0.931 1.000 0.667 CB 1.443 22 residues pruned to eliminate duplicates Z: 10 11.251 2.148 0.605 0.252 0.889 0.333 CA 1.627 10 residues pruned to eliminate duplicates Z: 16 8.494 1.770 0.367 0.346 0.867 0.533 CB 1.236 16 residues pruned to eliminate duplicates Z: 9 7.634 1.915 0.538 0.442 0.750 0.625 CA 1.297 9 residues pruned to eliminate duplicates Z: 9 10.765 1.920 0.627 0.426 0.875 0.750 CA 1.504 9 residues pruned to eliminate duplicates Z: 6 6.460 1.605 0.412 0.646 1.000 0.400 CA 1.113 7 residues pruned to eliminate duplicates Z: 6 2.040 1.304 0.151 0.391 0.800 0.400 CB 0.852 Z: 6 3.907 1.531 0.148 0.668 0.800 0.600 CA 1.064 6 1.886 1.646 -0.156 0.281 0.800 0.600 CB 0.972 ? Z: 6 3.199 1.608 0.458 0.279 0.800 0.200 CA 0.979 6 residues pruned to eliminate duplicates Z: 25 26.104 2.143 0.641 0.575 0.917 0.625 CB 1.538 25 residues pruned to eliminate duplicates Z: 15 21.013 2.080 0.605 0.647 1.000 0.714 CB 1.467 15 residues pruned to eliminate duplicates Z: 13 4.820 1.520 0.182 0.358 0.833 0.667 CA 1.083 13 residues pruned to eliminate duplicates Z: 19 10.372 2.070 0.450 0.215 0.833 0.333 CB 1.367 19 residues pruned to eliminate duplicates Z: 7 2.306 1.523 0.136 0.248 1.000 0.500 CB 0.727 Z: 13 20.633 2.239 0.603 0.570 0.917 0.667 CA 1.692 13 residues pruned to eliminate duplicates Z: 16 17.331 2.076 0.803 0.882 0.733 0.267 CA 1.180 16 residues pruned to eliminate duplicates Z: 30 22.778 2.128 0.641 0.365 0.931 0.483 CB 1.504 30 residues pruned to eliminate duplicates Z: 16 13.004 2.077 0.368 0.525 0.800 0.333 CB 1.441 16 residues pruned to eliminate duplicates 6 1.853 1.477 0.008 0.306 0.800 0.600 CB 0.864 ? Z: 10 7.241 1.859 0.592 0.569 0.667 0.444 CB 1.144 10 residues pruned to eliminate duplicates Z: 8 8.529 1.881 0.639 0.582 0.857 0.571 CB 1.128 8 residues pruned to eliminate duplicates Z: 11 7.100 1.820 0.730 0.434 0.800 0.500 CB 0.955 11 residues pruned to eliminate duplicates Z: 7 4.751 1.545 0.090 0.825 1.000 0.667 CA 0.869 7 residues pruned to eliminate duplicates Z: 26 16.977 1.880 0.745 0.340 0.840 0.440 CB 1.467 26 residues pruned to eliminate duplicates Z: 9 5.260 1.518 0.418 0.529 0.750 0.500 CA 1.120 5 residues pruned to eliminate duplicates Z: 17 9.771 1.630 0.487 0.484 0.812 0.625 CB 1.260 13 residues pruned to eliminate duplicates Z: 8 5.092 1.864 0.137 0.538 0.857 0.714 CA 1.021 8 residues pruned to eliminate duplicates Z: 13 12.440 1.911 0.284 0.691 1.000 0.833 CA 1.229 14 residues pruned to eliminate duplicates Z: 6 6.097 1.831 0.156 0.632 0.800 0.800 CB 1.421 Z: 8 7.875 1.899 0.080 0.520 0.857 0.286 N 1.659 7 residues pruned to eliminate duplicates Z: 21 47.247 2.328 0.830 0.931 1.000 0.700 CB 1.733 21 residues pruned to eliminate duplicates Z: 16 4.581 1.957 0.082 0.228 0.600 0.333 CB 1.278 15 residues pruned to eliminate duplicates Z: 25 23.572 2.274 0.773 0.339 0.875 0.542 CB 1.627 25 residues pruned to eliminate duplicates Z: 9 8.470 1.784 0.575 0.385 0.875 0.375 O 1.377 9 residues pruned to eliminate duplicates Z: 7 3.830 1.726 0.022 0.373 0.833 0.667 CB 1.219 Z: 6 3.452 1.867 0.065 0.327 0.800 0.400 CB 1.173 6 residues pruned to eliminate duplicates Z: 54 39.784 2.086 0.681 0.574 0.925 0.679 CA 1.569 54 residues pruned to eliminate duplicates Z: 18 10.223 2.024 0.434 0.407 0.765 0.471 CB 1.232 36 residues pruned to eliminate duplicates Z: 13 12.545 2.241 0.435 0.309 0.833 0.500 CB 1.671 13 residues pruned to eliminate duplicates Z: 22 14.697 2.069 0.591 0.388 0.762 0.476 CB 1.439 26 residues pruned to eliminate duplicates Z: 25 17.583 2.217 0.510 0.316 0.875 0.417 CB 1.502 25 residues pruned to eliminate duplicates Z: 48 39.231 2.185 0.608 0.613 0.936 0.447 CB 1.564 50 residues pruned to eliminate duplicates Z: 30 15.406 1.937 0.609 0.338 0.759 0.586 CB 1.445 30 residues pruned to eliminate duplicates Z: 23 8.999 1.766 0.276 0.546 0.818 0.591 CA 0.995 21 residues pruned to eliminate duplicates Z: 6 5.976 1.692 0.095 0.706 1.000 0.400 CB 1.197 6 residues pruned to eliminate duplicates Z: 10 8.043 1.879 0.231 0.515 1.000 0.556 CB 1.142 9 residues pruned to eliminate duplicates Z: 12 9.249 1.836 0.431 0.490 0.909 0.727 CB 1.179 12 residues pruned to eliminate duplicates Z: 6 2.530 1.232 0.350 0.451 0.800 0.600 CA 0.894 Z: 11 3.284 1.418 0.399 0.391 0.800 0.400 N 0.735 Z: 11 12.794 1.804 0.487 0.653 1.000 0.600 CB 1.308 11 residues pruned to eliminate duplicates Z: 9 3.318 1.535 0.070 0.479 0.750 0.500 CB 0.973 Z: 8 5.630 1.631 0.617 0.199 0.857 0.286 CB 1.347 Z: 22 36.882 2.088 0.936 0.928 0.952 0.524 CB 1.465 22 residues pruned to eliminate duplicates Z: 14 13.320 2.188 0.179 0.467 0.923 0.615 CB 1.605 14 residues pruned to eliminate duplicates Z: 9 6.391 1.830 0.291 0.411 0.750 0.250 N 1.399 8 residues pruned to eliminate duplicates Z: 25 25.379 2.000 0.462 0.749 0.917 0.792 CA 1.547 25 residues pruned to eliminate duplicates 6 1.467 1.212 0.289 0.517 1.000 1.000 CA 0.413 ? Z: 7 2.085 1.295 0.414 0.242 0.667 0.500 C 0.939 Z: 7 2.346 1.396 -0.067 0.325 1.000 0.500 CB 0.892 Z: 6 2.060 1.074 0.406 0.442 0.800 0.600 CB 0.809 Z: 6 3.356 1.709 0.379 0.345 0.800 0.800 CB 0.942 Z: 18 15.943 1.854 0.617 0.504 0.882 0.647 CB 1.456 23 residues pruned to eliminate duplicates Z: 10 5.153 1.575 0.399 0.427 0.889 0.444 CB 0.946 10 residues pruned to eliminate duplicates Z: 13 15.822 2.081 0.477 0.561 0.917 0.750 CA 1.528 15 residues pruned to eliminate duplicates Z: 13 12.797 2.217 0.096 0.779 0.833 0.750 CB 1.426 13 residues pruned to eliminate duplicates Z: 14 9.867 1.841 0.615 0.396 0.769 0.615 CA 1.335 14 residues pruned to eliminate duplicates Z: 11 14.560 2.030 0.285 0.834 0.900 0.700 CB 1.470 11 residues pruned to eliminate duplicates Z: 11 2.651 1.452 0.190 0.299 0.800 0.300 N 0.759 Z: 8 2.996 1.494 0.173 0.387 0.714 0.429 CB 1.020 Z: 6 4.707 1.672 0.085 0.827 1.000 1.000 CA 0.875 6 residues pruned to eliminate duplicates Z: 18 14.630 1.888 0.491 0.461 0.941 0.647 CB 1.393 18 residues pruned to eliminate duplicates Z: 8 12.649 1.931 0.296 0.760 1.000 0.714 CA 1.516 8 residues pruned to eliminate duplicates Z: 10 14.658 1.791 0.429 0.884 1.000 1.000 CA 1.379 10 residues pruned to eliminate duplicates Z: 34 31.577 2.048 0.486 0.721 0.939 0.606 CA 1.575 34 residues pruned to eliminate duplicates Z: 6 3.078 1.518 0.254 0.716 1.000 0.800 CB 0.595 Z: 18 9.470 1.755 0.378 0.480 0.824 0.647 CA 1.176 17 residues pruned to eliminate duplicates Z: 20 33.557 2.125 0.869 0.803 0.947 0.421 CB 1.570 20 residues pruned to eliminate duplicates Z: 6 4.252 1.483 0.641 0.300 1.000 0.400 CB 0.977 8 1.549 1.518 0.494 0.390 0.571 0.429 CB 0.508 ? Z: 7 3.311 1.385 0.001 0.521 0.833 0.833 N 1.147 5 residues pruned to eliminate duplicates Z: 16 9.543 1.896 0.487 0.460 0.800 0.533 CB 1.138 15 residues pruned to eliminate duplicates Z: 14 7.677 1.661 0.461 0.400 0.923 0.538 CB 1.056 14 residues pruned to eliminate duplicates Z: 11 19.244 2.137 0.691 0.880 0.900 0.600 CB 1.356 11 residues pruned to eliminate duplicates Z: 14 20.075 2.003 0.811 0.868 0.769 0.385 CB 1.458 14 residues pruned to eliminate duplicates Z: 22 25.760 2.123 0.546 0.902 0.762 0.381 CB 1.603 22 residues pruned to eliminate duplicates Z: 22 12.023 1.824 0.521 0.279 0.905 0.476 CB 1.341 22 residues pruned to eliminate duplicates Z: 16 9.514 1.814 0.426 0.528 0.867 0.600 CB 1.066 Z: 11 5.209 1.593 0.303 0.511 0.900 0.400 CB 0.872 Z: 7 4.020 1.596 0.261 0.315 1.000 0.500 CB 1.000 6 residues pruned to eliminate duplicates Z: 16 13.628 2.039 0.381 0.611 0.867 0.733 CA 1.298 13 residues pruned to eliminate duplicates Z: 10 3.278 1.369 0.394 0.324 0.889 0.444 CA 0.782 Z: 12 15.000 2.016 0.325 0.697 1.000 0.909 CA 1.415 13 residues pruned to eliminate duplicates Z: 12 6.310 1.714 0.503 0.466 0.818 0.455 CB 0.935 9 residues pruned to eliminate duplicates Z: 11 11.021 1.798 0.619 0.410 0.900 0.800 CB 1.462 11 residues pruned to eliminate duplicates Z: 39 24.201 2.160 0.606 0.299 0.947 0.474 CB 1.495 41 residues pruned to eliminate duplicates Z: 6 6.773 1.839 0.759 0.430 0.800 0.600 N 1.258 Z: 10 2.061 1.287 0.343 0.202 0.667 0.333 C 0.850 Z: 54 29.163 2.173 0.633 0.335 0.906 0.547 CB 1.492 53 residues pruned to eliminate duplicates Z: 8 7.475 2.040 0.221 0.311 0.857 0.571 CA 1.632 8 residues pruned to eliminate duplicates 6 1.943 1.390 0.016 0.644 1.000 0.600 CB 0.538 ? Z: 10 8.487 1.769 0.587 0.596 0.778 0.667 CB 1.182 10 residues pruned to eliminate duplicates Z: 9 4.523 1.627 0.233 0.447 0.750 0.500 CB 1.122 9 residues pruned to eliminate duplicates Z: 8 8.399 1.677 0.645 0.595 1.000 1.000 CA 1.051 8 residues pruned to eliminate duplicates Z: 6 3.297 1.709 0.128 0.522 0.800 0.800 CB 0.935 6 residues pruned to eliminate duplicates 7 1.903 1.372 0.047 0.249 0.833 0.333 CA 0.866 ? Z: 18 17.738 2.160 0.252 0.743 0.941 0.471 CA 1.359 18 residues pruned to eliminate duplicates Z: 7 11.848 2.184 0.658 0.686 0.833 0.667 CA 1.351 7 residues pruned to eliminate duplicates Z: 9 12.648 1.795 0.682 0.855 1.000 1.000 CA 1.093 9 residues pruned to eliminate duplicates Z: 18 10.640 1.812 0.318 0.410 0.941 0.647 CA 1.261 18 residues pruned to eliminate duplicates 6 1.393 1.293 0.307 0.400 0.600 0.400 N 0.682 ? Z: 21 17.349 2.023 0.660 0.478 0.850 0.550 CA 1.389 21 residues pruned to eliminate duplicates Z: 17 8.550 1.802 0.177 0.586 0.875 0.688 CB 1.060 13 residues pruned to eliminate duplicates Z: 8 5.051 1.756 0.160 0.405 0.714 0.714 CA 1.449 7 1.249 1.372 0.200 0.255 0.667 0.667 N 0.615 ? Z: 9 3.508 1.363 0.627 0.350 0.750 0.375 N 0.878 8 1.880 1.448 0.602 0.214 0.571 0.429 CB 0.751 ? Z: 10 3.745 1.383 0.278 0.342 0.889 0.556 C 0.944 7 1.705 1.249 0.122 0.312 0.667 0.500 O 0.917 ? Z: 9 6.197 1.674 0.484 0.534 0.875 0.500 N 0.975 Z: 24 28.798 2.141 0.648 0.672 0.957 0.478 CA 1.518 23 residues pruned to eliminate duplicates Z: 7 5.281 1.474 0.073 0.577 1.000 0.500 N 1.266 7 residues pruned to eliminate duplicates Z: 6 4.263 1.389 0.408 0.749 0.800 0.400 CB 0.976 Z: 16 18.569 1.984 0.550 0.573 1.000 0.733 CB 1.453 16 residues pruned to eliminate duplicates Z: 6 2.247 1.665 0.196 0.414 0.400 0.400 N 1.380 Z: 11 6.612 1.400 0.520 0.485 1.000 0.400 N 0.997 Z: 13 8.015 1.797 0.510 0.424 1.000 0.667 CB 0.923 13 residues pruned to eliminate duplicates Z: 21 37.733 2.108 0.633 0.897 1.000 0.850 CB 1.753 21 residues pruned to eliminate duplicates Z: 9 17.323 1.783 0.761 0.912 1.000 0.750 CB 1.381 10 residues pruned to eliminate duplicates Z: 12 6.906 1.829 0.399 0.391 0.727 0.636 CB 1.256 12 residues pruned to eliminate duplicates 7 1.820 1.430 0.178 0.401 0.667 0.500 CB 0.734 ? 6 1.613 1.108 0.289 0.447 0.800 0.600 CB 0.666 ? Z: 7 3.776 1.708 -0.014 0.480 0.833 0.500 CB 1.121 7 residues pruned to eliminate duplicates Z: 7 8.731 1.592 0.779 0.750 1.000 0.833 CA 1.007 7 residues pruned to eliminate duplicates Z: 21 17.631 2.089 0.575 0.413 0.900 0.550 CB 1.458 21 residues pruned to eliminate duplicates Z: 6 2.642 1.620 -0.055 0.581 0.800 0.800 O 0.893 Z: 7 3.522 1.534 -0.046 0.610 1.000 0.667 CB 0.886 Z: 23 30.735 2.145 0.699 0.749 0.909 0.773 CB 1.584 23 residues pruned to eliminate duplicates Z: 37 24.890 2.174 0.715 0.318 0.889 0.556 CB 1.530 37 residues pruned to eliminate duplicates Z: 8 3.052 1.464 0.379 0.412 0.857 0.429 CB 0.731 Z: 22 34.312 2.155 0.497 0.912 1.000 0.905 CA 1.643 22 residues pruned to eliminate duplicates Z: 11 5.744 1.874 0.109 0.444 0.800 0.400 CB 1.157 11 residues pruned to eliminate duplicates Z: 9 6.406 1.714 0.028 0.469 1.000 0.625 N 1.326 10 residues pruned to eliminate duplicates 7 1.865 1.482 0.181 0.233 0.667 0.667 N 0.891 ? 8 1.758 1.431 -0.093 0.189 0.857 0.714 CB 0.867 ? Z: 7 4.204 1.707 0.206 0.538 0.667 0.500 N 1.205 Z: 7 2.542 1.377 0.014 0.383 0.833 0.667 CB 1.010 Z: 15 5.991 1.696 0.165 0.310 0.786 0.500 CB 1.274 15 residues pruned to eliminate duplicates Z: 9 5.001 1.667 0.407 0.374 0.875 0.500 CA 0.986 9 residues pruned to eliminate duplicates Z: 17 8.240 1.714 0.431 0.384 0.812 0.438 CA 1.169 15 residues pruned to eliminate duplicates Z: 18 5.753 1.642 0.066 0.335 0.824 0.471 CB 1.159 18 residues pruned to eliminate duplicates Z: 7 5.945 1.516 0.536 0.470 1.000 0.500 N 1.074 Z: 6 6.941 1.807 0.398 0.587 0.800 0.600 CA 1.414 6 residues pruned to eliminate duplicates Z: 10 10.738 1.711 0.649 0.762 1.000 0.556 CB 1.005 10 residues pruned to eliminate duplicates Z: 32 35.501 2.112 0.894 0.616 0.935 0.419 CB 1.527 30 residues pruned to eliminate duplicates Z: 54 34.599 2.107 0.498 0.561 0.925 0.679 CA 1.534 54 residues pruned to eliminate duplicates 9 1.276 1.537 -0.041 0.184 0.625 0.375 CB 0.716 ? 6 1.795 1.409 0.365 0.456 0.600 0.400 CB 0.727 ? Z: 13 14.833 1.953 0.585 0.876 1.000 0.667 CA 1.006 13 residues pruned to eliminate duplicates Z: 8 2.295 1.452 0.126 0.499 1.000 0.857 CB 0.531 Z: 10 5.029 1.310 0.785 0.469 0.778 0.444 N 0.951 Z: 9 4.163 1.847 -0.026 0.286 0.875 0.500 CA 1.189 9 residues pruned to eliminate duplicates Z: 20 15.846 1.949 0.392 0.486 0.895 0.421 CA 1.519 20 residues pruned to eliminate duplicates Z: 18 9.417 1.763 0.373 0.475 0.824 0.588 CA 1.175 21 residues pruned to eliminate duplicates Z: 17 19.611 2.098 0.588 0.825 1.000 0.938 CA 1.111 17 residues pruned to eliminate duplicates Z: 16 19.990 2.083 0.483 0.833 0.933 0.733 CB 1.343 16 residues pruned to eliminate duplicates Z: 7 3.565 1.393 0.427 0.387 0.667 0.500 N 1.238 Z: 18 9.574 1.740 0.510 0.467 0.765 0.647 CB 1.196 18 residues pruned to eliminate duplicates Z: 8 8.002 1.624 0.360 0.559 1.000 0.571 C 1.293 Z: 8 8.861 1.805 0.011 0.792 1.000 0.429 N 1.420 6 residues pruned to eliminate duplicates Z: 8 2.320 1.322 0.070 0.401 0.857 0.429 CB 0.803 Z: 6 6.292 1.890 0.114 0.668 1.000 0.600 CA 1.144 6 residues pruned to eliminate duplicates Z: 16 10.389 1.849 0.480 0.290 0.867 0.600 CB 1.433 16 residues pruned to eliminate duplicates Z: 6 3.166 1.476 -0.179 0.477 1.000 0.400 N 1.195 Z: 6 2.300 1.266 0.571 0.456 0.800 0.600 CA 0.676 Z: 6 2.714 1.563 -0.064 0.447 0.800 0.800 O 1.095 Z: 6 7.304 1.804 0.596 0.729 1.000 1.000 CA 0.923 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 6.257 1.728 0.299 0.453 1.000 0.600 CB 0.924 9 residues pruned to eliminate duplicates Z: 6 2.714 1.670 0.175 0.225 0.600 0.400 C 1.422 6 residues pruned to eliminate duplicates Z: 13 9.107 1.766 0.602 0.404 0.833 0.667 CB 1.234 8 residues pruned to eliminate duplicates Z: 6 3.211 1.349 0.237 0.471 1.000 0.800 CA 0.886 6 residues pruned to eliminate duplicates Z: 13 4.780 1.559 0.451 0.316 0.750 0.583 CB 0.998 13 residues pruned to eliminate duplicates Z: 14 10.030 1.953 0.147 0.568 0.923 0.692 CB 1.260 13 residues pruned to eliminate duplicates Z: 6 2.608 1.273 0.441 0.322 1.000 0.600 N 0.774 6 residues pruned to eliminate duplicates Z: 13 12.782 2.028 0.367 0.587 0.917 0.750 CB 1.336 13 residues pruned to eliminate duplicates Z: 6 3.655 1.529 0.787 0.425 0.600 0.400 C 1.078 Z: 10 10.807 2.073 0.360 0.524 0.778 0.556 CA 1.604 10 residues pruned to eliminate duplicates Z: 7 6.324 1.599 0.635 0.414 1.000 0.667 N 1.080 7 residues pruned to eliminate duplicates Z: 12 10.660 1.915 0.427 0.454 0.818 0.636 N 1.507 12 residues pruned to eliminate duplicates Z: 10 14.140 2.044 0.538 0.610 0.889 0.556 CB 1.520 11 residues pruned to eliminate duplicates Z: 6 4.031 1.707 -0.009 0.312 1.000 0.800 CA 1.313 6 residues pruned to eliminate duplicates Z: 12 11.787 1.987 0.377 0.503 0.818 0.636 N 1.582 12 residues pruned to eliminate duplicates Z: 6 3.774 1.653 0.279 0.406 0.800 0.400 CA 1.101 6 residues pruned to eliminate duplicates Z: 16 16.311 1.964 0.440 0.507 0.933 0.467 CA 1.585 16 residues pruned to eliminate duplicates Z: 15 18.148 2.011 0.469 0.559 1.000 0.714 CA 1.551 15 residues pruned to eliminate duplicates Z: 15 13.590 1.817 0.544 0.440 0.929 0.714 CA 1.482 15 residues pruned to eliminate duplicates Z: 15 13.947 1.885 0.499 0.434 0.929 0.571 N 1.521 20 residues pruned to eliminate duplicates Z: 6 4.147 1.664 0.586 0.282 0.800 0.400 CA 1.123 6 residues pruned to eliminate duplicates Z: 10 18.210 2.045 0.603 0.575 1.000 0.556 CB 1.722 10 residues pruned to eliminate duplicates Z: 15 17.013 2.007 0.573 0.527 0.857 0.571 CA 1.637 15 residues pruned to eliminate duplicates Z: 6 5.075 1.674 0.152 0.406 1.000 0.600 CA 1.299 6 residues pruned to eliminate duplicates Z: 14 13.632 1.933 0.477 0.480 0.846 0.538 CB 1.598 13 residues pruned to eliminate duplicates Z: 6 6.913 1.817 0.332 0.371 1.000 0.400 O 1.466 7 residues pruned to eliminate duplicates Z: 6 6.374 1.861 0.117 0.347 1.000 0.400 N 1.618 6 residues pruned to eliminate duplicates Z: 26 26.011 2.270 0.778 0.390 0.920 0.400 CB 1.574 25 residues pruned to eliminate duplicates Z: 6 5.764 1.851 0.860 0.326 1.000 0.400 CB 0.907 6 residues pruned to eliminate duplicates Z: 25 25.055 2.267 0.769 0.359 0.917 0.333 CB 1.619 25 residues pruned to eliminate duplicates Z: 25 23.169 2.294 0.544 0.352 0.958 0.542 CB 1.634 25 residues pruned to eliminate duplicates Z: 25 21.436 2.248 0.634 0.342 0.917 0.458 CB 1.544 25 residues pruned to eliminate duplicates Z: 27 22.256 2.219 0.675 0.307 0.923 0.423 CA 1.577 27 residues pruned to eliminate duplicates Z: 16 13.863 2.305 0.774 0.189 0.867 0.333 CA 1.466 16 residues pruned to eliminate duplicates Z: 53 29.505 2.198 0.617 0.318 0.885 0.519 CB 1.591 53 residues pruned to eliminate duplicates Z: 26 24.952 2.247 0.840 0.346 0.920 0.480 CB 1.552 26 residues pruned to eliminate duplicates Z: 25 25.660 2.309 0.738 0.394 0.917 0.542 CB 1.592 25 residues pruned to eliminate duplicates Z: 23 24.137 2.332 0.735 0.353 0.909 0.500 CA 1.640 23 residues pruned to eliminate duplicates Z: 25 20.679 2.278 0.588 0.336 0.875 0.500 CA 1.596 25 residues pruned to eliminate duplicates Z: 28 21.008 2.221 0.572 0.343 0.889 0.481 CB 1.545 28 residues pruned to eliminate duplicates Z: 26 27.155 2.278 0.626 0.391 1.000 0.400 CA 1.645 26 residues pruned to eliminate duplicates Z: 26 23.490 2.255 0.685 0.326 0.960 0.320 CA 1.558 26 residues pruned to eliminate duplicates Z: 27 21.677 2.237 0.557 0.339 0.923 0.385 CA 1.576 27 residues pruned to eliminate duplicates Z: 11 23.231 2.234 0.781 0.626 1.000 0.700 CB 1.641 11 residues pruned to eliminate duplicates Z: 25 26.307 2.286 0.762 0.371 0.958 0.458 CB 1.597 25 residues pruned to eliminate duplicates Z: 26 20.630 2.258 0.529 0.338 0.920 0.400 CA 1.551 26 residues pruned to eliminate duplicates Z: 53 24.756 2.157 0.518 0.310 0.885 0.558 CB 1.463 53 residues pruned to eliminate duplicates Z: 23 25.725 2.322 0.814 0.332 0.955 0.591 CA 1.640 23 residues pruned to eliminate duplicates Z: 32 23.947 2.250 0.784 0.296 0.871 0.484 CA 1.544 32 residues pruned to eliminate duplicates Z: 46 25.726 2.150 0.552 0.349 0.911 0.511 CB 1.485 46 residues pruned to eliminate duplicates Z: 48 22.656 2.168 0.491 0.317 0.830 0.532 CB 1.509 48 residues pruned to eliminate duplicates Z: 45 26.461 2.168 0.598 0.351 0.886 0.545 CB 1.527 45 residues pruned to eliminate duplicates Z: 35 22.840 2.176 0.553 0.307 0.941 0.412 CA 1.526 35 residues pruned to eliminate duplicates Z: 55 28.046 2.188 0.582 0.313 0.889 0.444 CB 1.526 55 residues pruned to eliminate duplicates Z: 42 22.212 2.101 0.622 0.335 0.902 0.463 CA 1.352 42 residues pruned to eliminate duplicates Z: 45 25.482 2.135 0.570 0.344 0.886 0.386 CB 1.531 45 residues pruned to eliminate duplicates Z: 57 30.635 2.158 0.658 0.340 0.929 0.536 CB 1.466 66 residues pruned to eliminate duplicates Z: 7 4.229 1.706 0.555 0.329 0.833 0.333 CB 0.942 7 residues pruned to eliminate duplicates Z: 55 30.032 2.166 0.590 0.340 0.944 0.481 CB 1.497 55 residues pruned to eliminate duplicates Z: 29 20.345 2.065 0.570 0.420 0.929 0.357 CB 1.389 29 residues pruned to eliminate duplicates Z: 15 12.154 2.093 0.812 0.354 0.857 0.571 CA 1.170 15 residues pruned to eliminate duplicates Z: 57 30.959 2.165 0.653 0.344 0.893 0.482 CA 1.535 57 residues pruned to eliminate duplicates Z: 33 17.582 1.969 0.490 0.369 0.875 0.438 CB 1.393 33 residues pruned to eliminate duplicates Z: 46 22.595 2.141 0.484 0.351 0.822 0.511 CA 1.515 46 residues pruned to eliminate duplicates Z: 55 29.070 2.205 0.589 0.334 0.870 0.407 CA 1.556 55 residues pruned to eliminate duplicates Z: 6 6.050 1.868 0.702 0.413 1.000 1.000 CA 0.932 6 residues pruned to eliminate duplicates Z: 29 15.454 2.126 0.382 0.358 0.786 0.393 CB 1.475 29 residues pruned to eliminate duplicates Z: 55 27.367 2.191 0.506 0.293 0.907 0.500 CB 1.569 55 residues pruned to eliminate duplicates Z: 28 18.138 2.146 0.487 0.366 0.889 0.593 CB 1.420 28 residues pruned to eliminate duplicates Z: 55 28.482 2.179 0.537 0.322 0.907 0.481 CA 1.551 55 residues pruned to eliminate duplicates Z: 62 29.111 2.145 0.535 0.335 0.902 0.508 CA 1.504 62 residues pruned to eliminate duplicates Z: 24 14.351 2.169 0.196 0.338 0.826 0.435 CB 1.665 18 residues pruned to eliminate duplicates Z: 8 4.081 1.595 0.497 0.385 0.714 0.143 CB 1.022 8 residues pruned to eliminate duplicates Z: 8 6.315 1.971 0.227 0.265 0.857 0.286 CA 1.505 8 residues pruned to eliminate duplicates Z: 6 2.621 1.646 0.345 0.177 0.800 0.400 CA 0.977 6 residues pruned to eliminate duplicates Z: 43 36.409 2.259 0.355 0.672 0.952 0.571 CB 1.645 43 residues pruned to eliminate duplicates Z: 91 37.080 2.138 0.413 0.462 0.900 0.578 CA 1.493 91 residues pruned to eliminate duplicates Z: 23 39.159 2.261 0.746 0.771 1.000 0.727 CB 1.664 23 residues pruned to eliminate duplicates Z: 47 39.351 2.183 0.494 0.633 0.957 0.609 CB 1.642 47 residues pruned to eliminate duplicates Z: 44 43.107 2.231 0.593 0.679 0.977 0.628 CB 1.606 44 residues pruned to eliminate duplicates Z: 25 29.036 2.269 0.628 0.565 0.875 0.625 CA 1.722 25 residues pruned to eliminate duplicates Z: 43 42.428 2.276 0.530 0.687 0.976 0.667 CA 1.622 43 residues pruned to eliminate duplicates Z: 49 37.981 2.260 0.504 0.601 0.958 0.625 CB 1.529 49 residues pruned to eliminate duplicates Z: 47 41.440 2.221 0.545 0.663 0.957 0.652 CA 1.599 47 residues pruned to eliminate duplicates Z: 57 32.837 2.102 0.513 0.548 0.911 0.554 CB 1.447 49 residues pruned to eliminate duplicates Z: 18 30.068 2.206 0.604 0.856 0.941 0.588 CB 1.614 18 residues pruned to eliminate duplicates Z: 43 43.107 2.267 0.614 0.659 0.976 0.619 CB 1.607 43 residues pruned to eliminate duplicates Z: 37 40.068 2.307 0.560 0.726 0.944 0.611 CB 1.603 37 residues pruned to eliminate duplicates Z: 55 47.558 2.241 0.593 0.617 0.981 0.537 CB 1.653 60 residues pruned to eliminate duplicates Z: 22 37.736 2.257 0.645 0.920 1.000 0.571 CB 1.562 22 residues pruned to eliminate duplicates Z: 45 40.654 2.220 0.548 0.675 0.955 0.705 CB 1.590 45 residues pruned to eliminate duplicates Z: 33 33.158 2.229 0.663 0.754 0.906 0.531 CB 1.391 33 residues pruned to eliminate duplicates Z: 32 31.932 2.272 0.603 0.710 0.935 0.581 CB 1.390 32 residues pruned to eliminate duplicates Z: 30 38.064 2.301 0.641 0.740 0.931 0.586 CB 1.622 30 residues pruned to eliminate duplicates Z: 55 41.164 2.226 0.548 0.612 0.907 0.444 CB 1.610 55 residues pruned to eliminate duplicates Z: 46 32.958 2.146 0.584 0.583 0.933 0.533 CB 1.430 46 residues pruned to eliminate duplicates Z: 41 43.754 2.295 0.555 0.688 0.975 0.600 CB 1.674 41 residues pruned to eliminate duplicates Z: 46 44.929 2.235 0.629 0.652 0.956 0.600 CA 1.671 46 residues pruned to eliminate duplicates Z: 18 19.511 2.170 0.499 0.553 0.882 0.529 CB 1.565 18 residues pruned to eliminate duplicates Z: 44 45.409 2.277 0.695 0.670 0.953 0.488 CB 1.608 44 residues pruned to eliminate duplicates Z: 16 16.169 2.202 0.453 0.595 0.800 0.533 CB 1.490 16 residues pruned to eliminate duplicates Z: 43 47.457 2.289 0.682 0.675 0.952 0.619 CB 1.699 43 residues pruned to eliminate duplicates Z: 43 43.444 2.274 0.569 0.704 0.929 0.452 CA 1.680 43 residues pruned to eliminate duplicates Z: 44 40.608 2.253 0.636 0.664 0.907 0.442 CB 1.592 44 residues pruned to eliminate duplicates Z: 47 38.585 2.196 0.599 0.595 0.935 0.478 CB 1.583 47 residues pruned to eliminate duplicates Z: 43 43.338 2.263 0.651 0.680 0.952 0.524 CB 1.592 43 residues pruned to eliminate duplicates Z: 18 18.274 2.194 0.529 0.563 0.824 0.529 CB 1.509 18 residues pruned to eliminate duplicates Z: 44 43.832 2.248 0.657 0.667 0.953 0.651 CB 1.613 44 residues pruned to eliminate duplicates Z: 16 13.073 2.076 0.586 0.561 0.667 0.267 CB 1.449 16 residues pruned to eliminate duplicates Z: 41 35.031 2.192 0.810 0.592 0.850 0.325 CB 1.504 41 residues pruned to eliminate duplicates Z: 21 15.073 2.204 0.431 0.467 0.800 0.250 CB 1.381 21 residues pruned to eliminate duplicates Z: 54 42.519 2.235 0.609 0.589 0.906 0.434 CA 1.648 54 residues pruned to eliminate duplicates Z: 6 2.356 1.511 0.299 0.325 0.600 0.200 CA 1.085 6 residues pruned to eliminate duplicates Z: 24 21.224 2.118 0.716 0.381 0.957 0.261 CB 1.445 24 residues pruned to eliminate duplicates Z: 6 4.104 1.688 0.802 0.154 0.800 0.200 C 1.152 6 residues pruned to eliminate duplicates Z: 11 13.282 2.211 0.503 0.325 1.000 0.300 CA 1.531 11 residues pruned to eliminate duplicates Z: 115 47.840 2.208 0.558 0.442 0.895 0.456 CB 1.545 115 residues pruned to eliminate duplicates Z: 55 43.765 2.244 0.632 0.580 0.981 0.500 CB 1.533 55 residues pruned to eliminate duplicates Z: 13 15.743 2.113 0.649 0.284 1.000 0.333 CB 1.663 13 residues pruned to eliminate duplicates Z: 44 38.455 2.278 0.620 0.627 0.930 0.442 CB 1.516 44 residues pruned to eliminate duplicates Z: 23 17.813 2.067 0.515 0.404 0.955 0.545 CB 1.405 18 residues pruned to eliminate duplicates Z: 19 11.795 1.944 0.791 0.237 0.944 0.389 CB 1.147 19 residues pruned to eliminate duplicates Z: 14 14.362 1.858 0.581 0.429 1.000 0.538 CB 1.461 10 residues pruned to eliminate duplicates Z: 6 2.921 1.549 0.406 0.439 0.800 0.200 CB 0.797 6 residues pruned to eliminate duplicates Z: 55 41.835 2.142 0.619 0.575 0.963 0.704 CA 1.586 55 residues pruned to eliminate duplicates Z: 55 41.207 2.108 0.669 0.560 0.963 0.704 CA 1.562 55 residues pruned to eliminate duplicates Z: 49 42.952 2.104 0.785 0.608 0.958 0.646 CA 1.554 49 residues pruned to eliminate duplicates Z: 22 16.701 2.152 0.828 0.304 0.762 0.381 CA 1.511 22 residues pruned to eliminate duplicates Z: 25 17.488 2.077 0.630 0.313 0.875 0.417 CA 1.481 25 residues pruned to eliminate duplicates Z: 62 40.091 2.112 0.589 0.518 0.951 0.541 CA 1.580 62 residues pruned to eliminate duplicates Z: 61 38.627 2.094 0.618 0.516 0.950 0.633 CA 1.525 61 residues pruned to eliminate duplicates Z: 33 20.651 2.063 0.673 0.343 0.875 0.469 CA 1.435 33 residues pruned to eliminate duplicates Z: 24 17.876 2.020 0.496 0.398 0.957 0.435 CA 1.436 24 residues pruned to eliminate duplicates Z: 53 39.799 2.128 0.696 0.581 0.904 0.635 CB 1.566 53 residues pruned to eliminate duplicates Z: 43 35.227 2.141 0.661 0.615 0.905 0.643 CA 1.515 43 residues pruned to eliminate duplicates Z: 58 36.995 2.111 0.579 0.542 0.912 0.579 CA 1.547 58 residues pruned to eliminate duplicates Z: 49 38.411 2.164 0.672 0.532 0.958 0.562 CA 1.549 49 residues pruned to eliminate duplicates Z: 50 34.641 2.095 0.499 0.583 0.959 0.653 CA 1.518 50 residues pruned to eliminate duplicates Z: 55 33.916 2.110 0.651 0.511 0.852 0.574 CA 1.538 55 residues pruned to eliminate duplicates Z: 58 39.017 2.098 0.580 0.572 0.930 0.632 CA 1.563 58 residues pruned to eliminate duplicates Z: 27 17.588 2.018 0.694 0.339 0.846 0.500 CA 1.420 27 residues pruned to eliminate duplicates Z: 58 42.061 2.124 0.654 0.554 0.965 0.491 CA 1.560 58 residues pruned to eliminate duplicates Z: 46 40.352 2.157 0.639 0.611 0.933 0.711 CA 1.641 46 residues pruned to eliminate duplicates Z: 57 42.811 2.118 0.633 0.549 0.982 0.679 CA 1.606 57 residues pruned to eliminate duplicates Z: 31 31.313 2.069 0.552 0.626 1.000 0.633 CB 1.582 31 residues pruned to eliminate duplicates Z: 48 40.517 2.104 0.695 0.623 0.915 0.702 CA 1.612 48 residues pruned to eliminate duplicates Z: 35 36.202 2.110 0.610 0.729 0.941 0.735 CA 1.580 35 residues pruned to eliminate duplicates Z: 53 33.007 2.082 0.576 0.534 0.923 0.596 CA 1.461 53 residues pruned to eliminate duplicates Z: 57 36.580 2.069 0.555 0.561 0.911 0.661 CA 1.572 57 residues pruned to eliminate duplicates Z: 29 33.632 2.141 0.575 0.763 0.964 0.750 CA 1.548 29 residues pruned to eliminate duplicates Z: 31 26.365 2.067 0.581 0.633 0.933 0.767 CA 1.393 31 residues pruned to eliminate duplicates Z: 42 28.701 1.960 0.513 0.621 0.902 0.610 CB 1.494 42 residues pruned to eliminate duplicates Z: 43 34.075 2.097 0.727 0.550 0.929 0.714 CA 1.489 43 residues pruned to eliminate duplicates Z: 38 35.799 2.103 0.667 0.664 0.946 0.703 CA 1.524 38 residues pruned to eliminate duplicates Z: 41 32.251 2.029 0.523 0.643 0.950 0.650 CB 1.519 41 residues pruned to eliminate duplicates Z: 36 36.241 2.132 0.651 0.678 0.943 0.686 CA 1.567 36 residues pruned to eliminate duplicates Z: 63 37.968 2.053 0.726 0.504 0.871 0.565 CA 1.556 63 residues pruned to eliminate duplicates Z: 55 40.777 2.135 0.709 0.573 0.907 0.685 CA 1.563 55 residues pruned to eliminate duplicates Z: 48 40.347 2.122 0.685 0.621 0.936 0.638 CA 1.568 48 residues pruned to eliminate duplicates Z: 56 42.399 2.125 0.690 0.550 0.982 0.564 CA 1.544 56 residues pruned to eliminate duplicates Z: 33 40.171 2.189 0.552 0.760 1.000 0.688 CA 1.660 33 residues pruned to eliminate duplicates Z: 35 31.744 2.100 0.551 0.674 0.941 0.618 CA 1.513 35 residues pruned to eliminate duplicates Z: 37 33.262 2.080 0.585 0.686 0.944 0.556 CA 1.501 37 residues pruned to eliminate duplicates Z: 56 37.833 2.112 0.737 0.539 0.891 0.545 CA 1.502 56 residues pruned to eliminate duplicates Z: 58 41.290 2.118 0.718 0.550 0.947 0.579 CA 1.512 58 residues pruned to eliminate duplicates Z: 39 35.150 2.060 0.731 0.675 0.895 0.605 CA 1.521 39 residues pruned to eliminate duplicates Z: 33 40.155 2.140 0.760 0.778 0.938 0.688 CA 1.573 33 residues pruned to eliminate duplicates Z: 60 35.704 2.023 0.694 0.500 0.898 0.559 CB 1.510 60 residues pruned to eliminate duplicates Z: 42 33.710 2.002 0.601 0.621 0.927 0.537 CB 1.580 42 residues pruned to eliminate duplicates Z: 13 20.473 2.005 0.498 0.874 0.917 0.500 CA 1.562 13 residues pruned to eliminate duplicates Z: 29 30.822 2.052 0.749 0.703 0.929 0.321 CB 1.453 29 residues pruned to eliminate duplicates Z: 36 35.875 2.081 0.732 0.705 0.886 0.543 CA 1.576 36 residues pruned to eliminate duplicates Z: 46 40.191 2.132 0.694 0.642 0.889 0.467 CA 1.635 46 residues pruned to eliminate duplicates Z: 50 44.582 2.128 0.752 0.609 0.939 0.551 CA 1.641 50 residues pruned to eliminate duplicates 9 1.487 1.338 0.374 0.202 0.625 0.250 CB 0.651 ? Z: 10 9.888 1.860 0.120 0.644 1.000 0.889 CA 1.383 10 residues pruned to eliminate duplicates Z: 11 10.022 1.866 0.459 0.595 0.900 0.600 CA 1.181 11 residues pruned to eliminate duplicates Z: 10 14.498 1.937 0.626 0.633 1.000 0.778 CA 1.354 10 residues pruned to eliminate duplicates Z: 7 5.031 1.611 0.452 0.542 0.833 0.167 CA 1.011 7 residues pruned to eliminate duplicates Z: 10 13.969 1.933 0.552 0.659 1.000 0.556 CA 1.339 10 residues pruned to eliminate duplicates Z: 11 10.509 1.845 0.553 0.570 0.900 0.700 CA 1.204 11 residues pruned to eliminate duplicates Z: 10 12.376 1.980 0.389 0.676 0.889 0.778 CA 1.434 10 residues pruned to eliminate duplicates Z: 7 10.498 1.907 0.783 0.680 1.000 0.667 CA 1.068 7 residues pruned to eliminate duplicates Z: 6 7.079 1.695 0.525 0.486 1.000 0.400 N 1.243 6 residues pruned to eliminate duplicates Z: 15 24.576 2.142 0.619 0.697 1.000 0.714 CB 1.583 15 residues pruned to eliminate duplicates Z: 12 16.625 1.951 0.523 0.672 1.000 0.818 CB 1.440 12 residues pruned to eliminate duplicates Z: 17 20.384 1.966 0.798 0.659 1.000 0.625 CB 1.244 17 residues pruned to eliminate duplicates Z: 17 16.496 1.927 0.543 0.571 0.875 0.500 CB 1.480 17 residues pruned to eliminate duplicates Z: 14 18.729 2.074 0.536 0.577 0.923 0.692 CB 1.640 14 residues pruned to eliminate duplicates Z: 11 15.949 1.817 0.606 0.816 1.000 0.600 CA 1.313 10 residues pruned to eliminate duplicates Z: 11 15.518 1.843 0.484 0.861 1.000 0.600 CA 1.319 11 residues pruned to eliminate duplicates Z: 12 16.393 1.810 0.550 0.804 1.000 0.727 CA 1.351 12 residues pruned to eliminate duplicates Z: 14 21.404 2.123 0.605 0.640 0.923 0.692 CB 1.657 14 residues pruned to eliminate duplicates Z: 16 17.585 2.052 0.553 0.629 0.933 0.533 CB 1.352 16 residues pruned to eliminate duplicates Z: 17 12.518 1.952 0.334 0.621 0.750 0.375 CB 1.431 17 residues pruned to eliminate duplicates Z: 6 5.265 1.491 0.616 0.437 1.000 0.600 CA 1.043 6 residues pruned to eliminate duplicates Z: 13 8.265 1.811 0.189 0.578 0.833 0.333 CB 1.233 20 residues pruned to eliminate duplicates Z: 7 2.860 1.545 0.166 0.533 0.667 0.167 CB 0.941 7 residues pruned to eliminate duplicates Z: 11 7.010 1.871 0.269 0.484 0.900 0.600 CB 1.055 11 residues pruned to eliminate duplicates Z: 6 9.422 1.981 0.368 0.637 1.000 0.600 CA 1.367 6 residues pruned to eliminate duplicates Z: 6 7.040 1.890 0.282 0.501 1.000 0.600 CA 1.298 6 residues pruned to eliminate duplicates Z: 8 5.772 1.766 0.228 0.451 0.857 0.286 CB 1.234 8 residues pruned to eliminate duplicates Z: 8 7.567 1.740 0.627 0.296 0.857 0.429 CB 1.481 2 residues pruned to eliminate duplicates Z: 9 8.282 1.739 0.524 0.400 1.000 0.375 CA 1.227 9 residues pruned to eliminate duplicates Z: 7 4.750 1.695 0.807 0.230 0.667 0.167 CB 1.300 7 residues pruned to eliminate duplicates Z: 9 3.779 1.680 0.589 0.176 0.625 0.375 N 1.185 9 residues pruned to eliminate duplicates Z: 16 20.359 2.085 0.600 0.546 1.000 0.733 CB 1.507 16 residues pruned to eliminate duplicates Z: 16 17.343 2.032 0.525 0.511 1.000 0.667 CB 1.429 16 residues pruned to eliminate duplicates Z: 16 20.373 2.093 0.573 0.570 1.000 0.733 CB 1.493 16 residues pruned to eliminate duplicates Z: 6 5.904 1.892 0.881 0.334 0.800 0.400 CA 1.112 6 residues pruned to eliminate duplicates Z: 16 16.216 2.045 0.417 0.539 1.000 0.667 CB 1.390 16 residues pruned to eliminate duplicates Z: 16 18.910 2.069 0.506 0.575 1.000 0.800 CB 1.458 16 residues pruned to eliminate duplicates Z: 15 17.079 2.035 0.452 0.592 1.000 0.857 CB 1.415 15 residues pruned to eliminate duplicates Z: 19 13.971 1.946 0.412 0.503 0.944 0.611 CB 1.265 19 residues pruned to eliminate duplicates Z: 17 17.028 2.051 0.437 0.585 1.000 0.750 CB 1.332 17 residues pruned to eliminate duplicates Z: 17 18.027 2.053 0.490 0.567 1.000 0.625 CB 1.381 16 residues pruned to eliminate duplicates Z: 6 7.472 1.669 0.514 0.457 1.000 0.400 CA 1.382 7 residues pruned to eliminate duplicates Z: 6 4.998 1.679 0.578 0.258 0.800 0.600 N 1.391 6 residues pruned to eliminate duplicates Z: 17 6.301 1.875 0.312 0.283 0.688 0.312 CB 1.189 17 residues pruned to eliminate duplicates Z: 14 8.127 1.976 0.480 0.258 0.692 0.385 CB 1.470 14 residues pruned to eliminate duplicates Z: 13 7.770 1.949 0.503 0.271 0.667 0.333 CA 1.489 13 residues pruned to eliminate duplicates Z: 12 9.426 1.830 0.597 0.347 0.818 0.455 CB 1.402 9 residues pruned to eliminate duplicates Z: 6 2.476 1.656 0.061 0.273 0.800 0.600 CA 1.019 6 residues pruned to eliminate duplicates Z: 23 8.032 1.896 0.384 0.222 0.682 0.409 CB 1.325 23 residues pruned to eliminate duplicates Z: 8 3.001 1.773 0.582 0.103 0.571 0.429 CB 1.175 8 residues pruned to eliminate duplicates Z: 8 5.854 1.859 0.295 0.318 0.857 0.429 CB 1.310 8 residues pruned to eliminate duplicates Z: 9 4.023 1.956 -0.027 0.279 0.625 0.375 CA 1.536 9 residues pruned to eliminate duplicates Z: 7 5.917 1.971 0.487 0.274 0.667 0.333 N 1.598 7 residues pruned to eliminate duplicates Z: 9 6.752 1.922 0.378 0.321 0.750 0.125 CB 1.464 9 residues pruned to eliminate duplicates Z: 6 3.242 2.091 0.421 0.186 0.400 0.200 CB 1.777 6 residues pruned to eliminate duplicates Z: 9 7.390 2.009 0.365 0.319 0.750 0.125 CB 1.551 9 residues pruned to eliminate duplicates Z: 7 5.993 2.033 0.384 0.297 0.667 0.167 CB 1.637 7 residues pruned to eliminate duplicates Z: 22 10.592 1.968 0.552 0.325 0.810 0.238 CB 1.134 20 residues pruned to eliminate duplicates Z: 6 2.770 1.350 0.621 0.331 1.000 0.400 CA 0.681 6 residues pruned to eliminate duplicates Z: 9 7.461 1.937 0.589 0.542 0.875 0.625 CA 0.940 9 residues pruned to eliminate duplicates Z: 11 7.887 1.778 0.468 0.491 0.900 0.500 CB 1.072 11 residues pruned to eliminate duplicates Z: 9 8.581 1.945 0.626 0.458 1.000 0.500 CA 1.001 9 residues pruned to eliminate duplicates Z: 9 5.877 1.868 0.591 0.345 0.875 0.500 CA 0.946 9 residues pruned to eliminate duplicates Z: 50 22.816 1.970 0.419 0.506 0.939 0.612 CA 1.234 47 residues pruned to eliminate duplicates Z: 29 17.992 2.018 0.476 0.625 0.857 0.643 CA 1.184 29 residues pruned to eliminate duplicates Z: 23 20.935 2.084 0.509 0.763 0.955 0.591 CA 1.178 23 residues pruned to eliminate duplicates Z: 49 31.145 2.078 0.597 0.660 0.896 0.604 CA 1.303 70 residues pruned to eliminate duplicates Z: 18 23.353 2.129 0.510 0.905 1.000 0.882 CA 1.253 18 residues pruned to eliminate duplicates Z: 37 35.174 2.150 0.633 0.725 0.972 0.667 CA 1.402 49 residues pruned to eliminate duplicates Z: 15 25.723 2.141 0.672 0.877 1.000 0.429 CA 1.395 16 residues pruned to eliminate duplicates Z: 16 24.899 2.211 0.600 0.911 1.000 0.533 CA 1.287 16 residues pruned to eliminate duplicates Z: 19 21.416 2.148 0.403 0.936 0.944 0.667 CA 1.235 19 residues pruned to eliminate duplicates Z: 18 26.745 2.204 0.608 0.917 1.000 0.588 CA 1.292 18 residues pruned to eliminate duplicates Z: 29 26.487 2.052 0.708 0.674 0.929 0.536 CA 1.310 19 residues pruned to eliminate duplicates Z: 19 27.247 2.186 0.682 0.923 0.944 0.667 CA 1.300 29 residues pruned to eliminate duplicates Z: 16 19.509 2.159 0.825 0.892 0.867 0.800 CA 1.060 16 residues pruned to eliminate duplicates Z: 20 29.094 2.164 0.729 0.895 0.947 0.632 CA 1.349 20 residues pruned to eliminate duplicates Z: 38 33.943 2.152 0.625 0.722 0.919 0.514 CA 1.421 38 residues pruned to eliminate duplicates Z: 21 21.825 1.986 0.744 0.894 0.900 0.500 CA 1.123 21 residues pruned to eliminate duplicates Z: 23 18.791 2.068 0.563 0.697 0.955 0.682 CA 1.084 23 residues pruned to eliminate duplicates Z: 22 25.258 2.129 0.592 0.803 0.952 0.619 CA 1.310 22 residues pruned to eliminate duplicates Z: 20 19.040 2.109 0.564 0.780 0.842 0.632 CA 1.228 20 residues pruned to eliminate duplicates Z: 24 26.591 2.131 0.741 0.774 0.870 0.522 CA 1.349 24 residues pruned to eliminate duplicates Z: 22 23.659 2.105 0.721 0.795 0.952 0.619 CA 1.155 22 residues pruned to eliminate duplicates Z: 23 28.909 2.124 0.789 0.790 1.000 0.636 CA 1.258 23 residues pruned to eliminate duplicates Z: 25 23.020 2.058 0.715 0.755 0.917 0.667 CA 1.157 25 residues pruned to eliminate duplicates Z: 49 30.167 2.071 0.542 0.652 0.896 0.583 CA 1.321 49 residues pruned to eliminate duplicates Z: 59 29.336 2.018 0.510 0.588 0.862 0.500 CA 1.348 49 residues pruned to eliminate duplicates Z: 15 16.699 2.028 0.375 0.749 1.000 0.714 CA 1.281 15 residues pruned to eliminate duplicates Z: 59 29.995 2.036 0.540 0.623 0.862 0.586 CA 1.298 59 residues pruned to eliminate duplicates Z: 48 30.958 2.113 0.614 0.688 0.851 0.574 CA 1.310 48 residues pruned to eliminate duplicates Z: 9 9.005 2.145 0.426 0.633 1.000 0.875 CA 0.918 9 residues pruned to eliminate duplicates Z: 50 32.130 2.075 0.674 0.637 0.857 0.490 CA 1.356 50 residues pruned to eliminate duplicates Z: 14 17.665 2.096 0.617 0.697 0.923 0.615 CA 1.308 14 residues pruned to eliminate duplicates Z: 27 22.120 2.047 0.623 0.574 0.846 0.500 CA 1.436 24 residues pruned to eliminate duplicates Z: 13 24.848 2.146 0.717 0.817 1.000 0.583 CA 1.479 13 residues pruned to eliminate duplicates Z: 49 31.054 2.084 0.640 0.665 0.854 0.479 CA 1.318 49 residues pruned to eliminate duplicates Z: 84 39.710 1.991 0.545 0.612 0.928 0.578 CB 1.374 123 residues pruned to eliminate duplicates Z: 11 21.022 2.210 0.660 0.848 0.900 0.400 CB 1.493 11 residues pruned to eliminate duplicates Z: 52 33.789 2.054 0.558 0.626 0.961 0.529 CA 1.367 52 residues pruned to eliminate duplicates Z: 48 34.999 2.108 0.686 0.671 0.894 0.447 CA 1.372 48 residues pruned to eliminate duplicates Z: 21 13.574 1.964 0.490 0.479 0.850 0.300 CB 1.247 21 residues pruned to eliminate duplicates Z: 49 30.387 2.042 0.654 0.626 0.917 0.438 CA 1.258 49 residues pruned to eliminate duplicates Z: 11 7.145 1.924 0.597 0.503 0.700 0.300 CB 1.047 Z: 9 9.715 1.762 0.635 0.770 0.875 0.375 CA 1.073 11 residues pruned to eliminate duplicates Z: 11 14.223 1.733 0.577 0.870 1.000 0.900 CA 1.201 9 residues pruned to eliminate duplicates Z: 11 11.855 1.767 0.434 0.842 1.000 0.600 CA 1.103 11 residues pruned to eliminate duplicates Z: 17 11.576 1.829 0.697 0.437 0.812 0.438 CB 1.224 11 residues pruned to eliminate duplicates Z: 11 14.431 1.791 0.625 0.859 1.000 0.800 CA 1.154 11 residues pruned to eliminate duplicates Z: 10 4.545 1.492 0.863 0.201 0.889 0.222 CA 0.875 10 residues pruned to eliminate duplicates Z: 13 13.100 1.941 0.599 0.627 0.917 0.583 CB 1.179 13 residues pruned to eliminate duplicates Z: 30 26.060 2.197 0.348 0.658 0.931 0.690 CA 1.516 30 residues pruned to eliminate duplicates Z: 30 29.100 2.166 0.351 0.715 0.966 0.793 CA 1.575 30 residues pruned to eliminate duplicates Z: 34 30.623 2.181 0.415 0.624 0.970 0.576 CA 1.584 34 residues pruned to eliminate duplicates Z: 23 28.549 2.113 0.544 0.799 1.000 0.682 CB 1.436 23 residues pruned to eliminate duplicates Z: 34 32.873 2.109 0.611 0.621 0.939 0.667 CA 1.599 34 residues pruned to eliminate duplicates Z: 30 31.859 2.237 0.566 0.640 0.931 0.552 CA 1.591 30 residues pruned to eliminate duplicates Z: 32 28.030 2.172 0.376 0.625 0.935 0.516 CA 1.601 32 residues pruned to eliminate duplicates Z: 34 33.667 2.191 0.517 0.626 0.939 0.576 CA 1.667 32 residues pruned to eliminate duplicates Z: 22 29.722 2.184 0.620 0.866 0.952 0.619 CB 1.409 22 residues pruned to eliminate duplicates Z: 32 33.408 2.161 0.527 0.677 0.968 0.613 CA 1.597 32 residues pruned to eliminate duplicates Z: 37 26.314 2.099 0.425 0.581 0.889 0.556 CA 1.525 37 residues pruned to eliminate duplicates Z: 29 39.827 2.265 0.651 0.712 1.000 0.643 CA 1.660 29 residues pruned to eliminate duplicates Z: 31 34.138 2.175 0.540 0.676 0.967 0.500 CB 1.637 31 residues pruned to eliminate duplicates Z: 30 32.455 2.236 0.488 0.666 0.966 0.517 CA 1.609 30 residues pruned to eliminate duplicates Z: 29 34.986 2.243 0.563 0.694 1.000 0.500 CA 1.580 29 residues pruned to eliminate duplicates Z: 29 39.700 2.264 0.739 0.710 0.964 0.643 CA 1.633 34 residues pruned to eliminate duplicates Z: 23 34.788 2.147 0.967 0.874 1.000 0.409 CB 1.279 22 residues pruned to eliminate duplicates Z: 19 32.572 2.204 0.841 0.909 1.000 0.556 CB 1.343 19 residues pruned to eliminate duplicates Z: 31 31.920 2.157 0.664 0.637 0.900 0.467 CA 1.587 31 residues pruned to eliminate duplicates Z: 32 36.699 2.141 0.769 0.664 1.000 0.581 CB 1.495 32 residues pruned to eliminate duplicates Z: 30 37.913 2.207 0.650 0.697 0.966 0.621 CA 1.673 30 residues pruned to eliminate duplicates Z: 32 37.554 2.121 0.735 0.686 0.968 0.548 CA 1.597 32 residues pruned to eliminate duplicates Z: 30 38.686 2.216 0.670 0.673 1.000 0.448 CA 1.654 30 residues pruned to eliminate duplicates Z: 30 35.513 2.205 0.559 0.725 0.966 0.517 CB 1.622 30 residues pruned to eliminate duplicates Z: 30 29.126 2.195 0.544 0.683 0.897 0.379 CB 1.505 30 residues pruned to eliminate duplicates Z: 24 12.779 1.877 0.320 0.333 0.826 0.435 CA 1.562 24 residues pruned to eliminate duplicates Z: 22 13.790 1.942 0.347 0.330 0.905 0.476 CA 1.533 26 residues pruned to eliminate duplicates Z: 8 6.834 1.731 0.396 0.555 1.000 0.571 CB 1.013 8 residues pruned to eliminate duplicates Z: 21 12.498 1.977 0.427 0.287 0.800 0.400 CB 1.573 21 residues pruned to eliminate duplicates Z: 22 14.215 1.981 0.420 0.327 0.857 0.429 CB 1.555 24 residues pruned to eliminate duplicates Z: 6 7.355 1.721 0.546 0.431 1.000 0.800 CA 1.328 6 residues pruned to eliminate duplicates Z: 21 14.423 2.034 0.313 0.368 0.850 0.400 CB 1.637 21 residues pruned to eliminate duplicates Z: 22 13.492 1.911 0.488 0.275 0.857 0.429 N 1.558 22 residues pruned to eliminate duplicates Z: 24 11.739 1.870 0.442 0.246 0.826 0.522 CB 1.473 24 residues pruned to eliminate duplicates Z: 21 14.355 1.976 0.461 0.293 0.850 0.400 CB 1.649 20 residues pruned to eliminate duplicates Z: 6 5.150 1.963 -0.029 0.271 1.000 0.400 C 1.566 6 residues pruned to eliminate duplicates Z: 24 11.072 1.817 0.397 0.299 0.783 0.391 N 1.454 24 residues pruned to eliminate duplicates Z: 23 12.180 1.911 0.417 0.295 0.773 0.409 CB 1.562 23 residues pruned to eliminate duplicates Z: 23 9.334 1.861 0.319 0.264 0.727 0.364 N 1.459 23 residues pruned to eliminate duplicates Z: 24 12.365 1.876 0.334 0.363 0.870 0.478 CB 1.374 24 residues pruned to eliminate duplicates Z: 23 13.204 1.886 0.389 0.331 0.909 0.500 CB 1.423 23 residues pruned to eliminate duplicates Z: 24 12.016 1.889 0.449 0.285 0.783 0.391 N 1.490 24 residues pruned to eliminate duplicates Z: 7 4.942 1.502 0.392 0.351 1.000 0.667 CB 1.134 7 residues pruned to eliminate duplicates Z: 6 6.187 1.756 0.643 0.440 0.800 0.800 CA 1.275 6 residues pruned to eliminate duplicates Z: 8 5.521 1.966 0.093 0.436 0.714 0.571 CB 1.452 8 residues pruned to eliminate duplicates Z: 7 9.180 2.150 0.099 0.579 0.833 0.500 N 1.764 7 residues pruned to eliminate duplicates Z: 6 4.375 1.684 0.019 0.605 1.000 0.400 CB 1.032 6 residues pruned to eliminate duplicates Z: 20 10.553 1.771 0.467 0.432 0.737 0.474 CB 1.358 19 residues pruned to eliminate duplicates Z: 7 5.402 1.531 0.198 0.566 1.000 0.333 CA 1.128 7 residues pruned to eliminate duplicates Z: 17 12.462 1.865 0.389 0.563 0.812 0.438 CB 1.393 20 residues pruned to eliminate duplicates Z: 7 3.944 1.853 0.201 0.603 0.667 0.000 CB 0.984 7 residues pruned to eliminate duplicates Z: 17 10.990 1.905 0.419 0.525 0.812 0.312 CB 1.221 17 residues pruned to eliminate duplicates Z: 10 11.762 1.837 0.688 0.481 0.889 0.667 CB 1.450 9 residues pruned to eliminate duplicates Z: 7 5.851 1.855 0.731 0.549 0.833 0.667 CB 0.851 7 residues pruned to eliminate duplicates Z: 9 12.539 1.948 0.692 0.645 0.875 0.625 CB 1.342 9 residues pruned to eliminate duplicates Z: 8 11.355 1.997 0.741 0.608 0.857 0.714 CB 1.300 8 residues pruned to eliminate duplicates Z: 8 10.841 1.986 0.867 0.567 0.714 0.714 CB 1.450 8 residues pruned to eliminate duplicates Z: 7 14.537 2.058 0.790 0.645 1.000 0.667 CB 1.407 7 residues pruned to eliminate duplicates Z: 6 4.386 1.956 0.084 0.262 0.800 0.200 CB 1.517 Z: 7 7.040 2.061 0.481 0.286 1.000 0.667 CB 1.199 5 residues pruned to eliminate duplicates Z: 12 9.377 1.749 0.365 0.481 1.000 0.364 CB 1.207 8 residues pruned to eliminate duplicates Z: 10 6.436 1.573 0.512 0.513 0.889 0.333 CB 1.002 9 residues pruned to eliminate duplicates Z: 8 4.818 1.641 0.176 0.438 0.857 0.429 CB 1.173 8 residues pruned to eliminate duplicates Z: 15 5.596 1.711 0.424 0.292 0.571 0.286 N 1.357 15 residues pruned to eliminate duplicates Z: 10 7.113 2.071 0.326 0.425 0.556 0.444 CA 1.679 10 residues pruned to eliminate duplicates Z: 12 8.917 2.071 0.272 0.388 0.727 0.636 CA 1.581 12 residues pruned to eliminate duplicates Z: 15 7.320 1.824 0.451 0.289 0.786 0.571 CA 1.192 6 1.460 1.597 -0.035 0.354 0.800 0.400 N 0.620 ? Z: 6 4.075 1.666 0.266 0.424 0.800 0.800 CA 1.170 6 residues pruned to eliminate duplicates Z: 17 11.852 2.104 0.340 0.406 0.750 0.500 CB 1.546 13 residues pruned to eliminate duplicates Z: 6 4.085 1.807 0.185 0.334 0.800 0.400 CA 1.279 6 residues pruned to eliminate duplicates Z: 12 16.379 2.230 0.493 0.567 0.909 0.636 CB 1.530 16 residues pruned to eliminate duplicates Z: 9 7.147 1.294 0.861 0.575 0.875 0.625 O 1.115 9 residues pruned to eliminate duplicates Z: 22 9.204 1.784 0.418 0.282 0.762 0.571 CB 1.332 22 residues pruned to eliminate duplicates Z: 23 10.592 1.838 0.358 0.309 0.818 0.455 CA 1.366 23 residues pruned to eliminate duplicates Z: 13 9.147 1.940 0.314 0.358 0.917 0.583 CB 1.317 13 residues pruned to eliminate duplicates Z: 18 6.246 1.802 0.194 0.233 0.706 0.412 CB 1.361 18 residues pruned to eliminate duplicates Z: 19 10.471 1.871 0.530 0.284 0.833 0.500 CB 1.320 19 residues pruned to eliminate duplicates Z: 27 12.640 1.858 0.314 0.348 0.846 0.500 N 1.414 27 residues pruned to eliminate duplicates Z: 14 8.973 1.842 0.425 0.388 0.846 0.615 CB 1.262 14 residues pruned to eliminate duplicates Z: 19 11.493 1.827 0.602 0.441 0.833 0.722 CB 1.181 19 residues pruned to eliminate duplicates Z: 17 8.146 1.718 0.356 0.290 0.812 0.625 CB 1.362 17 residues pruned to eliminate duplicates Z: 8 3.816 1.632 0.455 0.071 0.857 0.429 N 1.239 8 residues pruned to eliminate duplicates Z: 29 11.683 1.837 0.400 0.401 0.786 0.500 CB 1.213 29 residues pruned to eliminate duplicates Z: 14 9.055 1.856 0.292 0.371 0.846 0.538 CB 1.421 14 residues pruned to eliminate duplicates Z: 28 14.815 1.930 0.462 0.329 0.778 0.519 CB 1.567 28 residues pruned to eliminate duplicates Z: 17 11.086 1.888 0.553 0.329 0.875 0.375 CA 1.304 17 residues pruned to eliminate duplicates Z: 7 3.431 1.589 0.376 0.403 0.833 0.500 CA 0.851 7 residues pruned to eliminate duplicates Z: 14 13.931 1.873 0.796 0.394 0.923 0.615 CA 1.392 14 residues pruned to eliminate duplicates Z: 18 10.521 1.730 0.678 0.336 0.824 0.353 CA 1.276 18 residues pruned to eliminate duplicates Z: 14 8.950 1.864 0.550 0.325 0.846 0.308 CB 1.231 14 residues pruned to eliminate duplicates Z: 15 10.393 1.694 0.698 0.368 0.929 0.500 CA 1.197 15 residues pruned to eliminate duplicates Z: 18 14.873 1.791 0.772 0.431 0.882 0.412 CA 1.383 16 residues pruned to eliminate duplicates 518 residues left after pruning, divided into chains as follows: A: 9 B: 6 C: 10 D: 10 E: 14 F: 14 G: 11 H: 15 I: 118 J: 10 K: 17 L: 13 M: 8 N: 16 O: 27 P: 76 Q: 9 R: 30 S: 22 T: 8 U: 18 V: 42 W: 15 CC for partial structure against native data = 17.40 % ------------------------------------------------------------------------------ Global autotracing cycle 10 = 0.300, Contrast = 0.409, Connect. = 0.678 for dens.mod. cycle 1 = 0.300, Contrast = 0.474, Connect. = 0.700 for dens.mod. cycle 2 = 0.300, Contrast = 0.545, Connect. = 0.735 for dens.mod. cycle 3 = 0.300, Contrast = 0.554, Connect. = 0.741 for dens.mod. cycle 4 = 0.300, Contrast = 0.562, Connect. = 0.746 for dens.mod. cycle 5 = 0.300, Contrast = 0.567, Connect. = 0.750 for dens.mod. cycle 6 = 0.300, Contrast = 0.571, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.574, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.576, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.577, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6833 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1172 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 23.499 2.032 0.653 0.912 1.000 0.600 CB 1.280 B: 12 18.273 2.150 0.500 0.609 1.000 0.818 CB 1.541 C: 16 14.134 1.965 0.246 0.499 0.933 0.667 CA 1.599 D: 17 12.780 1.992 0.239 0.527 0.875 0.625 CA 1.441 E: 22 31.448 2.108 0.409 0.921 1.000 0.762 CA 1.626 F: 21 32.283 2.191 0.537 0.899 0.950 0.700 CA 1.613 G: 21 36.084 2.125 0.581 0.921 1.000 0.850 CA 1.691 22 residues pruned to eliminate duplicates H: 18 23.460 1.981 0.614 0.895 1.000 0.765 CB 1.276 16 residues pruned to eliminate duplicates I: 22 33.365 2.224 0.492 0.865 1.000 0.762 CB 1.608 21 residues pruned to eliminate duplicates J: 11 6.064 1.684 0.168 0.320 0.900 0.600 C 1.321 K: 22 34.344 2.169 0.526 0.914 1.000 0.762 CA 1.602 22 residues pruned to eliminate duplicates L: 21 32.740 2.312 0.384 0.906 0.950 0.800 CB 1.712 21 residues pruned to eliminate duplicates M: 21 32.927 2.283 0.324 0.909 1.000 0.850 CA 1.729 21 residues pruned to eliminate duplicates N: 17 19.662 2.123 0.575 0.686 0.875 0.625 CB 1.417 O: 55 41.526 2.234 0.655 0.591 0.889 0.537 CA 1.576 22 residues pruned to eliminate duplicates P: 21 40.878 2.266 0.720 0.901 1.000 0.800 CA 1.673 21 residues pruned to eliminate duplicates Q: 21 38.607 2.339 0.602 0.901 0.950 0.700 CB 1.731 21 residues pruned to eliminate duplicates R: 13 14.719 2.125 0.283 0.777 1.000 0.583 CA 1.220 S: 30 20.308 2.096 0.492 0.430 0.931 0.483 CB 1.392 27 residues pruned to eliminate duplicates T: 12 21.306 2.124 0.531 0.845 1.000 0.727 CB 1.469 13 residues pruned to eliminate duplicates U: 16 10.915 1.953 0.458 0.381 0.867 0.667 CB 1.296 V: 16 17.778 2.052 0.466 0.597 1.000 0.800 CB 1.391 16 residues pruned to eliminate duplicates W: 20 34.218 2.295 0.449 0.880 1.000 0.474 CB 1.711 30 residues pruned to eliminate duplicates X: 21 31.443 2.278 0.369 0.906 0.950 0.750 CB 1.688 21 residues pruned to eliminate duplicates Y: 14 29.914 2.297 0.663 0.926 1.000 0.846 CB 1.523 18 residues pruned to eliminate duplicates Z: 12 11.019 2.066 0.115 0.589 0.909 0.636 CB 1.457 Z: 16 10.233 1.797 0.486 0.406 0.867 0.533 CB 1.260 Z: 23 33.974 2.115 0.404 0.928 1.000 0.909 CB 1.709 23 residues pruned to eliminate duplicates Z: 44 35.899 2.242 0.563 0.638 0.860 0.419 CB 1.596 44 residues pruned to eliminate duplicates Z: 22 31.114 2.227 0.351 0.893 1.000 0.571 CB 1.620 22 residues pruned to eliminate duplicates Z: 9 7.093 1.915 0.390 0.875 0.875 0.500 CB 0.783 3 residues pruned to eliminate duplicates Z: 21 23.270 1.995 0.525 0.930 1.000 0.750 CA 1.196 Z: 15 19.638 1.783 1.073 0.833 0.929 0.643 CB 1.148 12 residues pruned to eliminate duplicates Z: 21 36.354 2.276 0.572 0.933 0.950 0.450 CB 1.669 21 residues pruned to eliminate duplicates Z: 22 36.695 2.122 0.639 0.924 0.952 0.619 CB 1.698 22 residues pruned to eliminate duplicates Z: 20 28.145 2.292 0.600 0.858 0.789 0.316 CB 1.642 20 residues pruned to eliminate duplicates Z: 17 10.887 1.946 0.425 0.362 0.812 0.562 CB 1.401 16 residues pruned to eliminate duplicates Z: 7 11.812 1.988 0.504 0.790 0.833 0.667 CA 1.500 5 residues pruned to eliminate duplicates Z: 11 12.582 2.034 0.479 0.499 0.900 0.600 CB 1.471 12 residues pruned to eliminate duplicates Z: 21 39.122 2.336 0.501 0.893 1.000 0.700 CB 1.790 21 residues pruned to eliminate duplicates Z: 21 33.997 2.270 0.553 0.880 0.900 0.500 CA 1.736 21 residues pruned to eliminate duplicates Z: 11 19.138 1.912 0.649 0.879 1.000 0.800 CA 1.392 10 residues pruned to eliminate duplicates Z: 19 22.620 2.116 0.631 0.917 0.944 0.667 CA 1.155 20 residues pruned to eliminate duplicates Z: 19 27.950 2.275 0.654 0.876 0.778 0.500 CB 1.636 19 residues pruned to eliminate duplicates Z: 13 9.354 1.782 0.642 0.281 0.833 0.583 CA 1.418 Z: 20 32.868 2.132 0.656 0.936 0.947 0.895 CA 1.570 20 residues pruned to eliminate duplicates Z: 12 14.334 2.013 0.480 0.534 0.909 0.727 N 1.543 Z: 12 13.920 2.122 0.448 0.793 0.818 0.727 CB 1.290 10 residues pruned to eliminate duplicates Z: 22 34.950 2.127 0.571 0.909 1.000 0.810 CA 1.620 22 residues pruned to eliminate duplicates Z: 11 15.079 2.133 0.471 0.548 0.900 0.700 CA 1.611 Z: 9 10.925 2.071 0.696 0.411 0.875 0.375 CB 1.379 Z: 9 11.962 2.009 0.072 0.797 0.875 0.625 CA 1.730 9 residues pruned to eliminate duplicates Z: 22 39.765 2.115 0.801 0.916 1.000 0.714 CA 1.609 22 residues pruned to eliminate duplicates Z: 15 9.507 1.832 0.617 0.373 0.929 0.571 CA 1.058 13 residues pruned to eliminate duplicates Z: 20 27.279 2.211 0.543 0.842 0.947 0.684 CA 1.443 20 residues pruned to eliminate duplicates Z: 23 10.194 2.073 0.170 0.321 0.682 0.500 CB 1.600 Z: 15 17.091 2.051 0.417 0.587 1.000 0.643 CB 1.446 15 residues pruned to eliminate duplicates Z: 17 14.711 2.003 0.405 0.387 0.875 0.625 N 1.684 12 residues pruned to eliminate duplicates Z: 18 20.511 2.048 0.648 0.658 0.941 0.529 CB 1.352 18 residues pruned to eliminate duplicates Z: 9 7.065 1.818 0.458 0.512 1.000 0.625 CB 0.931 Z: 8 10.293 1.860 1.054 0.508 0.714 0.571 CA 1.413 8 residues pruned to eliminate duplicates Z: 23 28.245 2.176 0.482 0.838 0.955 0.682 CB 1.462 23 residues pruned to eliminate duplicates Z: 12 14.114 2.115 0.249 0.868 1.000 0.727 CB 1.178 12 residues pruned to eliminate duplicates Z: 15 15.888 1.917 0.423 0.831 0.929 0.786 CA 1.260 14 residues pruned to eliminate duplicates Z: 11 8.119 1.824 0.350 0.459 1.000 0.600 CB 1.087 9 residues pruned to eliminate duplicates Z: 19 19.380 2.090 0.272 0.873 1.000 0.778 CA 1.251 19 residues pruned to eliminate duplicates Z: 8 11.937 1.854 0.631 0.564 0.857 0.429 CB 1.637 Z: 14 9.695 1.840 0.184 0.546 0.923 0.615 CB 1.279 12 residues pruned to eliminate duplicates Z: 12 8.254 1.800 0.430 0.481 0.727 0.455 CB 1.356 Z: 10 7.509 1.740 0.184 0.608 1.000 0.778 CB 1.096 Z: 13 10.913 2.043 0.296 0.510 0.833 0.667 CB 1.414 13 residues pruned to eliminate duplicates Z: 9 10.176 1.844 0.580 0.806 0.875 0.750 CB 1.080 Z: 22 27.949 2.170 0.350 0.861 0.952 0.714 CB 1.606 22 residues pruned to eliminate duplicates Z: 14 7.153 1.925 0.424 0.353 0.692 0.538 CB 1.226 14 residues pruned to eliminate duplicates Z: 10 9.070 2.274 0.037 0.771 0.778 0.667 CB 1.297 10 residues pruned to eliminate duplicates Z: 12 16.438 2.211 0.466 0.597 0.909 0.909 CB 1.534 17 residues pruned to eliminate duplicates Z: 22 26.162 2.222 0.301 0.854 0.905 0.667 CB 1.613 22 residues pruned to eliminate duplicates Z: 18 10.822 1.807 0.295 0.568 0.941 0.706 CB 1.116 14 residues pruned to eliminate duplicates Z: 13 9.721 1.732 0.610 0.527 0.750 0.667 CB 1.306 8 residues pruned to eliminate duplicates Z: 14 21.753 2.041 0.621 0.876 1.000 0.846 CA 1.326 15 residues pruned to eliminate duplicates Z: 10 8.286 1.983 0.172 0.416 0.778 0.556 N 1.668 Z: 8 6.370 1.805 0.314 0.627 0.857 0.571 CA 1.051 Z: 21 20.408 1.975 0.714 0.915 0.950 0.700 CA 1.003 19 residues pruned to eliminate duplicates Z: 11 17.066 2.236 0.265 0.854 1.000 0.700 CB 1.409 11 residues pruned to eliminate duplicates Z: 14 19.626 2.070 0.423 0.654 1.000 0.846 CA 1.601 12 residues pruned to eliminate duplicates Z: 19 39.457 2.233 0.996 0.901 0.889 0.500 CB 1.675 19 residues pruned to eliminate duplicates Z: 18 40.413 2.314 0.863 0.944 1.000 0.588 CB 1.574 19 residues pruned to eliminate duplicates Z: 16 22.245 2.086 0.753 0.547 1.000 0.733 CB 1.501 14 residues pruned to eliminate duplicates Z: 16 11.382 1.869 0.571 0.381 0.733 0.600 CB 1.550 Z: 16 22.428 1.897 0.680 0.854 0.867 0.667 CB 1.550 15 residues pruned to eliminate duplicates Z: 6 4.222 1.792 0.437 0.622 0.800 0.600 CB 0.817 Z: 8 10.258 2.085 0.146 0.781 0.714 0.714 CA 1.774 8 residues pruned to eliminate duplicates Z: 14 25.474 2.072 0.714 0.882 1.000 0.923 CA 1.439 14 residues pruned to eliminate duplicates Z: 8 4.926 1.656 0.390 0.424 0.714 0.571 CB 1.225 Z: 11 10.425 1.939 0.377 0.502 0.900 0.700 CB 1.369 11 residues pruned to eliminate duplicates Z: 22 12.984 1.984 0.347 0.342 0.857 0.333 CB 1.469 17 residues pruned to eliminate duplicates Z: 21 33.112 2.260 0.487 0.872 1.000 0.700 CB 1.606 21 residues pruned to eliminate duplicates Z: 23 31.895 2.085 0.482 0.919 0.955 0.909 CA 1.624 24 residues pruned to eliminate duplicates Z: 20 27.602 2.142 0.668 0.892 0.789 0.632 CB 1.613 20 residues pruned to eliminate duplicates Z: 13 11.990 2.137 0.416 0.399 0.917 0.500 CA 1.388 9 residues pruned to eliminate duplicates Z: 12 17.122 2.014 0.375 0.723 0.909 0.455 CB 1.677 12 residues pruned to eliminate duplicates Z: 20 19.534 2.280 0.724 0.293 0.895 0.368 CA 1.606 12 residues pruned to eliminate duplicates Z: 11 14.321 1.825 0.375 0.810 1.000 0.500 CA 1.378 11 residues pruned to eliminate duplicates Z: 7 4.113 2.011 0.170 0.320 0.667 0.500 CB 1.306 5 residues pruned to eliminate duplicates Z: 7 4.766 1.649 0.355 0.384 0.833 0.333 CB 1.182 Z: 15 10.490 1.934 0.614 0.398 0.643 0.500 CA 1.556 15 residues pruned to eliminate duplicates Z: 22 24.891 2.218 0.422 0.819 0.952 0.619 CB 1.371 22 residues pruned to eliminate duplicates Z: 6 5.896 1.857 0.606 0.641 1.000 0.400 CB 0.775 Z: 20 25.836 2.059 0.797 0.921 1.000 0.737 CA 1.127 20 residues pruned to eliminate duplicates Z: 22 41.562 2.145 0.754 0.933 1.000 0.571 CA 1.681 22 residues pruned to eliminate duplicates Z: 11 13.691 1.996 0.907 0.539 0.900 0.600 CB 1.216 11 residues pruned to eliminate duplicates Z: 19 23.470 2.007 0.470 0.880 0.944 0.667 CB 1.438 19 residues pruned to eliminate duplicates Z: 13 11.336 1.815 0.501 0.501 0.917 0.667 N 1.309 13 residues pruned to eliminate duplicates Z: 26 23.551 2.275 0.537 0.341 0.960 0.520 CB 1.668 32 residues pruned to eliminate duplicates Z: 22 40.346 2.100 0.808 0.925 1.000 0.762 CA 1.627 21 residues pruned to eliminate duplicates Z: 7 4.764 1.740 0.837 0.479 0.667 0.667 CB 0.932 Z: 29 22.026 2.100 0.410 0.589 0.857 0.607 CA 1.506 29 residues pruned to eliminate duplicates Z: 18 22.348 2.042 0.481 0.844 1.000 0.471 CB 1.333 18 residues pruned to eliminate duplicates Z: 7 4.854 1.670 0.420 0.363 0.833 0.333 CA 1.162 Z: 6 3.031 1.745 -0.213 0.692 1.000 0.800 CB 0.828 6 residues pruned to eliminate duplicates Z: 37 20.622 1.982 0.487 0.610 0.917 0.500 CA 1.146 27 residues pruned to eliminate duplicates Z: 24 22.258 2.336 0.700 0.296 0.913 0.478 CA 1.608 24 residues pruned to eliminate duplicates Z: 22 28.888 2.225 0.396 0.904 1.000 0.714 CA 1.446 23 residues pruned to eliminate duplicates Z: 15 15.565 1.983 0.664 0.892 0.929 0.643 CA 0.975 16 residues pruned to eliminate duplicates Z: 9 11.474 2.026 0.512 0.671 0.875 0.625 CB 1.292 Z: 8 10.155 2.011 0.741 0.582 0.857 0.571 CA 1.181 8 residues pruned to eliminate duplicates Z: 22 40.427 2.073 0.786 0.919 1.000 0.619 CB 1.679 22 residues pruned to eliminate duplicates Z: 13 19.793 2.226 0.511 0.611 0.917 0.500 CA 1.668 14 residues pruned to eliminate duplicates Z: 20 17.417 2.142 0.008 0.852 1.000 0.579 CB 1.370 20 residues pruned to eliminate duplicates Z: 11 21.990 2.250 0.862 0.842 0.900 0.800 CB 1.375 11 residues pruned to eliminate duplicates Z: 51 44.270 2.204 0.690 0.645 0.960 0.340 CB 1.529 42 residues pruned to eliminate duplicates Z: 24 11.522 1.890 0.470 0.273 0.696 0.522 CB 1.607 28 residues pruned to eliminate duplicates Z: 7 8.106 1.752 0.466 0.640 0.833 0.500 CA 1.357 7 residues pruned to eliminate duplicates Z: 11 12.686 2.031 0.224 0.626 1.000 0.900 CB 1.433 11 residues pruned to eliminate duplicates Z: 29 17.210 2.079 0.506 0.397 0.786 0.607 CB 1.473 28 residues pruned to eliminate duplicates Z: 8 11.208 2.070 0.128 0.765 0.857 0.571 CB 1.673 8 residues pruned to eliminate duplicates Z: 19 21.031 2.009 0.660 0.858 1.000 0.667 CA 1.095 19 residues pruned to eliminate duplicates Z: 32 23.295 2.063 0.351 0.663 0.871 0.677 CA 1.483 31 residues pruned to eliminate duplicates Z: 13 5.495 1.415 0.391 0.439 0.917 0.333 CB 0.936 Z: 19 25.730 2.148 0.824 0.908 0.889 0.722 CA 1.237 19 residues pruned to eliminate duplicates Z: 21 42.051 2.317 0.787 0.924 0.950 0.550 CB 1.678 21 residues pruned to eliminate duplicates Z: 10 4.244 1.808 0.378 0.360 0.778 0.444 CB 0.849 10 residues pruned to eliminate duplicates Z: 10 11.962 1.794 0.703 0.830 0.889 0.667 CA 1.103 9 residues pruned to eliminate duplicates Z: 11 17.714 2.169 0.173 0.860 1.000 0.800 CB 1.619 11 residues pruned to eliminate duplicates Z: 8 12.115 2.032 0.257 0.754 0.857 0.714 CB 1.667 8 residues pruned to eliminate duplicates Z: 10 5.746 1.767 0.124 0.408 0.778 0.333 N 1.365 11 residues pruned to eliminate duplicates Z: 21 11.051 2.015 0.324 0.287 0.800 0.500 CB 1.471 18 residues pruned to eliminate duplicates Z: 17 15.536 1.895 0.561 0.477 0.875 0.438 CA 1.537 16 residues pruned to eliminate duplicates Z: 8 6.552 1.909 0.289 0.528 0.714 0.571 CB 1.369 8 residues pruned to eliminate duplicates Z: 16 12.826 2.188 0.192 0.388 0.933 0.600 CB 1.532 17 residues pruned to eliminate duplicates Z: 6 7.179 2.031 -0.071 0.664 1.000 0.600 N 1.462 6 residues pruned to eliminate duplicates Z: 11 7.632 1.567 0.355 0.382 1.000 0.600 C 1.288 Z: 12 7.237 1.848 0.483 0.389 0.727 0.636 CB 1.232 12 residues pruned to eliminate duplicates Z: 19 22.148 1.846 0.850 0.841 0.944 0.500 CA 1.207 19 residues pruned to eliminate duplicates Z: 11 6.102 1.545 0.416 0.290 0.900 0.300 CA 1.241 Z: 10 11.293 2.153 0.181 0.808 0.778 0.667 CB 1.455 10 residues pruned to eliminate duplicates Z: 11 14.556 1.832 0.418 0.766 1.000 0.600 CA 1.400 11 residues pruned to eliminate duplicates Z: 17 13.727 2.143 0.421 0.440 0.938 0.625 CA 1.279 16 residues pruned to eliminate duplicates Z: 32 33.648 2.215 0.547 0.669 0.935 0.419 CA 1.612 32 residues pruned to eliminate duplicates Z: 12 10.880 1.810 0.504 0.454 0.909 0.727 CA 1.390 12 residues pruned to eliminate duplicates Z: 6 5.586 1.606 0.377 0.756 1.000 0.600 CA 0.899 6 residues pruned to eliminate duplicates Z: 12 10.206 1.825 0.343 0.447 0.909 0.636 CA 1.458 12 residues pruned to eliminate duplicates Z: 11 14.568 1.800 0.616 0.786 0.900 0.500 CA 1.368 11 residues pruned to eliminate duplicates Z: 14 11.036 1.855 0.587 0.458 0.769 0.615 CA 1.411 14 residues pruned to eliminate duplicates Z: 15 5.725 1.496 0.681 0.289 0.857 0.500 CB 0.900 15 residues pruned to eliminate duplicates Z: 9 8.675 1.825 0.443 0.447 0.875 0.500 CB 1.406 9 residues pruned to eliminate duplicates Z: 22 28.664 2.198 0.439 0.878 1.000 0.762 CB 1.435 22 residues pruned to eliminate duplicates Z: 15 9.552 1.732 0.714 0.377 0.786 0.500 CB 1.249 10 residues pruned to eliminate duplicates Z: 24 19.676 1.988 0.816 0.348 0.870 0.391 CA 1.541 24 residues pruned to eliminate duplicates Z: 15 10.121 1.900 0.277 0.535 0.929 0.857 CB 1.159 15 residues pruned to eliminate duplicates Z: 7 5.196 1.953 0.697 0.340 0.500 0.333 N 1.524 7 residues pruned to eliminate duplicates Z: 7 7.190 1.987 0.612 0.555 1.000 0.667 CB 0.869 7 residues pruned to eliminate duplicates Z: 8 12.089 2.165 0.406 0.702 0.857 0.571 CB 1.456 8 residues pruned to eliminate duplicates Z: 10 12.258 2.092 0.402 0.654 0.778 0.667 CB 1.552 10 residues pruned to eliminate duplicates Z: 7 3.004 1.409 0.006 0.512 1.000 0.500 CB 0.855 6 residues pruned to eliminate duplicates Z: 7 6.590 1.623 0.990 0.422 0.833 0.333 CB 1.085 Z: 13 20.338 2.049 0.789 0.850 0.917 0.667 CB 1.294 12 residues pruned to eliminate duplicates Z: 20 10.511 1.729 0.561 0.466 0.895 0.632 CB 1.034 26 residues pruned to eliminate duplicates Z: 13 13.149 2.080 0.096 0.633 1.000 0.667 CA 1.469 15 residues pruned to eliminate duplicates Z: 33 30.207 1.912 0.818 0.641 0.906 0.562 CB 1.486 33 residues pruned to eliminate duplicates Z: 16 16.134 2.047 0.313 0.585 1.000 0.733 CB 1.429 16 residues pruned to eliminate duplicates Z: 24 11.018 1.878 0.234 0.341 0.870 0.478 CB 1.355 25 residues pruned to eliminate duplicates Z: 8 8.228 1.748 1.209 0.584 0.714 0.714 CB 1.040 7 residues pruned to eliminate duplicates Z: 13 7.790 1.865 0.632 0.343 0.750 0.583 CA 1.169 13 residues pruned to eliminate duplicates Z: 20 47.735 2.209 1.081 0.938 1.000 0.526 CB 1.656 22 residues pruned to eliminate duplicates Z: 21 13.741 1.958 0.377 0.357 0.850 0.550 CB 1.565 22 residues pruned to eliminate duplicates Z: 8 5.761 1.739 0.416 0.526 0.857 0.571 CB 1.006 Z: 9 10.849 1.621 0.989 0.418 1.000 0.500 CB 1.296 Z: 10 13.917 1.959 0.652 0.554 0.889 0.667 CA 1.531 10 residues pruned to eliminate duplicates Z: 17 8.772 1.803 0.234 0.280 1.000 0.500 CB 1.264 16 residues pruned to eliminate duplicates Z: 10 5.570 1.740 0.389 0.488 1.000 0.556 CB 0.778 10 residues pruned to eliminate duplicates Z: 21 24.618 2.040 0.695 0.903 1.000 0.700 CA 1.135 21 residues pruned to eliminate duplicates Z: 9 10.260 1.794 0.351 0.709 0.875 0.625 CA 1.415 Z: 21 31.757 2.104 0.749 0.901 0.950 0.500 CB 1.450 21 residues pruned to eliminate duplicates Z: 6 6.077 1.600 0.581 0.645 0.800 0.600 C 1.173 6 residues pruned to eliminate duplicates Z: 7 6.421 1.689 0.303 0.756 1.000 0.667 CA 0.948 Z: 11 8.432 1.883 0.636 0.548 0.800 0.600 CB 1.032 Z: 9 13.683 1.959 0.513 0.693 1.000 0.750 CB 1.368 Z: 9 11.311 1.883 0.396 0.631 1.000 0.625 CB 1.344 8 residues pruned to eliminate duplicates Z: 10 11.384 1.851 0.741 0.463 1.000 0.556 N 1.223 10 residues pruned to eliminate duplicates Z: 6 8.069 1.819 0.305 0.540 1.000 0.400 CB 1.461 5 residues pruned to eliminate duplicates Z: 15 12.115 2.062 0.583 0.498 0.786 0.643 CB 1.265 15 residues pruned to eliminate duplicates Z: 19 21.715 2.057 0.578 0.882 1.000 0.611 CA 1.142 19 residues pruned to eliminate duplicates Z: 11 12.769 1.924 0.553 0.613 0.900 0.600 CB 1.349 11 residues pruned to eliminate duplicates Z: 17 11.359 1.855 0.413 0.467 0.812 0.500 CB 1.379 17 residues pruned to eliminate duplicates Z: 34 29.143 2.181 0.335 0.660 0.970 0.667 CA 1.549 45 residues pruned to eliminate duplicates Z: 6 4.381 1.462 -0.083 0.721 1.000 0.800 CB 1.196 Z: 24 19.588 2.285 0.556 0.344 0.870 0.565 CA 1.565 24 residues pruned to eliminate duplicates Z: 13 9.288 1.831 0.613 0.454 0.917 0.500 CB 1.038 12 residues pruned to eliminate duplicates Z: 9 2.241 1.395 0.144 0.318 1.000 0.500 CB 0.607 Z: 12 5.920 1.713 0.254 0.508 0.909 0.545 CB 0.907 12 residues pruned to eliminate duplicates Z: 20 42.318 2.214 0.902 0.919 1.000 0.474 CB 1.626 20 residues pruned to eliminate duplicates Z: 21 32.733 2.218 0.689 0.865 0.950 0.750 CB 1.507 21 residues pruned to eliminate duplicates Z: 6 9.240 1.867 0.488 0.655 1.000 0.600 CA 1.288 Z: 7 4.369 1.664 0.272 0.618 0.833 0.833 CB 0.905 Z: 10 15.974 1.924 0.348 0.819 1.000 0.444 CA 1.557 10 residues pruned to eliminate duplicates Z: 8 5.768 1.534 0.235 0.465 1.000 0.571 O 1.192 7 residues pruned to eliminate duplicates Z: 12 11.329 2.151 0.291 0.519 0.909 0.636 CB 1.327 12 residues pruned to eliminate duplicates Z: 9 9.444 1.967 0.253 0.718 0.875 0.625 CB 1.271 9 residues pruned to eliminate duplicates Z: 41 42.658 2.271 0.498 0.706 1.000 0.700 CA 1.644 41 residues pruned to eliminate duplicates Z: 8 5.347 1.775 0.234 0.513 0.714 0.429 N 1.275 Z: 34 28.860 2.184 0.397 0.633 0.970 0.818 CA 1.499 34 residues pruned to eliminate duplicates Z: 6 5.044 1.770 0.111 0.742 0.800 0.600 N 1.155 6 residues pruned to eliminate duplicates Z: 59 23.688 2.156 0.407 0.315 0.862 0.534 CB 1.461 47 residues pruned to eliminate duplicates Z: 6 11.367 1.781 0.705 0.661 1.000 1.000 N 1.442 6 residues pruned to eliminate duplicates Z: 8 8.542 2.025 0.320 0.621 1.000 0.571 CA 1.077 9 residues pruned to eliminate duplicates Z: 21 39.608 2.138 0.803 0.927 1.000 0.750 CB 1.610 21 residues pruned to eliminate duplicates Z: 10 9.693 1.820 0.626 0.568 0.778 0.778 CB 1.314 10 residues pruned to eliminate duplicates Z: 11 8.343 1.827 0.385 0.367 0.800 0.700 CA 1.503 13 residues pruned to eliminate duplicates Z: 9 8.045 1.871 0.344 0.631 0.750 0.500 CB 1.333 9 residues pruned to eliminate duplicates Z: 12 9.047 1.923 0.444 0.369 0.818 0.364 CB 1.381 12 residues pruned to eliminate duplicates Z: 10 5.948 1.455 0.323 0.498 0.889 0.667 CB 1.161 5 residues pruned to eliminate duplicates Z: 10 11.819 1.928 0.584 0.579 1.000 0.667 CB 1.196 10 residues pruned to eliminate duplicates Z: 22 7.289 1.558 0.434 0.362 0.810 0.524 CA 1.020 16 residues pruned to eliminate duplicates Z: 15 19.043 2.057 0.834 0.901 1.000 0.643 CA 0.963 15 residues pruned to eliminate duplicates Z: 6 4.372 1.989 0.316 0.514 0.600 0.600 CB 1.229 6 residues pruned to eliminate duplicates Z: 12 7.423 1.733 0.462 0.513 0.727 0.455 CB 1.199 12 residues pruned to eliminate duplicates Z: 16 14.874 1.955 0.504 0.554 0.933 0.533 CB 1.328 16 residues pruned to eliminate duplicates Z: 6 3.494 1.839 0.003 0.297 0.800 0.600 CB 1.327 Z: 20 32.216 2.143 0.564 0.910 1.000 0.789 CA 1.564 20 residues pruned to eliminate duplicates Z: 18 10.525 1.861 0.323 0.325 0.882 0.412 CB 1.424 18 residues pruned to eliminate duplicates Z: 58 26.975 2.197 0.474 0.333 0.860 0.544 CB 1.540 58 residues pruned to eliminate duplicates Z: 44 24.202 2.005 0.554 0.616 0.930 0.628 CA 1.141 42 residues pruned to eliminate duplicates Z: 13 11.838 1.994 0.420 0.468 0.917 0.583 CB 1.361 13 residues pruned to eliminate duplicates Z: 23 13.801 2.018 0.356 0.322 0.955 0.409 CA 1.370 23 residues pruned to eliminate duplicates Z: 9 4.835 1.773 0.074 0.386 0.750 0.500 CB 1.351 9 residues pruned to eliminate duplicates Z: 11 5.950 1.799 0.139 0.323 0.900 0.500 CA 1.240 11 residues pruned to eliminate duplicates Z: 54 22.916 2.170 0.401 0.294 0.868 0.528 CB 1.502 54 residues pruned to eliminate duplicates Z: 41 41.157 2.277 0.456 0.708 0.975 0.675 CA 1.666 41 residues pruned to eliminate duplicates Z: 20 39.573 2.202 0.824 0.917 0.947 0.526 CB 1.684 20 residues pruned to eliminate duplicates Z: 7 5.601 1.568 0.465 0.711 1.000 0.667 CA 0.821 Z: 12 9.448 2.103 0.318 0.523 0.727 0.636 CA 1.382 12 residues pruned to eliminate duplicates Z: 12 11.728 1.979 0.289 0.730 0.909 0.727 CB 1.240 17 residues pruned to eliminate duplicates Z: 17 8.038 1.885 0.350 0.315 0.688 0.438 CB 1.408 17 residues pruned to eliminate duplicates Z: 6 3.410 1.370 0.314 0.738 1.000 0.600 CB 0.684 6 residues pruned to eliminate duplicates Z: 16 17.581 1.999 0.320 0.728 1.000 0.733 CB 1.401 16 residues pruned to eliminate duplicates Z: 20 10.328 1.814 0.602 0.419 0.737 0.421 CB 1.204 11 residues pruned to eliminate duplicates Z: 6 8.492 1.936 0.371 0.743 1.000 0.600 CB 1.151 3 residues pruned to eliminate duplicates Z: 19 20.204 1.940 0.476 0.852 0.944 0.556 CB 1.302 19 residues pruned to eliminate duplicates Z: 6 2.131 1.714 -0.251 0.468 0.800 0.400 C 0.958 Z: 21 23.230 2.041 0.558 0.834 0.900 0.500 CA 1.361 21 residues pruned to eliminate duplicates Z: 6 6.697 2.027 0.054 0.525 1.000 0.600 CA 1.368 6 residues pruned to eliminate duplicates Z: 9 3.173 1.530 -0.022 0.260 0.875 0.500 CB 1.127 Z: 14 12.213 2.031 0.563 0.381 1.000 0.385 CA 1.212 14 residues pruned to eliminate duplicates Z: 14 11.946 1.888 0.425 0.487 0.923 0.769 CB 1.352 14 residues pruned to eliminate duplicates Z: 12 8.694 1.857 0.445 0.359 0.909 0.455 CB 1.251 12 residues pruned to eliminate duplicates Z: 7 2.839 1.250 0.131 0.690 0.833 0.667 N 0.826 7 residues pruned to eliminate duplicates 6 1.296 1.768 0.159 0.193 0.400 0.400 CB 1.021 ? Z: 11 18.931 2.112 0.461 0.852 1.000 0.800 CA 1.435 11 residues pruned to eliminate duplicates Z: 8 5.991 1.604 0.585 0.527 0.857 0.571 CA 1.012 Z: 17 27.385 2.133 0.699 0.814 0.875 0.688 CA 1.644 17 residues pruned to eliminate duplicates Z: 15 10.608 1.674 0.445 0.491 0.857 0.500 CA 1.380 14 residues pruned to eliminate duplicates Z: 7 3.505 1.395 0.261 0.567 0.833 0.667 CB 0.914 Z: 7 7.415 1.641 0.465 0.490 1.000 0.500 C 1.272 8 residues pruned to eliminate duplicates Z: 18 29.451 2.149 0.740 0.906 1.000 0.765 CA 1.358 18 residues pruned to eliminate duplicates 6 1.254 1.779 0.474 0.132 0.400 0.200 CB 0.845 ? Z: 6 7.063 1.779 0.402 0.822 1.000 0.800 CA 0.958 6 residues pruned to eliminate duplicates Z: 7 3.456 1.564 0.359 0.245 0.667 0.333 N 1.337 6 residues pruned to eliminate duplicates Z: 18 13.334 1.912 0.661 0.391 0.941 0.529 CB 1.214 18 residues pruned to eliminate duplicates Z: 20 34.762 2.316 0.642 0.911 0.947 0.579 CB 1.569 20 residues pruned to eliminate duplicates Z: 36 34.809 2.224 0.650 0.594 0.914 0.457 CA 1.603 36 residues pruned to eliminate duplicates Z: 7 3.508 1.504 0.533 0.418 1.000 0.500 CB 0.677 Z: 9 6.289 1.671 -0.039 0.670 0.750 0.750 CB 1.578 Z: 21 39.981 2.303 0.597 0.922 1.000 0.950 CA 1.709 21 residues pruned to eliminate duplicates Z: 10 5.072 1.545 0.764 0.356 0.889 0.556 N 0.816 Z: 28 24.144 2.069 0.466 0.637 0.963 0.704 CA 1.399 28 residues pruned to eliminate duplicates Z: 6 3.803 1.424 0.100 0.638 0.800 0.800 O 1.193 6 residues pruned to eliminate duplicates Z: 14 17.102 2.151 0.114 0.853 0.923 0.692 CB 1.585 14 residues pruned to eliminate duplicates Z: 14 18.084 1.968 0.469 0.654 1.000 0.846 CB 1.503 14 residues pruned to eliminate duplicates Z: 7 2.552 1.633 0.588 0.187 0.667 0.333 CB 0.877 Z: 8 5.864 1.423 0.661 0.518 0.857 0.429 CB 1.074 Z: 7 2.332 1.344 0.039 0.436 1.000 0.667 CB 0.728 Z: 6 2.507 1.176 0.100 0.605 0.800 0.600 N 0.980 Z: 7 4.087 1.592 -0.041 0.569 0.833 0.500 CB 1.226 Z: 10 11.428 1.873 0.637 0.478 0.889 0.556 CA 1.429 10 residues pruned to eliminate duplicates Z: 13 18.282 2.099 0.879 0.879 1.000 0.833 CA 0.970 13 residues pruned to eliminate duplicates Z: 43 43.859 2.240 0.640 0.691 0.976 0.571 CA 1.584 43 residues pruned to eliminate duplicates Z: 21 23.657 2.001 0.701 0.898 1.000 0.750 CA 1.111 21 residues pruned to eliminate duplicates Z: 15 10.917 1.882 0.729 0.346 0.786 0.571 CB 1.349 15 residues pruned to eliminate duplicates Z: 18 8.042 1.763 0.425 0.356 0.824 0.471 CB 1.101 18 residues pruned to eliminate duplicates Z: 10 5.784 1.791 0.251 0.433 1.000 0.889 CA 0.922 10 residues pruned to eliminate duplicates Z: 7 6.615 1.500 0.575 0.518 1.000 0.833 CA 1.123 Z: 7 4.836 1.656 0.323 0.474 1.000 0.667 CB 0.925 Z: 9 8.970 1.912 0.516 0.406 1.000 0.625 CA 1.207 9 residues pruned to eliminate duplicates 6 1.524 1.332 0.412 0.288 0.800 0.600 CB 0.575 ? Z: 10 4.060 1.545 0.583 0.162 0.778 0.556 CA 1.075 Z: 6 2.915 1.558 0.342 0.379 0.600 0.400 C 1.182 Z: 10 9.815 2.184 0.177 0.808 0.889 0.667 CB 1.095 10 residues pruned to eliminate duplicates 8 1.932 1.508 -0.114 0.230 0.714 0.429 CB 1.049 ? Z: 6 3.197 1.425 0.475 0.546 1.000 0.600 N 0.651 Z: 6 4.817 1.388 0.528 0.668 0.800 0.600 CB 1.087 Z: 8 2.284 1.492 -0.068 0.346 1.000 0.714 CB 0.734 7 residues pruned to eliminate duplicates Z: 15 13.866 1.914 0.341 0.691 0.929 0.714 CB 1.304 12 residues pruned to eliminate duplicates Z: 23 35.551 2.075 0.557 0.921 1.000 0.818 CA 1.651 22 residues pruned to eliminate duplicates Z: 12 4.624 1.312 0.559 0.502 0.727 0.545 N 0.936 Z: 21 22.157 2.162 0.212 0.863 1.000 0.800 CB 1.387 21 residues pruned to eliminate duplicates Z: 20 25.991 2.099 0.664 0.571 0.947 0.579 CB 1.682 20 residues pruned to eliminate duplicates Z: 18 24.501 1.944 0.849 0.841 0.765 0.294 N 1.613 18 residues pruned to eliminate duplicates Z: 10 16.536 2.053 0.658 0.886 1.000 0.444 CB 1.169 10 residues pruned to eliminate duplicates Z: 29 20.352 2.018 0.570 0.556 0.857 0.250 CB 1.342 29 residues pruned to eliminate duplicates Z: 11 14.339 1.875 0.521 0.855 0.900 0.600 CB 1.305 11 residues pruned to eliminate duplicates 9 1.817 1.715 0.271 0.263 0.500 0.125 CB 0.773 ? Z: 21 28.424 2.109 0.344 0.916 1.000 0.950 CB 1.583 21 residues pruned to eliminate duplicates Z: 12 11.816 1.918 0.301 0.790 1.000 0.545 CA 1.106 12 residues pruned to eliminate duplicates Z: 13 8.743 1.798 0.349 0.473 0.917 0.667 CB 1.167 13 residues pruned to eliminate duplicates Z: 6 5.114 1.854 -0.064 0.603 1.000 1.000 CA 1.195 6 residues pruned to eliminate duplicates Z: 22 40.261 2.154 0.691 0.926 1.000 0.667 CB 1.692 22 residues pruned to eliminate duplicates Z: 6 4.257 1.521 0.654 0.542 0.800 0.600 CB 0.908 Z: 6 2.415 1.675 -0.385 0.608 0.800 0.400 N 1.183 Z: 6 3.839 1.427 0.510 0.632 0.800 0.400 CB 0.880 Z: 7 3.040 1.500 0.071 0.342 0.833 0.167 CA 1.101 Z: 20 9.735 2.020 0.206 0.384 0.789 0.474 CB 1.314 20 residues pruned to eliminate duplicates Z: 23 39.192 2.127 0.764 0.920 0.955 0.773 CB 1.643 23 residues pruned to eliminate duplicates Z: 10 11.845 1.783 0.724 0.797 0.889 0.667 CA 1.115 10 residues pruned to eliminate duplicates Z: 6 4.148 1.574 0.226 0.445 1.000 0.600 O 1.018 6 residues pruned to eliminate duplicates Z: 12 15.593 2.126 0.397 0.647 0.909 0.909 CB 1.518 13 residues pruned to eliminate duplicates Z: 7 2.813 1.360 0.248 0.283 0.833 0.500 N 1.038 6 1.429 1.275 0.317 0.368 1.000 0.400 CB 0.438 ? Z: 6 7.883 1.944 0.048 0.746 1.000 0.600 CB 1.389 7 residues pruned to eliminate duplicates Z: 10 8.625 2.053 0.425 0.395 0.889 0.444 CA 1.235 10 residues pruned to eliminate duplicates Z: 10 2.338 1.762 0.246 0.207 0.444 0.111 CB 1.130 10 residues pruned to eliminate duplicates Z: 9 4.018 1.481 0.008 0.420 1.000 0.750 N 1.034 Z: 7 2.441 1.694 0.530 0.255 0.500 0.333 CB 1.018 Z: 20 23.648 2.102 0.353 0.804 1.000 0.789 CA 1.463 20 residues pruned to eliminate duplicates Z: 9 7.955 1.609 0.588 0.500 0.875 0.750 CB 1.258 7 residues pruned to eliminate duplicates Z: 49 30.233 1.995 0.561 0.649 0.938 0.583 CB 1.301 49 residues pruned to eliminate duplicates Z: 6 3.223 1.627 0.005 0.520 1.000 0.800 CB 0.864 Z: 11 9.126 1.771 0.303 0.467 0.900 0.900 CB 1.437 11 residues pruned to eliminate duplicates Z: 13 20.058 2.255 0.585 0.558 0.917 0.583 CB 1.670 13 residues pruned to eliminate duplicates Z: 21 9.665 1.881 0.225 0.269 0.850 0.200 CB 1.435 21 residues pruned to eliminate duplicates Z: 10 9.990 1.938 0.455 0.718 0.889 0.667 CB 1.090 10 residues pruned to eliminate duplicates Z: 9 3.507 1.636 0.422 0.262 0.875 0.500 CB 0.799 9 residues pruned to eliminate duplicates Z: 8 12.574 2.075 0.439 0.764 0.857 0.714 CA 1.469 8 residues pruned to eliminate duplicates Z: 18 10.182 1.784 0.555 0.418 0.765 0.647 CB 1.268 38 residues pruned to eliminate duplicates Z: 12 6.713 1.778 0.568 0.374 0.818 0.636 CB 1.015 12 residues pruned to eliminate duplicates Z: 9 3.313 1.428 0.351 0.343 0.625 0.375 CB 1.152 Z: 12 18.939 2.133 0.395 0.806 1.000 0.727 CB 1.469 12 residues pruned to eliminate duplicates Z: 8 3.624 1.398 0.497 0.465 0.714 0.429 N 0.949 Z: 13 12.851 1.857 0.338 0.857 1.000 0.667 CA 1.100 13 residues pruned to eliminate duplicates Z: 20 20.011 2.090 0.516 0.855 0.842 0.474 CB 1.270 20 residues pruned to eliminate duplicates Z: 8 7.315 1.510 0.529 0.456 1.000 0.429 N 1.253 2 residues pruned to eliminate duplicates Z: 25 19.873 2.266 0.554 0.343 0.875 0.500 CA 1.561 25 residues pruned to eliminate duplicates Z: 14 20.116 2.063 0.547 0.603 1.000 0.692 CA 1.585 17 residues pruned to eliminate duplicates Z: 40 23.204 2.131 0.711 0.263 0.923 0.564 CA 1.446 40 residues pruned to eliminate duplicates Z: 7 2.633 1.157 0.743 0.385 0.833 0.500 CB 0.722 6 1.058 1.487 0.083 0.137 0.600 0.400 CB 0.769 ? Z: 17 16.793 1.966 0.712 0.887 0.875 0.812 CA 1.028 17 residues pruned to eliminate duplicates 7 1.767 1.346 0.284 0.251 0.500 0.333 N 1.111 ? Z: 6 2.409 1.446 0.560 0.586 0.800 0.800 N 0.550 Z: 18 8.080 1.728 0.549 0.362 0.647 0.412 CA 1.313 14 residues pruned to eliminate duplicates Z: 19 21.925 2.113 0.593 0.897 0.889 0.556 CA 1.236 19 residues pruned to eliminate duplicates 6 1.671 1.521 0.534 0.100 0.600 0.400 C 0.890 ? Z: 6 5.075 1.873 0.154 0.527 0.800 0.600 CB 1.279 6 residues pruned to eliminate duplicates Z: 9 8.320 1.728 0.330 0.674 0.875 0.750 CA 1.246 9 residues pruned to eliminate duplicates 6 1.043 1.129 0.432 0.294 0.800 0.400 C 0.454 ? Z: 6 4.254 1.823 0.040 0.654 1.000 1.000 CA 0.869 6 1.034 1.360 -0.282 0.263 1.000 0.400 N 0.621 ? Z: 19 27.918 2.015 0.517 0.914 1.000 0.778 CA 1.522 19 residues pruned to eliminate duplicates Z: 9 11.028 1.806 0.618 0.521 0.875 0.750 N 1.493 9 residues pruned to eliminate duplicates 7 1.901 1.238 0.146 0.362 1.000 0.333 N 0.635 ? 7 1.405 1.320 0.072 0.357 0.667 0.500 CB 0.710 ? Z: 32 40.513 2.264 0.798 0.640 0.968 0.516 CA 1.620 32 residues pruned to eliminate duplicates Z: 41 20.425 2.085 0.377 0.458 0.750 0.300 CB 1.565 46 residues pruned to eliminate duplicates Z: 11 9.941 1.741 0.587 0.418 0.900 0.500 CA 1.377 11 residues pruned to eliminate duplicates Z: 25 10.561 1.822 0.434 0.267 0.792 0.417 CB 1.359 25 residues pruned to eliminate duplicates Z: 19 25.063 2.253 0.716 0.882 0.722 0.167 CB 1.531 19 residues pruned to eliminate duplicates Z: 13 9.644 1.741 0.331 0.479 0.917 0.833 CA 1.339 13 residues pruned to eliminate duplicates Z: 19 12.431 1.798 0.336 0.417 0.944 0.444 CB 1.408 19 residues pruned to eliminate duplicates Z: 20 10.276 1.791 0.417 0.337 0.789 0.368 CB 1.406 16 residues pruned to eliminate duplicates Z: 14 11.175 1.959 0.398 0.455 0.923 0.692 CB 1.285 14 residues pruned to eliminate duplicates Z: 8 6.273 1.641 0.922 0.488 0.571 0.571 N 1.331 Z: 6 7.744 1.830 0.105 0.759 1.000 0.800 N 1.360 6 residues pruned to eliminate duplicates 6 1.894 1.435 -0.012 0.299 0.800 0.400 CB 0.935 ? Z: 11 18.630 2.235 0.276 0.915 1.000 0.900 CB 1.460 11 residues pruned to eliminate duplicates 6 1.865 1.477 0.492 0.525 0.800 0.600 CB 0.462 ? Z: 8 7.294 1.488 0.625 0.416 1.000 0.571 CA 1.245 8 residues pruned to eliminate duplicates Z: 27 17.148 1.929 0.475 0.539 0.846 0.500 CB 1.344 45 residues pruned to eliminate duplicates Z: 6 3.410 1.366 0.655 0.545 0.600 0.400 CA 1.076 Z: 9 6.269 1.776 0.199 0.794 1.000 0.750 CB 0.804 8 residues pruned to eliminate duplicates Z: 7 4.702 1.624 0.485 0.641 0.667 0.667 CA 1.047 7 residues pruned to eliminate duplicates Z: 9 10.008 1.868 0.525 0.843 1.000 0.875 CA 0.925 9 residues pruned to eliminate duplicates 6 1.417 1.285 -0.121 0.477 0.800 0.600 C 0.718 ? Z: 10 8.991 1.995 0.413 0.504 0.778 0.556 CA 1.362 10 residues pruned to eliminate duplicates 6 1.105 1.558 0.006 0.433 0.600 0.600 CB 0.563 ? Z: 17 9.906 1.780 0.323 0.509 0.938 0.625 CB 1.112 17 residues pruned to eliminate duplicates Z: 10 9.695 1.703 0.727 0.833 1.000 0.778 CB 0.824 6 1.788 1.461 0.150 0.323 0.800 0.600 CB 0.723 ? Z: 9 16.588 1.993 0.918 0.884 0.875 0.375 CB 1.266 9 residues pruned to eliminate duplicates Z: 7 3.865 1.332 0.432 0.681 0.833 0.833 CB 0.840 Z: 7 4.797 1.396 0.933 0.444 0.833 0.500 CB 0.923 Z: 8 4.004 1.783 0.338 0.410 0.571 0.429 CB 1.220 Z: 7 14.119 1.758 0.744 0.748 1.000 0.833 N 1.507 10 1.894 1.316 0.786 0.175 0.556 0.333 N 0.716 ? Z: 8 3.899 1.633 0.414 0.719 0.857 0.714 CB 0.611 8 residues pruned to eliminate duplicates Z: 16 10.126 1.764 0.345 0.514 1.000 0.533 CB 1.087 14 residues pruned to eliminate duplicates Z: 35 24.429 2.088 0.315 0.612 0.971 0.765 CA 1.414 35 residues pruned to eliminate duplicates Z: 18 18.566 1.936 0.741 0.560 0.941 0.412 CB 1.339 14 residues pruned to eliminate duplicates Z: 12 6.947 1.750 0.381 0.446 0.909 0.455 CB 1.008 11 residues pruned to eliminate duplicates Z: 8 15.210 1.997 0.718 0.883 1.000 0.857 CA 1.212 10 residues pruned to eliminate duplicates Z: 9 3.495 1.600 0.282 0.456 0.625 0.375 CB 1.008 Z: 10 7.347 1.658 0.466 0.459 0.889 0.556 CA 1.182 10 residues pruned to eliminate duplicates Z: 6 2.344 1.506 0.448 0.407 0.600 0.400 CB 0.884 Z: 8 5.480 1.650 0.661 0.606 0.714 0.571 CB 0.957 Z: 8 2.824 1.242 0.407 0.429 0.714 0.286 C 0.920 Z: 10 6.448 1.396 0.360 0.575 1.000 0.889 CB 1.053 Z: 18 11.456 1.804 0.625 0.379 0.882 0.529 CB 1.221 14 residues pruned to eliminate duplicates Z: 16 13.479 1.976 0.427 0.477 0.800 0.800 CB 1.579 16 residues pruned to eliminate duplicates 6 1.167 1.233 0.378 0.349 0.600 0.400 C 0.603 ? Z: 12 5.324 1.556 0.259 0.540 0.818 0.727 CA 0.964 12 residues pruned to eliminate duplicates Z: 6 2.464 1.212 0.481 0.473 0.800 0.600 CB 0.789 Z: 15 6.497 1.736 0.553 0.265 0.571 0.429 CB 1.474 20 residues pruned to eliminate duplicates Z: 9 6.742 2.067 0.161 0.314 0.875 0.500 CB 1.395 9 residues pruned to eliminate duplicates Z: 6 4.173 1.313 0.528 0.455 1.000 0.400 CA 0.974 Z: 7 2.618 1.349 0.856 0.350 0.833 0.500 CB 0.602 Z: 28 29.117 2.180 0.261 0.782 1.000 0.815 CA 1.589 28 residues pruned to eliminate duplicates Z: 13 8.903 1.748 0.330 0.406 0.917 0.667 N 1.331 8 1.744 1.242 0.871 0.266 0.571 0.286 CB 0.648 ? Z: 8 3.555 1.361 -0.024 0.555 0.857 0.714 CA 1.119 6 residues pruned to eliminate duplicates Z: 13 12.581 2.005 0.447 0.559 0.917 0.750 CB 1.289 13 residues pruned to eliminate duplicates Z: 14 7.085 1.797 0.055 0.446 0.846 0.615 CB 1.294 9 residues pruned to eliminate duplicates Z: 7 4.337 1.472 0.795 0.632 1.000 0.500 CB 0.592 Z: 19 6.984 1.790 0.212 0.416 0.778 0.444 CB 1.066 12 residues pruned to eliminate duplicates Z: 20 13.483 1.794 0.480 0.517 0.842 0.632 N 1.360 20 residues pruned to eliminate duplicates Z: 17 16.889 1.725 0.521 0.697 0.938 0.750 CA 1.434 17 residues pruned to eliminate duplicates Z: 9 3.236 1.507 0.453 0.459 0.750 0.750 CB 0.727 7 1.839 1.652 0.375 0.083 0.667 0.333 CB 0.850 ? 6 1.434 1.281 0.186 0.523 0.600 0.600 C 0.687 ? Z: 42 28.142 2.108 0.430 0.529 0.976 0.634 CB 1.452 42 residues pruned to eliminate duplicates Z: 11 6.660 1.967 0.153 0.513 0.700 0.400 CA 1.309 11 residues pruned to eliminate duplicates Z: 12 4.570 1.422 0.270 0.440 0.727 0.364 N 1.116 6 1.421 1.449 0.642 0.306 0.600 0.600 CB 0.553 ? Z: 25 24.646 2.225 0.791 0.392 0.917 0.542 CB 1.545 25 residues pruned to eliminate duplicates 6 1.789 1.319 0.205 0.521 1.000 0.400 CA 0.493 ? Z: 9 5.385 1.660 -0.073 0.625 0.875 0.500 CB 1.256 Z: 6 5.548 1.501 1.020 0.439 0.800 0.600 CB 1.090 Z: 22 21.217 2.029 0.585 0.540 0.952 0.333 CA 1.453 22 residues pruned to eliminate duplicates Z: 6 3.227 1.200 0.439 0.618 1.000 0.600 CB 0.748 Z: 13 9.570 1.630 0.597 0.477 0.917 0.500 CB 1.185 Z: 8 3.911 1.552 -0.147 0.470 1.000 0.714 C 1.151 Z: 6 6.473 1.897 0.063 0.706 1.000 0.600 CA 1.190 6 residues pruned to eliminate duplicates Z: 16 11.250 1.900 0.247 0.578 0.933 0.600 CB 1.218 15 residues pruned to eliminate duplicates Z: 8 4.318 1.607 0.183 0.425 0.714 0.429 CB 1.299 Z: 18 23.078 2.132 0.408 0.831 1.000 0.824 CB 1.401 18 residues pruned to eliminate duplicates Z: 7 2.308 1.388 0.383 0.340 0.833 0.667 N 0.701 Z: 21 22.125 2.129 0.376 0.786 0.950 0.600 CB 1.383 21 residues pruned to eliminate duplicates Z: 12 4.444 1.426 0.310 0.361 0.727 0.545 CB 1.145 12 residues pruned to eliminate duplicates Z: 9 3.391 1.376 0.077 0.313 1.000 0.375 C 0.995 8 residues pruned to eliminate duplicates Z: 8 2.852 1.430 0.206 0.198 0.857 0.429 CA 1.044 Z: 12 8.626 1.595 0.423 0.600 0.909 0.545 CB 1.146 12 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 15 9.229 1.694 0.555 0.201 0.929 0.571 CA 1.439 9 residues pruned to eliminate duplicates Z: 6 7.409 1.878 0.912 0.444 0.800 0.400 CA 1.222 6 residues pruned to eliminate duplicates Z: 13 10.777 2.006 0.516 0.411 0.833 0.750 CB 1.347 33 residues pruned to eliminate duplicates Z: 16 9.496 1.897 0.335 0.387 0.733 0.533 CA 1.489 16 residues pruned to eliminate duplicates Z: 15 11.488 1.981 0.463 0.360 0.786 0.571 CA 1.568 15 residues pruned to eliminate duplicates Z: 17 9.878 1.870 0.564 0.332 0.812 0.500 CA 1.249 17 residues pruned to eliminate duplicates Z: 6 6.007 1.724 0.491 0.338 1.000 0.800 CA 1.247 6 residues pruned to eliminate duplicates Z: 19 8.547 1.746 0.576 0.249 0.889 0.500 CB 1.099 13 residues pruned to eliminate duplicates Z: 7 3.573 1.562 0.130 0.438 0.667 0.500 N 1.321 7 residues pruned to eliminate duplicates Z: 17 6.803 1.676 0.244 0.282 0.812 0.375 CB 1.283 16 residues pruned to eliminate duplicates Z: 6 4.850 1.428 0.547 0.481 1.000 0.800 C 1.001 6 residues pruned to eliminate duplicates Z: 16 11.195 1.879 0.573 0.467 0.867 0.533 CB 1.166 16 residues pruned to eliminate duplicates Z: 16 11.437 1.931 0.367 0.572 0.933 0.667 CB 1.119 16 residues pruned to eliminate duplicates Z: 13 11.580 2.097 0.348 0.515 0.917 0.667 CB 1.271 13 residues pruned to eliminate duplicates Z: 14 12.069 2.041 0.308 0.548 0.923 0.769 CB 1.296 14 residues pruned to eliminate duplicates Z: 14 10.019 2.006 0.364 0.530 0.846 0.692 CB 1.165 14 residues pruned to eliminate duplicates Z: 13 9.854 2.077 0.245 0.568 0.833 0.667 CB 1.236 13 residues pruned to eliminate duplicates Z: 13 10.250 2.071 0.229 0.594 0.917 0.750 CB 1.159 13 residues pruned to eliminate duplicates Z: 14 13.239 1.959 0.407 0.556 0.923 0.615 CB 1.367 14 residues pruned to eliminate duplicates Z: 15 8.966 1.915 0.194 0.503 0.857 0.643 CB 1.219 15 residues pruned to eliminate duplicates Z: 12 13.032 2.087 0.319 0.613 1.000 0.818 CB 1.282 12 residues pruned to eliminate duplicates Z: 10 3.027 1.507 0.136 0.258 0.667 0.444 CA 1.166 4 residues pruned to eliminate duplicates Z: 8 6.401 1.684 0.896 0.408 0.714 0.429 CA 1.168 8 residues pruned to eliminate duplicates Z: 12 13.453 2.069 0.341 0.487 0.909 0.545 CA 1.629 12 residues pruned to eliminate duplicates Z: 10 17.676 2.198 0.516 0.587 0.889 0.667 CA 1.830 11 residues pruned to eliminate duplicates Z: 6 4.896 1.753 0.253 0.509 1.000 0.400 CA 0.988 6 residues pruned to eliminate duplicates Z: 15 16.863 2.057 0.500 0.567 0.857 0.571 CA 1.597 15 residues pruned to eliminate duplicates Z: 17 16.933 1.984 0.494 0.479 0.875 0.625 CA 1.666 17 residues pruned to eliminate duplicates Z: 15 18.601 2.064 0.513 0.547 1.000 0.643 CA 1.521 14 residues pruned to eliminate duplicates Z: 7 5.188 1.626 0.228 0.537 1.000 0.833 CA 1.023 7 residues pruned to eliminate duplicates Z: 15 17.650 2.070 0.549 0.557 0.857 0.500 CA 1.624 15 residues pruned to eliminate duplicates Z: 16 19.142 2.019 0.608 0.555 0.933 0.533 CA 1.546 16 residues pruned to eliminate duplicates Z: 7 6.867 1.760 0.567 0.460 0.833 0.667 CA 1.271 7 residues pruned to eliminate duplicates Z: 16 18.280 1.987 0.654 0.521 0.867 0.533 CA 1.624 16 residues pruned to eliminate duplicates Z: 6 8.693 1.811 0.163 0.689 1.000 0.600 C 1.553 6 residues pruned to eliminate duplicates Z: 15 16.918 1.977 0.519 0.481 0.929 0.643 N 1.651 15 residues pruned to eliminate duplicates Z: 10 19.528 2.059 0.781 0.502 1.000 0.444 CB 1.773 10 residues pruned to eliminate duplicates Z: 6 2.712 1.700 0.317 0.100 0.800 0.200 CB 1.128 6 residues pruned to eliminate duplicates Z: 25 19.929 2.231 0.643 0.319 0.917 0.542 CB 1.479 25 residues pruned to eliminate duplicates Z: 27 24.863 2.250 0.752 0.382 0.885 0.423 CA 1.587 27 residues pruned to eliminate duplicates Z: 8 5.695 1.504 1.089 0.297 0.714 0.286 CA 1.204 8 residues pruned to eliminate duplicates Z: 26 19.290 2.289 0.571 0.259 0.880 0.520 CA 1.606 26 residues pruned to eliminate duplicates Z: 50 22.861 2.160 0.475 0.320 0.837 0.510 CA 1.494 50 residues pruned to eliminate duplicates Z: 25 16.552 2.328 0.565 0.196 0.792 0.500 CA 1.682 25 residues pruned to eliminate duplicates Z: 24 21.871 2.271 0.668 0.276 0.957 0.478 CA 1.621 24 residues pruned to eliminate duplicates Z: 28 18.973 2.158 0.647 0.290 0.852 0.444 CA 1.526 28 residues pruned to eliminate duplicates Z: 27 21.411 2.259 0.652 0.352 0.846 0.385 CA 1.561 27 residues pruned to eliminate duplicates Z: 26 24.981 2.295 0.731 0.378 0.920 0.520 CA 1.557 26 residues pruned to eliminate duplicates Z: 24 22.684 2.335 0.705 0.249 0.957 0.609 CA 1.657 24 residues pruned to eliminate duplicates Z: 25 19.150 2.290 0.584 0.301 0.875 0.375 CA 1.537 25 residues pruned to eliminate duplicates Z: 25 18.522 2.292 0.583 0.283 0.875 0.417 CA 1.522 25 residues pruned to eliminate duplicates Z: 29 17.453 2.192 0.655 0.245 0.857 0.429 CA 1.423 29 residues pruned to eliminate duplicates Z: 36 22.667 2.193 0.703 0.268 0.943 0.343 CA 1.416 36 residues pruned to eliminate duplicates Z: 23 23.082 2.320 0.746 0.342 0.909 0.545 CB 1.588 23 residues pruned to eliminate duplicates Z: 26 18.231 2.258 0.520 0.286 0.840 0.480 CA 1.609 26 residues pruned to eliminate duplicates Z: 27 21.599 2.254 0.599 0.339 0.885 0.538 CA 1.584 27 residues pruned to eliminate duplicates Z: 24 21.796 2.331 0.639 0.330 0.870 0.565 CB 1.647 24 residues pruned to eliminate duplicates Z: 54 23.990 2.219 0.361 0.323 0.887 0.491 CB 1.494 54 residues pruned to eliminate duplicates Z: 25 19.580 2.287 0.630 0.252 0.875 0.458 CA 1.630 25 residues pruned to eliminate duplicates Z: 28 18.364 2.199 0.736 0.272 0.815 0.519 CA 1.472 28 residues pruned to eliminate duplicates Z: 56 26.962 2.170 0.487 0.331 0.891 0.545 CB 1.521 56 residues pruned to eliminate duplicates Z: 41 23.543 2.209 0.564 0.307 0.900 0.450 CA 1.483 41 residues pruned to eliminate duplicates Z: 49 21.429 2.164 0.450 0.302 0.854 0.542 CA 1.440 49 residues pruned to eliminate duplicates Z: 30 16.419 2.097 0.351 0.384 0.862 0.586 CB 1.413 30 residues pruned to eliminate duplicates Z: 30 18.394 2.134 0.486 0.357 0.862 0.483 CA 1.458 30 residues pruned to eliminate duplicates Z: 57 26.886 2.150 0.462 0.311 0.929 0.536 CB 1.517 57 residues pruned to eliminate duplicates Z: 8 5.848 1.610 0.433 0.399 1.000 0.286 CB 1.066 8 residues pruned to eliminate duplicates Z: 54 24.133 2.186 0.463 0.298 0.849 0.528 CB 1.529 54 residues pruned to eliminate duplicates Z: 12 10.697 2.150 0.566 0.329 1.000 0.636 CA 1.157 12 residues pruned to eliminate duplicates Z: 58 25.065 2.172 0.428 0.287 0.895 0.439 CB 1.521 58 residues pruned to eliminate duplicates Z: 56 26.171 2.172 0.457 0.337 0.873 0.582 CA 1.527 56 residues pruned to eliminate duplicates Z: 29 14.187 2.041 0.308 0.334 0.893 0.464 CB 1.348 29 residues pruned to eliminate duplicates Z: 28 16.436 2.147 0.268 0.400 0.852 0.667 CB 1.516 28 residues pruned to eliminate duplicates Z: 24 11.296 2.103 0.133 0.343 0.783 0.478 CB 1.499 24 residues pruned to eliminate duplicates Z: 11 10.953 2.186 0.118 0.405 0.900 0.600 CB 1.739 11 residues pruned to eliminate duplicates Z: 19 13.423 2.092 0.387 0.390 0.889 0.556 CB 1.378 19 residues pruned to eliminate duplicates Z: 17 9.371 2.070 0.255 0.366 0.812 0.562 CB 1.283 17 residues pruned to eliminate duplicates Z: 17 9.399 2.151 0.010 0.342 0.875 0.562 CB 1.470 17 residues pruned to eliminate duplicates Z: 14 7.011 2.091 0.330 0.311 0.692 0.538 CB 1.245 14 residues pruned to eliminate duplicates Z: 13 5.819 2.028 0.301 0.284 0.750 0.500 CB 1.083 13 residues pruned to eliminate duplicates Z: 30 19.954 2.028 0.456 0.501 0.862 0.621 CB 1.454 48 residues pruned to eliminate duplicates Z: 11 4.842 2.179 0.065 0.280 0.700 0.500 CB 1.209 11 residues pruned to eliminate duplicates Z: 30 14.326 2.086 0.264 0.333 0.862 0.414 CB 1.404 30 residues pruned to eliminate duplicates Z: 62 23.356 2.111 0.515 0.276 0.836 0.443 CB 1.441 62 residues pruned to eliminate duplicates Z: 22 9.447 1.949 0.209 0.278 0.857 0.524 CB 1.312 22 residues pruned to eliminate duplicates Z: 17 9.519 2.178 0.125 0.303 0.750 0.375 CB 1.613 17 residues pruned to eliminate duplicates Z: 18 11.527 2.188 0.177 0.313 0.824 0.529 CB 1.621 18 residues pruned to eliminate duplicates Z: 19 9.487 2.146 0.140 0.305 0.778 0.444 CB 1.460 19 residues pruned to eliminate duplicates Z: 26 11.425 2.041 0.164 0.367 0.800 0.480 CB 1.386 26 residues pruned to eliminate duplicates Z: 10 5.472 1.841 0.335 0.221 0.778 0.222 CA 1.323 20 residues pruned to eliminate duplicates Z: 7 5.605 1.893 0.263 0.347 0.833 0.167 CA 1.356 7 residues pruned to eliminate duplicates Z: 6 3.948 1.963 0.312 0.350 0.600 0.400 CA 1.345 Z: 7 4.517 1.707 0.391 0.475 1.000 0.667 CA 0.796 7 residues pruned to eliminate duplicates Z: 20 20.169 2.210 0.632 0.507 0.842 0.474 CA 1.513 20 residues pruned to eliminate duplicates Z: 19 23.805 2.245 0.618 0.568 0.944 0.556 CA 1.532 19 residues pruned to eliminate duplicates Z: 44 42.586 2.251 0.474 0.692 1.000 0.628 CA 1.642 44 residues pruned to eliminate duplicates Z: 43 44.087 2.286 0.482 0.694 1.000 0.667 CA 1.682 43 residues pruned to eliminate duplicates Z: 45 37.090 2.271 0.372 0.636 0.955 0.614 CA 1.655 45 residues pruned to eliminate duplicates Z: 48 39.945 2.244 0.480 0.620 0.979 0.574 CA 1.601 48 residues pruned to eliminate duplicates Z: 53 42.577 2.245 0.525 0.604 0.981 0.654 CB 1.593 53 residues pruned to eliminate duplicates Z: 43 43.535 2.284 0.591 0.666 0.952 0.524 CA 1.666 43 residues pruned to eliminate duplicates Z: 43 40.276 2.262 0.483 0.686 0.952 0.643 CB 1.640 43 residues pruned to eliminate duplicates Z: 44 44.874 2.261 0.631 0.665 1.000 0.605 CB 1.594 44 residues pruned to eliminate duplicates Z: 44 40.879 2.277 0.512 0.665 0.953 0.558 CB 1.631 44 residues pruned to eliminate duplicates Z: 54 47.052 2.256 0.674 0.618 0.962 0.623 CA 1.591 65 residues pruned to eliminate duplicates Z: 20 39.325 2.338 0.702 0.922 0.947 0.632 CB 1.683 20 residues pruned to eliminate duplicates Z: 42 46.229 2.297 0.622 0.698 0.951 0.634 CB 1.700 42 residues pruned to eliminate duplicates Z: 42 39.513 2.271 0.479 0.718 0.951 0.610 CA 1.586 42 residues pruned to eliminate duplicates Z: 24 31.571 2.289 0.616 0.694 0.913 0.522 CA 1.633 24 residues pruned to eliminate duplicates Z: 53 39.638 2.238 0.562 0.592 0.904 0.442 CA 1.593 53 residues pruned to eliminate duplicates Z: 43 44.895 2.278 0.639 0.687 0.929 0.619 CB 1.683 43 residues pruned to eliminate duplicates Z: 44 45.819 2.279 0.637 0.660 0.977 0.535 CA 1.653 44 residues pruned to eliminate duplicates Z: 55 33.671 2.200 0.476 0.569 0.833 0.407 CB 1.584 55 residues pruned to eliminate duplicates Z: 42 41.294 2.244 0.660 0.667 0.902 0.585 CA 1.644 42 residues pruned to eliminate duplicates Z: 38 40.538 2.280 0.687 0.631 0.919 0.568 CA 1.667 38 residues pruned to eliminate duplicates Z: 43 43.066 2.266 0.607 0.685 0.929 0.619 CB 1.659 43 residues pruned to eliminate duplicates Z: 43 43.542 2.265 0.660 0.663 0.905 0.595 CA 1.697 43 residues pruned to eliminate duplicates Z: 30 20.073 2.161 0.550 0.417 0.862 0.414 CB 1.407 30 residues pruned to eliminate duplicates Z: 43 43.439 2.266 0.619 0.670 0.952 0.619 CA 1.640 43 residues pruned to eliminate duplicates Z: 18 15.865 2.165 0.345 0.520 0.941 0.353 CB 1.377 18 residues pruned to eliminate duplicates Z: 44 42.716 2.254 0.624 0.649 0.977 0.581 CB 1.586 44 residues pruned to eliminate duplicates Z: 45 42.889 2.203 0.744 0.670 0.932 0.523 CB 1.544 45 residues pruned to eliminate duplicates Z: 43 43.491 2.287 0.630 0.665 0.952 0.500 CB 1.622 43 residues pruned to eliminate duplicates Z: 51 35.484 2.189 0.622 0.574 0.880 0.340 CB 1.495 46 residues pruned to eliminate duplicates Z: 11 13.985 2.094 0.439 0.830 0.800 0.600 CB 1.379 11 residues pruned to eliminate duplicates Z: 27 19.055 2.172 0.477 0.445 0.923 0.385 CB 1.336 27 residues pruned to eliminate duplicates Z: 35 41.903 2.287 0.760 0.712 0.941 0.412 CB 1.565 35 residues pruned to eliminate duplicates Z: 28 18.703 2.144 0.399 0.454 0.889 0.370 CB 1.415 28 residues pruned to eliminate duplicates Z: 43 42.302 2.284 0.560 0.677 0.929 0.524 CB 1.677 43 residues pruned to eliminate duplicates Z: 46 38.057 2.247 0.625 0.647 0.822 0.467 CB 1.647 46 residues pruned to eliminate duplicates Z: 30 16.082 2.169 0.272 0.413 0.828 0.310 CB 1.432 30 residues pruned to eliminate duplicates Z: 28 22.734 2.200 0.556 0.426 0.889 0.333 CB 1.553 28 residues pruned to eliminate duplicates Z: 46 19.537 2.056 0.509 0.300 0.778 0.333 CB 1.509 46 residues pruned to eliminate duplicates Z: 11 10.515 2.167 0.482 0.253 0.900 0.200 CA 1.528 11 residues pruned to eliminate duplicates Z: 11 12.572 2.178 0.604 0.299 0.900 0.200 CA 1.583 11 residues pruned to eliminate duplicates Z: 33 22.386 2.129 0.556 0.471 0.938 0.406 CB 1.312 33 residues pruned to eliminate duplicates Z: 12 11.758 2.107 0.686 0.261 1.000 0.455 CB 1.312 12 residues pruned to eliminate duplicates Z: 11 15.022 2.217 0.850 0.333 0.900 0.700 CA 1.546 16 residues pruned to eliminate duplicates Z: 6 5.748 1.991 0.451 0.391 1.000 0.200 CA 0.998 6 residues pruned to eliminate duplicates Z: 13 12.744 2.172 0.545 0.286 0.917 0.333 CB 1.522 13 residues pruned to eliminate duplicates Z: 7 9.696 1.819 0.431 0.778 1.000 0.833 CA 1.190 7 residues pruned to eliminate duplicates Z: 6 8.828 2.032 0.229 0.661 1.000 0.600 CA 1.362 6 residues pruned to eliminate duplicates Z: 10 11.806 1.981 0.592 0.496 0.889 0.778 CA 1.410 20 residues pruned to eliminate duplicates Z: 10 10.779 1.909 0.748 0.536 0.889 0.556 CA 1.169 10 residues pruned to eliminate duplicates Z: 13 10.636 1.776 0.596 0.460 0.833 0.500 CA 1.354 13 residues pruned to eliminate duplicates Z: 6 5.055 1.889 0.341 0.717 1.000 1.000 CA 0.733 6 residues pruned to eliminate duplicates Z: 6 6.726 1.952 0.596 0.715 1.000 1.000 CA 0.795 6 residues pruned to eliminate duplicates Z: 6 8.957 2.017 0.679 0.643 1.000 0.800 CA 1.035 6 residues pruned to eliminate duplicates Z: 18 20.910 2.111 0.500 0.718 0.941 0.706 CB 1.397 Z: 7 4.913 1.532 0.588 0.421 0.833 0.500 CA 1.074 7 residues pruned to eliminate duplicates Z: 18 23.030 2.090 0.673 0.638 0.941 0.529 CB 1.491 17 residues pruned to eliminate duplicates Z: 6 4.938 1.521 0.531 0.442 1.000 0.800 CB 1.006 6 residues pruned to eliminate duplicates Z: 16 22.389 2.151 0.709 0.642 1.000 0.533 CB 1.377 16 residues pruned to eliminate duplicates Z: 17 22.806 2.139 0.757 0.647 0.875 0.562 CB 1.511 18 residues pruned to eliminate duplicates Z: 11 13.774 2.004 0.548 0.690 1.000 0.800 CB 1.180 11 residues pruned to eliminate duplicates Z: 18 22.676 2.086 0.545 0.658 1.000 0.647 CB 1.473 18 residues pruned to eliminate duplicates Z: 11 15.909 1.884 0.531 0.867 1.000 0.800 CA 1.275 11 residues pruned to eliminate duplicates Z: 17 20.105 2.119 0.632 0.626 0.938 0.625 CB 1.377 17 residues pruned to eliminate duplicates Z: 16 22.992 2.203 0.709 0.621 1.000 0.667 CB 1.407 16 residues pruned to eliminate duplicates Z: 14 19.293 2.054 0.531 0.677 0.923 0.615 CA 1.566 14 residues pruned to eliminate duplicates Z: 17 24.346 2.079 0.556 0.634 1.000 0.562 CA 1.659 17 residues pruned to eliminate duplicates Z: 19 18.373 1.975 0.731 0.591 0.889 0.389 CB 1.306 19 residues pruned to eliminate duplicates Z: 17 17.116 2.004 0.635 0.556 0.812 0.438 CA 1.522 17 residues pruned to eliminate duplicates Z: 12 10.447 1.988 0.079 0.545 1.000 0.545 CB 1.405 12 residues pruned to eliminate duplicates Z: 7 7.618 1.717 0.571 0.515 0.833 0.333 CB 1.364 7 residues pruned to eliminate duplicates Z: 11 7.135 1.907 0.241 0.336 0.900 0.300 CB 1.267 11 residues pruned to eliminate duplicates Z: 8 4.607 1.740 0.285 0.297 0.857 0.000 CA 1.141 8 residues pruned to eliminate duplicates Z: 15 10.622 1.759 0.419 0.472 1.000 0.429 CA 1.170 12 residues pruned to eliminate duplicates Z: 6 4.018 1.768 0.126 0.581 1.000 0.200 CB 0.835 6 residues pruned to eliminate duplicates Z: 8 3.624 1.585 0.210 0.271 0.857 0.286 CA 1.080 6 residues pruned to eliminate duplicates Z: 8 6.664 1.689 0.274 0.726 1.000 0.571 CA 0.955 8 residues pruned to eliminate duplicates Z: 7 7.401 1.812 0.609 0.196 1.000 0.333 CA 1.490 3 residues pruned to eliminate duplicates Z: 8 9.115 1.897 0.325 0.521 1.000 0.714 CA 1.341 8 residues pruned to eliminate duplicates Z: 7 6.321 1.631 0.794 0.222 1.000 0.333 CB 1.222 7 residues pruned to eliminate duplicates Z: 7 6.279 1.784 0.652 0.200 0.833 0.167 CB 1.490 7 residues pruned to eliminate duplicates Z: 19 15.682 1.913 0.383 0.497 1.000 0.611 CB 1.400 19 residues pruned to eliminate duplicates Z: 16 21.936 2.140 0.572 0.576 1.000 0.733 CB 1.566 16 residues pruned to eliminate duplicates Z: 17 19.624 2.063 0.517 0.526 1.000 0.688 CA 1.528 17 residues pruned to eliminate duplicates Z: 15 18.743 2.048 0.389 0.616 1.000 0.857 CB 1.578 15 residues pruned to eliminate duplicates Z: 16 19.290 2.062 0.468 0.595 1.000 0.733 CB 1.502 16 residues pruned to eliminate duplicates Z: 14 19.440 2.103 0.428 0.660 1.000 0.846 CB 1.548 14 residues pruned to eliminate duplicates Z: 6 3.793 1.522 0.291 0.404 0.800 0.400 CA 1.193 Z: 16 19.399 2.069 0.513 0.601 1.000 0.800 CB 1.453 22 residues pruned to eliminate duplicates Z: 17 20.149 2.096 0.489 0.609 1.000 0.688 CB 1.455 16 residues pruned to eliminate duplicates Z: 6 8.810 1.605 1.000 0.457 1.000 0.400 O 1.282 5 residues pruned to eliminate duplicates Z: 6 9.456 1.913 0.845 0.618 0.800 0.600 CB 1.339 7 residues pruned to eliminate duplicates Z: 12 5.335 1.843 0.676 0.276 0.727 0.545 CB 0.923 12 residues pruned to eliminate duplicates Z: 13 7.047 1.938 0.537 0.302 0.583 0.417 CB 1.459 13 residues pruned to eliminate duplicates Z: 10 7.950 1.880 0.736 0.406 0.667 0.556 CB 1.344 10 residues pruned to eliminate duplicates Z: 8 3.374 1.877 0.000 0.227 0.714 0.143 CB 1.307 Z: 7 5.655 2.058 0.367 0.249 0.833 0.167 CB 1.315 8 residues pruned to eliminate duplicates Z: 6 2.588 1.944 0.013 0.300 0.600 0.000 N 1.224 6 residues pruned to eliminate duplicates Z: 7 3.419 2.010 0.257 0.147 0.667 0.333 CB 1.280 7 residues pruned to eliminate duplicates Z: 9 3.758 1.946 0.313 0.183 0.750 0.250 CB 1.015 9 residues pruned to eliminate duplicates 6 1.877 1.777 0.310 0.486 0.600 0.200 CB 0.610 ? Z: 6 2.674 1.326 0.706 0.416 0.800 0.600 N 0.721 Z: 8 8.187 2.060 0.603 0.523 0.857 0.429 CB 1.069 16 residues pruned to eliminate duplicates Z: 24 8.557 1.936 0.415 0.234 0.739 0.261 CB 1.200 15 residues pruned to eliminate duplicates Z: 10 8.115 1.879 0.505 0.520 0.889 0.667 CB 1.055 Z: 31 19.580 2.002 0.533 0.624 0.933 0.500 CA 1.111 41 residues pruned to eliminate duplicates Z: 9 3.996 1.834 0.503 0.412 0.875 0.500 CA 0.642 9 residues pruned to eliminate duplicates Z: 28 23.958 2.103 0.497 0.684 0.963 0.630 CA 1.285 28 residues pruned to eliminate duplicates Z: 7 7.662 2.028 0.443 0.514 1.000 0.333 CB 1.054 7 residues pruned to eliminate duplicates Z: 17 7.971 1.879 0.365 0.291 0.812 0.375 CB 1.209 17 residues pruned to eliminate duplicates Z: 28 25.114 2.088 0.639 0.655 0.926 0.630 CA 1.321 28 residues pruned to eliminate duplicates Z: 47 32.923 2.063 0.511 0.666 1.000 0.674 CA 1.337 47 residues pruned to eliminate duplicates Z: 45 19.042 1.918 0.561 0.502 0.886 0.545 CB 1.080 45 residues pruned to eliminate duplicates Z: 48 32.878 2.080 0.536 0.633 1.000 0.681 CA 1.325 48 residues pruned to eliminate duplicates Z: 35 22.367 1.978 0.462 0.608 0.971 0.647 CA 1.233 35 residues pruned to eliminate duplicates Z: 40 23.419 2.023 0.372 0.573 1.000 0.590 CA 1.259 40 residues pruned to eliminate duplicates Z: 34 19.265 2.012 0.424 0.605 0.939 0.636 CA 1.128 34 residues pruned to eliminate duplicates Z: 31 21.844 1.951 0.516 0.663 0.900 0.633 CA 1.288 31 residues pruned to eliminate duplicates Z: 35 20.830 1.961 0.553 0.612 0.912 0.471 CA 1.157 35 residues pruned to eliminate duplicates Z: 35 24.618 2.091 0.524 0.676 0.912 0.618 CA 1.236 35 residues pruned to eliminate duplicates Z: 29 26.233 2.092 0.608 0.689 0.929 0.607 CA 1.335 29 residues pruned to eliminate duplicates Z: 40 19.137 1.906 0.459 0.538 0.897 0.462 CA 1.183 40 residues pruned to eliminate duplicates Z: 28 22.497 2.036 0.550 0.660 0.926 0.481 CA 1.277 28 residues pruned to eliminate duplicates Z: 34 19.317 2.018 0.497 0.580 0.879 0.515 CA 1.173 34 residues pruned to eliminate duplicates Z: 49 31.150 2.059 0.563 0.633 0.958 0.583 CA 1.287 49 residues pruned to eliminate duplicates Z: 14 18.573 2.193 0.701 0.907 1.000 0.769 CA 0.982 14 residues pruned to eliminate duplicates Z: 18 19.483 2.147 0.609 0.867 0.882 0.588 CA 1.134 18 residues pruned to eliminate duplicates Z: 39 28.159 2.099 0.575 0.691 0.947 0.579 CA 1.225 39 residues pruned to eliminate duplicates Z: 34 29.236 2.078 0.646 0.720 1.000 0.727 CA 1.219 34 residues pruned to eliminate duplicates Z: 32 22.967 2.050 0.534 0.643 0.968 0.710 CA 1.185 32 residues pruned to eliminate duplicates Z: 47 31.947 2.089 0.602 0.631 0.957 0.674 CA 1.301 49 residues pruned to eliminate duplicates Z: 21 25.424 2.071 0.776 0.879 1.000 0.550 CA 1.121 21 residues pruned to eliminate duplicates Z: 49 31.840 2.049 0.607 0.640 0.938 0.708 CA 1.306 46 residues pruned to eliminate duplicates Z: 7 2.199 1.492 0.086 0.500 0.667 0.333 CB 0.831 7 residues pruned to eliminate duplicates Z: 35 21.746 2.037 0.543 0.576 0.971 0.588 CA 1.137 33 residues pruned to eliminate duplicates Z: 16 18.228 1.998 0.411 0.737 1.000 0.867 CB 1.349 16 residues pruned to eliminate duplicates Z: 41 28.028 2.065 0.588 0.674 0.875 0.475 CA 1.315 44 residues pruned to eliminate duplicates Z: 15 17.430 1.978 0.397 0.769 1.000 0.643 CA 1.328 15 residues pruned to eliminate duplicates Z: 47 33.333 2.094 0.671 0.653 0.935 0.609 CA 1.303 48 residues pruned to eliminate duplicates Z: 14 20.818 2.120 0.382 0.819 1.000 0.692 CA 1.493 14 residues pruned to eliminate duplicates Z: 50 32.936 1.994 0.729 0.612 0.959 0.510 CA 1.280 47 residues pruned to eliminate duplicates Z: 14 23.913 2.108 0.557 0.886 1.000 0.846 CA 1.458 14 residues pruned to eliminate duplicates Z: 33 28.466 2.126 0.664 0.698 0.969 0.562 CA 1.226 33 residues pruned to eliminate duplicates Z: 18 20.211 2.035 0.709 0.625 0.941 0.412 CB 1.332 18 residues pruned to eliminate duplicates Z: 34 25.814 2.082 0.617 0.690 0.879 0.606 CA 1.276 34 residues pruned to eliminate duplicates Z: 47 31.224 2.079 0.632 0.645 0.957 0.587 CA 1.238 47 residues pruned to eliminate duplicates Z: 11 18.924 2.208 0.595 0.788 0.900 0.400 CB 1.466 11 residues pruned to eliminate duplicates Z: 39 34.195 2.108 0.727 0.712 0.974 0.579 CA 1.291 42 residues pruned to eliminate duplicates Z: 15 20.690 2.091 0.486 0.804 1.000 0.714 CB 1.364 15 residues pruned to eliminate duplicates Z: 51 31.456 2.049 0.622 0.589 0.940 0.440 CA 1.308 48 residues pruned to eliminate duplicates Z: 20 15.487 1.980 0.577 0.568 0.789 0.474 CA 1.350 17 residues pruned to eliminate duplicates Z: 26 29.247 2.027 0.464 0.844 0.960 0.840 CA 1.528 26 residues pruned to eliminate duplicates Z: 31 34.800 2.029 0.709 0.736 0.967 0.833 CB 1.534 31 residues pruned to eliminate duplicates Z: 32 28.528 2.007 0.558 0.678 0.968 0.806 CB 1.437 32 residues pruned to eliminate duplicates Z: 20 37.582 2.215 0.669 0.908 1.000 0.947 CA 1.657 20 residues pruned to eliminate duplicates Z: 32 37.509 2.055 0.732 0.754 0.968 0.806 CA 1.559 32 residues pruned to eliminate duplicates Z: 36 24.569 1.977 0.556 0.578 0.857 0.600 CA 1.462 56 residues pruned to eliminate duplicates Z: 23 29.642 2.125 0.853 0.678 0.864 0.591 CB 1.577 23 residues pruned to eliminate duplicates Z: 27 31.892 2.066 0.748 0.725 0.885 0.615 CB 1.599 27 residues pruned to eliminate duplicates Z: 26 35.714 2.128 0.733 0.723 0.960 0.680 CA 1.650 26 residues pruned to eliminate duplicates Z: 25 35.869 2.104 0.792 0.779 0.958 0.625 CB 1.585 25 residues pruned to eliminate duplicates Z: 28 33.035 2.098 0.835 0.703 0.889 0.741 CB 1.545 28 residues pruned to eliminate duplicates Z: 26 34.129 2.079 0.765 0.749 0.960 0.560 CB 1.551 26 residues pruned to eliminate duplicates Z: 30 30.968 2.078 0.754 0.627 0.862 0.483 CB 1.623 30 residues pruned to eliminate duplicates Z: 26 39.432 2.137 0.774 0.770 0.960 0.560 CB 1.705 26 residues pruned to eliminate duplicates Z: 27 34.130 2.086 0.926 0.709 0.923 0.538 CB 1.492 27 residues pruned to eliminate duplicates Z: 32 32.471 1.994 0.784 0.653 0.903 0.484 CB 1.574 32 residues pruned to eliminate duplicates Z: 27 30.587 2.061 0.753 0.746 0.846 0.462 CB 1.575 27 residues pruned to eliminate duplicates Z: 26 32.061 2.071 0.846 0.734 0.920 0.560 CB 1.478 26 residues pruned to eliminate duplicates Z: 31 42.407 2.052 1.030 0.770 0.967 0.533 CB 1.514 31 residues pruned to eliminate duplicates Z: 30 29.764 2.062 0.835 0.627 0.828 0.379 CB 1.566 30 residues pruned to eliminate duplicates Z: 27 35.880 2.086 0.974 0.716 0.923 0.615 CB 1.522 27 residues pruned to eliminate duplicates Z: 10 12.128 1.976 0.707 0.606 0.889 0.333 CA 1.220 8 residues pruned to eliminate duplicates Z: 8 16.908 2.118 0.570 0.846 1.000 0.857 CA 1.428 9 residues pruned to eliminate duplicates Z: 11 13.659 1.785 0.833 0.886 1.000 1.000 CA 0.953 9 residues pruned to eliminate duplicates Z: 9 15.328 1.892 0.971 0.749 1.000 0.750 CA 1.163 11 residues pruned to eliminate duplicates Z: 8 18.705 2.109 0.684 0.857 1.000 0.857 CA 1.467 8 residues pruned to eliminate duplicates Z: 10 13.317 1.835 0.752 0.795 1.000 0.667 CA 1.067 10 residues pruned to eliminate duplicates Z: 12 16.474 1.786 0.914 0.656 0.909 0.727 CB 1.383 11 residues pruned to eliminate duplicates Z: 6 4.454 1.775 0.190 0.373 1.000 1.000 CA 1.080 6 residues pruned to eliminate duplicates Z: 29 32.638 2.261 0.405 0.719 1.000 0.786 CA 1.593 29 residues pruned to eliminate duplicates Z: 32 19.107 2.137 0.666 0.275 0.839 0.484 CA 1.483 32 residues pruned to eliminate duplicates Z: 30 33.536 2.222 0.488 0.709 0.966 0.586 CA 1.614 30 residues pruned to eliminate duplicates Z: 42 22.100 2.079 0.246 0.513 0.878 0.537 CB 1.498 42 residues pruned to eliminate duplicates Z: 31 26.323 2.189 0.277 0.684 0.900 0.567 CA 1.613 31 residues pruned to eliminate duplicates Z: 31 32.061 2.202 0.504 0.640 0.967 0.533 CA 1.604 45 residues pruned to eliminate duplicates Z: 24 23.277 2.171 0.176 0.733 1.000 0.696 CB 1.541 24 residues pruned to eliminate duplicates Z: 33 33.337 2.186 0.550 0.647 0.938 0.500 CA 1.617 31 residues pruned to eliminate duplicates Z: 19 25.533 2.185 0.420 0.920 1.000 0.722 CB 1.366 19 residues pruned to eliminate duplicates Z: 25 29.850 2.244 0.558 0.691 0.958 0.625 CB 1.527 25 residues pruned to eliminate duplicates Z: 30 31.240 2.214 0.434 0.668 0.966 0.552 CA 1.620 30 residues pruned to eliminate duplicates Z: 23 33.239 2.226 0.611 0.669 0.955 0.591 CB 1.771 23 residues pruned to eliminate duplicates Z: 30 30.630 2.197 0.449 0.679 0.931 0.552 CA 1.628 30 residues pruned to eliminate duplicates Z: 30 31.945 2.207 0.541 0.667 0.966 0.517 CA 1.548 30 residues pruned to eliminate duplicates Z: 31 34.416 2.185 0.532 0.684 0.967 0.633 CA 1.640 31 residues pruned to eliminate duplicates Z: 30 35.235 2.236 0.520 0.673 1.000 0.724 CB 1.641 30 residues pruned to eliminate duplicates Z: 31 30.195 2.169 0.460 0.648 0.933 0.600 CA 1.625 31 residues pruned to eliminate duplicates Z: 31 33.876 2.179 0.635 0.651 0.967 0.500 CA 1.560 34 residues pruned to eliminate duplicates Z: 23 31.206 2.180 0.761 0.851 0.955 0.545 CB 1.344 23 residues pruned to eliminate duplicates Z: 14 17.735 2.036 0.512 0.774 0.923 0.385 CB 1.359 14 residues pruned to eliminate duplicates Z: 31 32.798 2.156 0.676 0.662 0.833 0.367 CB 1.713 31 residues pruned to eliminate duplicates Z: 35 28.209 2.128 0.554 0.642 0.824 0.471 CB 1.555 35 residues pruned to eliminate duplicates Z: 32 32.711 2.149 0.576 0.641 0.935 0.387 CB 1.625 30 residues pruned to eliminate duplicates Z: 21 31.318 2.241 0.768 0.841 0.900 0.450 CB 1.464 21 residues pruned to eliminate duplicates Z: 31 36.089 2.193 0.659 0.655 0.967 0.467 CB 1.622 31 residues pruned to eliminate duplicates Z: 31 38.487 2.143 0.777 0.708 0.933 0.367 CA 1.636 31 residues pruned to eliminate duplicates Z: 31 35.240 2.179 0.531 0.692 0.967 0.567 CA 1.674 31 residues pruned to eliminate duplicates Z: 22 16.641 2.032 0.417 0.368 0.905 0.571 CB 1.606 45 residues pruned to eliminate duplicates Z: 18 14.876 2.034 0.402 0.319 0.941 0.471 CB 1.641 18 residues pruned to eliminate duplicates Z: 24 14.111 1.982 0.384 0.335 0.826 0.348 CB 1.555 24 residues pruned to eliminate duplicates Z: 10 14.940 2.077 0.622 0.480 0.889 0.778 CA 1.696 10 residues pruned to eliminate duplicates Z: 12 11.173 1.966 0.462 0.483 0.909 0.545 CB 1.311 12 residues pruned to eliminate duplicates Z: 26 12.706 1.891 0.445 0.300 0.840 0.440 CB 1.385 26 residues pruned to eliminate duplicates Z: 23 13.998 1.946 0.407 0.312 0.864 0.455 CB 1.554 23 residues pruned to eliminate duplicates Z: 20 13.365 1.922 0.552 0.325 0.842 0.368 N 1.480 20 residues pruned to eliminate duplicates Z: 22 14.790 2.008 0.367 0.338 0.905 0.333 CB 1.552 22 residues pruned to eliminate duplicates Z: 22 16.169 2.010 0.451 0.349 0.905 0.381 CB 1.576 22 residues pruned to eliminate duplicates Z: 23 11.773 1.971 0.366 0.312 0.773 0.273 CB 1.487 23 residues pruned to eliminate duplicates Z: 22 13.378 1.973 0.288 0.310 0.905 0.381 CB 1.567 22 residues pruned to eliminate duplicates Z: 27 13.816 1.899 0.457 0.270 0.846 0.500 CB 1.503 26 residues pruned to eliminate duplicates Z: 7 4.520 1.500 0.317 0.435 1.000 0.333 CB 0.999 7 residues pruned to eliminate duplicates Z: 14 7.067 1.902 0.357 0.178 0.846 0.231 CB 1.324 14 residues pruned to eliminate duplicates Z: 14 7.051 1.819 0.450 0.171 0.846 0.231 CB 1.305 14 residues pruned to eliminate duplicates Z: 24 13.594 1.943 0.384 0.318 0.826 0.435 CB 1.560 24 residues pruned to eliminate duplicates Z: 13 7.014 1.816 0.359 0.172 0.917 0.417 CB 1.333 13 residues pruned to eliminate duplicates Z: 9 4.232 1.614 0.217 0.279 0.875 0.500 CB 1.118 9 residues pruned to eliminate duplicates Z: 10 8.413 1.984 0.241 0.370 0.778 0.222 CA 1.683 10 residues pruned to eliminate duplicates Z: 9 6.133 1.613 0.299 0.422 0.875 0.250 N 1.282 Z: 20 10.798 1.786 0.496 0.450 0.737 0.316 CB 1.324 20 residues pruned to eliminate duplicates Z: 8 7.754 1.647 0.398 0.568 1.000 0.286 N 1.192 8 residues pruned to eliminate duplicates Z: 18 10.779 1.883 0.450 0.493 0.706 0.412 CB 1.366 29 residues pruned to eliminate duplicates Z: 6 7.487 1.852 0.273 0.635 1.000 0.400 CB 1.252 6 residues pruned to eliminate duplicates Z: 19 12.532 1.862 0.465 0.461 0.778 0.278 CB 1.450 19 residues pruned to eliminate duplicates Z: 17 13.941 1.885 0.531 0.535 0.812 0.438 CB 1.435 17 residues pruned to eliminate duplicates Z: 17 9.472 1.900 0.533 0.495 0.625 0.375 CB 1.307 17 residues pruned to eliminate duplicates Z: 10 12.442 1.897 0.499 0.604 0.889 0.444 C 1.485 10 residues pruned to eliminate duplicates Z: 17 10.977 1.880 0.319 0.517 0.812 0.500 CB 1.339 17 residues pruned to eliminate duplicates Z: 10 8.018 1.841 0.641 0.528 0.667 0.333 CA 1.291 10 residues pruned to eliminate duplicates Z: 8 12.781 2.010 0.794 0.573 0.857 0.429 CA 1.457 8 residues pruned to eliminate duplicates Z: 9 11.383 1.950 0.773 0.525 0.750 0.625 CB 1.514 9 residues pruned to eliminate duplicates Z: 11 8.522 1.753 0.722 0.484 0.800 0.500 CB 1.134 11 residues pruned to eliminate duplicates Z: 11 6.903 1.751 0.558 0.484 0.800 0.400 CB 1.017 11 residues pruned to eliminate duplicates Z: 11 8.937 1.825 0.674 0.490 0.800 0.600 CB 1.168 11 residues pruned to eliminate duplicates Z: 8 3.925 1.840 0.248 0.285 0.571 0.429 CB 1.441 8 residues pruned to eliminate duplicates Z: 29 13.557 1.898 0.440 0.429 0.750 0.464 CB 1.344 29 residues pruned to eliminate duplicates Z: 18 10.452 2.012 0.347 0.407 0.765 0.588 CB 1.348 14 residues pruned to eliminate duplicates Z: 10 8.410 1.392 0.744 0.602 0.889 0.667 O 1.178 10 residues pruned to eliminate duplicates Z: 28 9.733 1.773 0.475 0.192 0.778 0.481 CB 1.330 28 residues pruned to eliminate duplicates Z: 24 11.774 1.900 0.402 0.381 0.696 0.652 CB 1.504 24 residues pruned to eliminate duplicates Z: 15 8.101 1.798 0.397 0.294 0.786 0.500 CB 1.382 15 residues pruned to eliminate duplicates Z: 18 10.423 1.916 0.461 0.238 0.824 0.353 CB 1.485 18 residues pruned to eliminate duplicates Z: 20 11.708 1.941 0.619 0.312 0.737 0.684 CB 1.429 20 residues pruned to eliminate duplicates Z: 12 9.341 1.943 0.265 0.454 0.818 0.727 CB 1.468 12 residues pruned to eliminate duplicates Z: 20 10.425 1.867 0.460 0.240 0.789 0.579 CB 1.502 20 residues pruned to eliminate duplicates Z: 22 7.417 1.910 0.185 0.238 0.762 0.571 CB 1.271 22 residues pruned to eliminate duplicates Z: 18 12.033 1.943 0.523 0.359 0.824 0.706 CB 1.394 18 residues pruned to eliminate duplicates Z: 18 9.958 1.855 0.469 0.340 0.765 0.529 CB 1.378 18 residues pruned to eliminate duplicates Z: 21 10.598 1.880 0.335 0.305 0.750 0.550 N 1.564 21 residues pruned to eliminate duplicates Z: 14 8.016 1.866 0.411 0.304 0.769 0.538 CB 1.365 14 residues pruned to eliminate duplicates Z: 25 10.611 1.933 0.429 0.285 0.708 0.625 CB 1.410 25 residues pruned to eliminate duplicates Z: 29 12.848 1.870 0.362 0.308 0.821 0.464 CA 1.437 29 residues pruned to eliminate duplicates Z: 8 3.512 1.926 0.052 0.164 0.714 0.286 CA 1.381 Z: 16 7.337 1.966 0.311 0.270 0.800 0.467 CA 1.193 23 residues pruned to eliminate duplicates Z: 6 3.271 1.180 1.046 0.471 1.000 0.600 N 0.624 6 residues pruned to eliminate duplicates Z: 13 11.213 1.978 0.543 0.341 0.917 0.417 CA 1.375 13 residues pruned to eliminate duplicates Z: 18 8.441 1.834 0.477 0.217 0.765 0.235 CB 1.379 16 residues pruned to eliminate duplicates Z: 6 5.649 1.518 0.637 0.458 1.000 0.600 N 1.062 6 residues pruned to eliminate duplicates Z: 6 3.989 1.885 0.250 0.281 0.600 0.200 CB 1.617 6 residues pruned to eliminate duplicates Z: 6 3.043 1.372 0.752 0.443 0.800 0.200 C 0.751 6 residues pruned to eliminate duplicates Z: 11 5.248 1.667 0.425 0.457 1.000 0.400 CB 0.729 Z: 7 4.442 2.037 0.186 0.288 1.000 0.500 CB 0.952 7 residues pruned to eliminate duplicates Z: 11 5.630 1.920 0.373 0.341 0.700 0.400 CB 1.147 24 residues pruned to eliminate duplicates Z: 6 3.010 1.933 0.195 0.292 0.800 0.400 CB 0.920 6 residues pruned to eliminate duplicates Z: 10 7.263 1.926 0.496 0.391 0.778 0.222 CB 1.213 10 residues pruned to eliminate duplicates Z: 11 6.003 1.815 0.458 0.348 0.700 0.200 CB 1.208 11 residues pruned to eliminate duplicates Z: 11 5.006 1.710 0.298 0.273 0.900 0.300 CB 1.025 11 residues pruned to eliminate duplicates 506 residues left after pruning, divided into chains as follows: A: 9 B: 6 C: 8 D: 6 E: 6 F: 17 G: 10 H: 15 I: 113 J: 11 K: 18 L: 15 M: 9 N: 17 O: 53 P: 7 Q: 7 R: 10 S: 22 T: 9 U: 30 V: 27 W: 19 X: 44 Y: 7 Z: 11 CC for partial structure against native data = 17.84 % ------------------------------------------------------------------------------ Global autotracing cycle 11 = 0.300, Contrast = 0.413, Connect. = 0.676 for dens.mod. cycle 1 = 0.300, Contrast = 0.479, Connect. = 0.701 for dens.mod. cycle 2 = 0.300, Contrast = 0.551, Connect. = 0.736 for dens.mod. cycle 3 = 0.300, Contrast = 0.558, Connect. = 0.742 for dens.mod. cycle 4 = 0.300, Contrast = 0.566, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.570, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.574, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.576, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.578, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.578, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6806 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1170 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 19 29.985 2.263 0.563 0.912 1.000 0.889 CB 1.415 B: 21 36.794 2.301 0.574 0.913 0.950 0.800 CB 1.692 C: 15 16.301 2.059 0.303 0.633 1.000 0.857 CB 1.433 D: 21 42.081 2.355 0.589 0.910 1.000 0.650 CB 1.783 21 residues pruned to eliminate duplicates E: 23 30.065 2.049 0.589 0.897 0.909 0.727 CB 1.550 F: 32 16.699 2.040 0.407 0.351 0.806 0.452 CB 1.522 G: 18 24.205 2.128 0.747 0.668 0.882 0.647 CB 1.532 H: 16 16.552 1.921 0.476 0.514 0.933 0.533 CA 1.592 I: 21 40.123 2.295 0.637 0.925 1.000 0.900 CA 1.677 21 residues pruned to eliminate duplicates J: 22 33.006 2.062 0.578 0.914 1.000 0.810 CB 1.566 23 residues pruned to eliminate duplicates K: 20 23.688 2.110 0.327 0.888 1.000 0.789 CB 1.398 17 residues pruned to eliminate duplicates L: 10 9.207 1.726 0.643 0.550 0.778 0.556 N 1.325 M: 20 23.660 2.158 0.275 0.901 1.000 0.895 CB 1.409 19 residues pruned to eliminate duplicates N: 27 27.211 2.201 0.457 0.586 0.923 0.538 CB 1.661 16 residues pruned to eliminate duplicates O: 20 33.721 2.308 0.395 0.910 1.000 0.684 CB 1.703 20 residues pruned to eliminate duplicates P: 12 22.295 2.214 0.548 0.856 1.000 0.727 CB 1.447 Q: 11 19.104 2.349 0.229 0.841 1.000 0.600 CB 1.560 11 residues pruned to eliminate duplicates R: 11 14.188 2.276 0.554 0.317 0.900 0.500 CA 1.726 9 residues pruned to eliminate duplicates S: 20 26.737 2.168 0.445 0.876 0.895 0.789 CB 1.590 20 residues pruned to eliminate duplicates T: 22 35.772 2.252 0.519 0.877 0.952 0.524 CB 1.740 22 residues pruned to eliminate duplicates U: 55 44.667 2.231 0.599 0.617 0.963 0.556 CB 1.584 33 residues pruned to eliminate duplicates V: 14 25.974 2.355 0.504 0.891 0.923 0.769 CB 1.583 14 residues pruned to eliminate duplicates W: 21 34.229 2.165 0.654 0.902 1.000 0.550 CB 1.525 22 residues pruned to eliminate duplicates X: 19 16.808 2.233 0.398 0.550 0.833 0.444 CB 1.451 19 residues pruned to eliminate duplicates Y: 16 20.263 2.100 0.512 0.574 1.000 0.800 CB 1.534 15 residues pruned to eliminate duplicates Z: 21 40.916 2.332 0.537 0.923 1.000 0.750 CB 1.793 21 residues pruned to eliminate duplicates Z: 11 7.881 1.879 0.447 0.437 0.800 0.500 CA 1.222 Z: 21 38.084 2.333 0.520 0.925 1.000 0.600 CB 1.686 21 residues pruned to eliminate duplicates Z: 11 5.906 1.831 0.645 0.415 0.700 0.400 CA 0.968 Z: 20 39.779 2.333 0.728 0.937 1.000 0.526 CB 1.575 20 residues pruned to eliminate duplicates Z: 11 14.679 1.984 0.419 0.783 0.900 0.600 CA 1.428 11 residues pruned to eliminate duplicates Z: 33 22.656 2.016 0.543 0.695 0.938 0.719 CA 1.150 Z: 19 20.118 2.036 0.502 0.883 0.889 0.667 CA 1.262 22 residues pruned to eliminate duplicates Z: 17 8.631 1.874 0.371 0.359 0.812 0.438 CB 1.203 17 residues pruned to eliminate duplicates Z: 22 36.693 2.226 0.573 0.907 0.952 0.810 CB 1.707 22 residues pruned to eliminate duplicates Z: 21 33.813 2.149 0.667 0.912 0.950 0.900 CB 1.573 22 residues pruned to eliminate duplicates Z: 20 27.793 2.175 0.479 0.900 1.000 0.842 CB 1.415 20 residues pruned to eliminate duplicates Z: 17 14.419 1.994 0.236 0.571 0.938 0.812 CB 1.456 Z: 20 31.805 2.342 0.463 0.905 0.895 0.579 CB 1.694 20 residues pruned to eliminate duplicates Z: 12 17.023 2.054 0.359 0.795 0.909 0.909 CA 1.562 12 residues pruned to eliminate duplicates Z: 22 40.050 2.064 0.898 0.889 1.000 0.810 CB 1.605 22 residues pruned to eliminate duplicates Z: 14 12.182 2.080 0.400 0.427 0.692 0.615 CA 1.808 14 residues pruned to eliminate duplicates Z: 14 17.285 2.035 0.702 0.817 0.923 0.538 CA 1.139 14 residues pruned to eliminate duplicates Z: 16 9.834 2.137 0.235 0.405 0.733 0.467 CB 1.450 Z: 24 13.393 1.944 0.504 0.395 0.826 0.652 CB 1.292 8 residues pruned to eliminate duplicates Z: 12 6.253 1.838 0.315 0.371 0.909 0.364 CB 0.985 11 residues pruned to eliminate duplicates Z: 20 38.488 2.282 0.633 0.929 0.947 0.789 CA 1.751 20 residues pruned to eliminate duplicates Z: 8 11.114 2.097 0.705 0.612 0.857 0.714 CB 1.233 8 residues pruned to eliminate duplicates Z: 19 23.554 2.097 0.584 0.676 1.000 0.722 CB 1.421 19 residues pruned to eliminate duplicates Z: 9 9.375 2.042 -0.159 0.846 1.000 0.625 CB 1.434 9 residues pruned to eliminate duplicates Z: 18 34.225 2.270 0.770 0.882 0.941 0.529 CB 1.588 18 residues pruned to eliminate duplicates Z: 19 24.945 2.058 0.752 0.928 1.000 0.722 CA 1.143 19 residues pruned to eliminate duplicates Z: 20 14.879 1.789 0.644 0.445 0.895 0.474 CA 1.373 Z: 10 10.945 1.785 0.524 0.793 0.889 0.444 CB 1.167 Z: 17 14.795 2.102 0.303 0.485 0.875 0.562 CB 1.567 16 residues pruned to eliminate duplicates Z: 13 8.480 1.892 0.482 0.405 0.750 0.500 CA 1.287 14 residues pruned to eliminate duplicates Z: 23 14.881 1.918 0.489 0.343 0.909 0.409 CB 1.450 Z: 13 10.629 2.104 0.051 0.593 0.917 0.583 CB 1.384 13 residues pruned to eliminate duplicates Z: 19 24.530 2.223 0.264 0.899 1.000 0.778 CB 1.471 19 residues pruned to eliminate duplicates Z: 7 14.955 2.188 0.771 0.590 0.833 0.667 CA 1.734 7 residues pruned to eliminate duplicates Z: 23 38.630 2.036 0.863 0.924 1.000 0.909 CB 1.525 23 residues pruned to eliminate duplicates Z: 16 8.533 1.796 0.441 0.355 0.733 0.333 CA 1.357 16 residues pruned to eliminate duplicates Z: 6 8.509 1.642 0.913 0.800 1.000 0.800 CA 0.932 Z: 21 27.466 2.156 0.549 0.875 1.000 0.600 CB 1.338 21 residues pruned to eliminate duplicates Z: 21 26.606 2.083 0.407 0.911 1.000 0.800 CB 1.439 21 residues pruned to eliminate duplicates Z: 21 35.658 2.278 0.602 0.897 1.000 0.950 CB 1.564 21 residues pruned to eliminate duplicates Z: 6 7.329 1.898 0.200 0.658 1.000 0.600 CA 1.243 Z: 16 16.869 2.075 0.424 0.592 0.933 0.733 CB 1.448 16 residues pruned to eliminate duplicates Z: 11 3.442 1.564 0.377 0.397 0.700 0.500 CB 0.805 Z: 17 11.321 2.012 0.170 0.438 0.875 0.625 CA 1.464 17 residues pruned to eliminate duplicates Z: 20 10.935 1.825 0.220 0.387 0.842 0.526 N 1.509 20 residues pruned to eliminate duplicates Z: 18 38.598 2.205 0.884 0.904 0.941 0.471 CB 1.705 18 residues pruned to eliminate duplicates Z: 12 21.758 2.262 0.408 0.874 1.000 0.818 CB 1.499 12 residues pruned to eliminate duplicates Z: 25 12.403 1.900 0.433 0.385 0.792 0.583 CB 1.327 25 residues pruned to eliminate duplicates Z: 21 25.523 2.250 0.171 0.901 0.950 0.700 CB 1.628 21 residues pruned to eliminate duplicates Z: 18 10.692 2.055 0.215 0.415 0.824 0.412 CB 1.379 18 residues pruned to eliminate duplicates Z: 7 9.749 1.803 1.060 0.528 0.833 0.500 CA 1.251 Z: 48 23.897 2.016 0.464 0.605 0.915 0.553 CA 1.168 42 residues pruned to eliminate duplicates Z: 19 41.117 2.277 0.777 0.895 1.000 0.611 CB 1.718 19 residues pruned to eliminate duplicates Z: 20 23.245 2.302 0.977 0.321 0.895 0.474 CB 1.594 8 residues pruned to eliminate duplicates Z: 20 39.475 2.285 0.642 0.909 1.000 0.842 CA 1.713 20 residues pruned to eliminate duplicates Z: 13 12.545 2.234 0.218 0.509 0.917 0.667 CB 1.439 13 residues pruned to eliminate duplicates Z: 12 16.017 2.112 0.131 0.867 1.000 0.636 CA 1.480 12 residues pruned to eliminate duplicates Z: 21 37.376 2.115 0.859 0.930 1.000 0.600 CB 1.487 21 residues pruned to eliminate duplicates Z: 11 5.977 1.933 0.475 0.310 0.600 0.400 CA 1.364 11 residues pruned to eliminate duplicates Z: 10 12.880 2.125 0.352 0.539 0.889 0.667 CA 1.619 Z: 10 10.911 1.722 0.737 0.766 0.889 0.667 CA 1.080 10 residues pruned to eliminate duplicates Z: 28 18.916 2.177 0.447 0.496 0.852 0.481 CB 1.362 28 residues pruned to eliminate duplicates Z: 20 9.080 1.927 0.173 0.410 0.842 0.579 CB 1.203 20 residues pruned to eliminate duplicates Z: 12 11.537 2.080 0.138 0.804 0.909 0.455 CB 1.240 12 residues pruned to eliminate duplicates Z: 20 19.379 2.014 0.389 0.874 1.000 0.632 CA 1.157 20 residues pruned to eliminate duplicates Z: 14 15.593 2.100 0.482 0.626 0.923 0.692 CA 1.337 14 residues pruned to eliminate duplicates Z: 24 18.374 2.252 0.566 0.307 0.913 0.478 CA 1.474 24 residues pruned to eliminate duplicates Z: 19 27.957 2.283 0.425 0.865 1.000 0.667 CB 1.484 19 residues pruned to eliminate duplicates Z: 9 11.969 2.103 0.324 0.568 1.000 0.750 CA 1.423 9 residues pruned to eliminate duplicates Z: 14 23.434 2.025 0.794 0.929 1.000 0.846 CA 1.252 14 residues pruned to eliminate duplicates Z: 16 16.851 2.062 0.479 0.896 0.933 0.933 CA 1.095 16 residues pruned to eliminate duplicates Z: 23 31.025 2.212 0.504 0.720 0.955 0.864 CB 1.707 23 residues pruned to eliminate duplicates Z: 26 19.300 2.206 0.611 0.308 0.880 0.560 CB 1.529 26 residues pruned to eliminate duplicates Z: 10 4.965 1.842 0.516 0.360 0.778 0.333 CB 0.886 Z: 18 33.553 2.276 0.670 0.883 0.941 0.824 CA 1.644 18 residues pruned to eliminate duplicates Z: 16 11.837 1.979 0.372 0.379 0.800 0.533 CB 1.601 16 residues pruned to eliminate duplicates Z: 13 9.392 1.744 0.384 0.835 0.833 0.417 CB 1.009 13 residues pruned to eliminate duplicates Z: 43 40.416 2.074 0.831 0.656 0.929 0.667 CB 1.531 21 residues pruned to eliminate duplicates Z: 8 8.771 1.893 0.249 0.409 1.000 0.429 CA 1.542 Z: 22 38.443 2.232 0.805 0.916 0.952 0.524 CB 1.545 22 residues pruned to eliminate duplicates Z: 16 14.616 2.085 0.596 0.521 0.933 0.600 CB 1.190 16 residues pruned to eliminate duplicates Z: 19 37.013 2.233 0.884 0.929 1.000 0.667 CB 1.452 19 residues pruned to eliminate duplicates Z: 11 6.595 1.804 0.052 0.443 0.900 0.400 CA 1.294 Z: 9 9.482 2.033 -0.020 0.621 1.000 0.625 CA 1.501 9 residues pruned to eliminate duplicates Z: 6 7.632 2.155 -0.012 0.732 1.000 0.200 CB 1.301 6 residues pruned to eliminate duplicates Z: 28 11.632 1.920 0.357 0.290 0.815 0.370 CB 1.334 24 residues pruned to eliminate duplicates Z: 13 14.427 2.046 0.290 0.785 0.917 0.667 CB 1.339 13 residues pruned to eliminate duplicates Z: 6 5.429 1.582 0.744 0.576 0.800 0.800 N 1.022 Z: 16 16.286 2.053 0.219 0.885 1.000 0.733 CA 1.214 16 residues pruned to eliminate duplicates Z: 11 13.842 2.235 0.384 0.436 1.000 0.600 CB 1.512 11 residues pruned to eliminate duplicates Z: 10 9.354 1.806 0.400 0.498 0.889 0.556 CA 1.389 Z: 17 10.670 1.840 0.438 0.335 0.875 0.625 CA 1.380 Z: 6 6.489 1.625 0.247 0.816 1.000 0.600 CA 1.088 6 residues pruned to eliminate duplicates Z: 26 18.214 2.198 0.444 0.379 0.920 0.640 CB 1.420 27 residues pruned to eliminate duplicates Z: 12 17.340 2.057 0.338 0.716 1.000 0.455 CA 1.563 12 residues pruned to eliminate duplicates Z: 12 18.457 2.095 0.327 0.883 1.000 0.636 CA 1.448 12 residues pruned to eliminate duplicates Z: 10 11.521 1.814 0.324 0.694 1.000 0.889 CA 1.340 6 residues pruned to eliminate duplicates Z: 11 16.837 1.939 0.458 0.824 1.000 0.400 CA 1.423 11 residues pruned to eliminate duplicates Z: 13 11.079 1.905 0.169 0.486 1.000 0.667 N 1.456 12 residues pruned to eliminate duplicates Z: 11 5.372 1.694 0.182 0.582 0.700 0.400 CA 1.121 11 residues pruned to eliminate duplicates Z: 6 3.113 1.638 0.211 0.530 0.800 0.600 CB 0.852 6 residues pruned to eliminate duplicates Z: 19 8.551 2.040 0.136 0.313 0.722 0.444 CB 1.480 11 residues pruned to eliminate duplicates Z: 16 16.953 2.088 0.348 0.598 1.000 0.800 CB 1.417 16 residues pruned to eliminate duplicates Z: 17 38.000 2.286 1.042 0.919 0.875 0.500 CB 1.639 17 residues pruned to eliminate duplicates Z: 22 35.003 2.233 0.527 0.890 1.000 0.667 CB 1.611 22 residues pruned to eliminate duplicates Z: 8 6.371 1.753 0.199 0.623 0.857 0.714 CB 1.190 Z: 13 18.428 2.090 0.280 0.832 1.000 0.833 CA 1.492 13 residues pruned to eliminate duplicates Z: 9 9.286 1.838 0.348 0.473 1.000 0.500 CB 1.363 9 residues pruned to eliminate duplicates Z: 12 19.471 2.071 0.567 0.729 0.909 0.636 CA 1.619 12 residues pruned to eliminate duplicates Z: 10 7.544 1.738 0.409 0.557 0.778 0.667 CB 1.249 Z: 27 22.248 2.202 0.668 0.403 0.885 0.500 CA 1.488 22 residues pruned to eliminate duplicates Z: 9 4.113 2.046 0.066 0.271 0.625 0.500 CB 1.383 9 residues pruned to eliminate duplicates Z: 9 5.822 1.832 -0.198 0.609 1.000 0.500 C 1.263 Z: 14 6.416 1.509 0.358 0.359 0.846 0.538 CB 1.196 Z: 18 22.480 2.114 0.844 0.919 1.000 0.765 CA 0.986 18 residues pruned to eliminate duplicates Z: 17 8.637 1.877 0.357 0.355 0.750 0.500 CA 1.322 17 residues pruned to eliminate duplicates Z: 16 11.945 1.956 0.166 0.640 0.933 0.733 CB 1.270 16 residues pruned to eliminate duplicates Z: 8 7.643 1.849 0.394 0.589 1.000 0.714 CB 1.028 8 residues pruned to eliminate duplicates Z: 15 9.861 2.026 0.030 0.641 0.857 0.786 CB 1.292 15 residues pruned to eliminate duplicates Z: 11 18.694 1.922 0.600 0.893 1.000 0.900 CA 1.380 11 residues pruned to eliminate duplicates Z: 13 9.138 2.154 0.210 0.473 0.750 0.583 CB 1.387 13 residues pruned to eliminate duplicates Z: 25 26.082 2.312 0.653 0.390 0.958 0.625 CA 1.632 27 residues pruned to eliminate duplicates Z: 11 15.818 1.917 0.496 0.851 1.000 0.800 CA 1.291 11 residues pruned to eliminate duplicates Z: 14 6.184 1.680 0.922 0.389 0.615 0.462 CA 0.971 13 residues pruned to eliminate duplicates Z: 17 23.671 2.274 0.434 0.865 0.812 0.625 CB 1.636 17 residues pruned to eliminate duplicates Z: 11 8.993 1.886 0.255 0.632 0.900 0.700 CA 1.179 5 residues pruned to eliminate duplicates Z: 7 6.259 1.751 0.075 0.666 0.833 0.667 CB 1.397 Z: 30 39.343 2.260 0.722 0.682 0.931 0.448 CB 1.707 31 residues pruned to eliminate duplicates Z: 26 19.426 1.972 0.634 0.453 0.840 0.520 CA 1.506 26 residues pruned to eliminate duplicates Z: 44 23.223 2.160 0.471 0.347 0.860 0.558 CB 1.529 57 residues pruned to eliminate duplicates Z: 23 13.311 1.954 0.393 0.330 0.864 0.545 CB 1.453 23 residues pruned to eliminate duplicates Z: 6 11.169 1.985 0.243 0.852 1.000 0.600 CA 1.497 6 residues pruned to eliminate duplicates Z: 16 9.550 2.068 0.151 0.409 0.800 0.533 CA 1.426 16 residues pruned to eliminate duplicates Z: 6 2.422 1.615 -0.309 0.519 0.800 0.800 CB 1.192 Z: 13 9.956 1.836 0.416 0.525 0.833 0.500 N 1.294 13 residues pruned to eliminate duplicates Z: 6 7.107 1.909 0.214 0.639 0.800 0.800 CA 1.504 Z: 22 39.309 2.098 0.757 0.921 1.000 0.762 CB 1.638 22 residues pruned to eliminate duplicates Z: 10 9.524 2.108 -0.031 0.700 0.889 0.889 CB 1.458 10 residues pruned to eliminate duplicates Z: 12 7.513 1.808 0.350 0.514 0.909 0.545 CA 1.007 12 residues pruned to eliminate duplicates Z: 12 8.526 1.879 0.163 0.535 0.818 0.636 CA 1.390 12 residues pruned to eliminate duplicates Z: 9 7.816 1.885 0.453 0.440 0.750 0.375 C 1.431 9 residues pruned to eliminate duplicates Z: 7 7.132 1.929 0.019 0.598 0.833 0.667 N 1.619 7 residues pruned to eliminate duplicates Z: 21 33.196 2.030 0.931 0.929 0.800 0.200 CB 1.656 20 residues pruned to eliminate duplicates Z: 26 17.289 2.221 0.427 0.289 0.960 0.400 CA 1.441 26 residues pruned to eliminate duplicates Z: 8 6.590 1.683 0.579 0.411 0.857 0.571 CA 1.201 Z: 9 4.721 1.565 0.328 0.516 0.750 0.750 CB 1.054 9 residues pruned to eliminate duplicates Z: 10 8.646 1.859 0.347 0.595 0.889 0.667 CB 1.183 10 residues pruned to eliminate duplicates Z: 14 17.305 1.994 0.374 0.669 1.000 0.923 CB 1.498 14 residues pruned to eliminate duplicates Z: 15 4.437 1.516 0.558 0.229 0.714 0.429 CB 0.964 Z: 71 50.733 2.243 0.630 0.607 0.971 0.529 CB 1.543 70 residues pruned to eliminate duplicates Z: 14 12.707 2.012 0.007 0.717 1.000 0.769 CB 1.430 14 residues pruned to eliminate duplicates Z: 11 13.968 1.816 0.353 0.851 0.900 0.600 CA 1.478 11 residues pruned to eliminate duplicates Z: 26 19.582 2.172 0.543 0.364 0.920 0.440 CA 1.470 26 residues pruned to eliminate duplicates Z: 27 19.944 2.204 0.495 0.314 0.962 0.538 CB 1.517 27 residues pruned to eliminate duplicates Z: 10 8.777 1.911 0.520 0.451 0.889 0.556 CA 1.192 13 residues pruned to eliminate duplicates Z: 10 6.994 1.694 0.316 0.469 0.778 0.667 C 1.388 10 residues pruned to eliminate duplicates Z: 8 6.381 1.732 0.574 0.323 0.857 0.571 CB 1.254 8 residues pruned to eliminate duplicates Z: 19 15.982 1.830 0.645 0.478 0.889 0.556 CB 1.440 16 residues pruned to eliminate duplicates Z: 10 15.441 1.981 0.354 0.797 1.000 0.444 CA 1.480 10 residues pruned to eliminate duplicates Z: 25 13.359 2.011 0.478 0.314 0.833 0.500 CB 1.352 25 residues pruned to eliminate duplicates Z: 12 10.403 2.048 0.503 0.319 0.818 0.364 CA 1.521 12 residues pruned to eliminate duplicates Z: 7 5.506 1.728 0.603 0.367 0.833 0.333 CB 1.124 Z: 8 6.235 1.760 0.239 0.471 0.857 0.429 N 1.299 8 residues pruned to eliminate duplicates Z: 17 13.835 2.078 0.499 0.463 0.938 0.500 CA 1.229 17 residues pruned to eliminate duplicates Z: 21 12.283 1.779 0.624 0.457 0.800 0.550 CA 1.242 21 residues pruned to eliminate duplicates Z: 11 13.019 1.871 0.149 0.831 1.000 0.600 CA 1.439 11 residues pruned to eliminate duplicates Z: 21 24.056 2.217 0.332 0.891 0.850 0.500 CB 1.540 21 residues pruned to eliminate duplicates Z: 18 16.423 1.957 0.367 0.573 1.000 0.765 CB 1.388 16 residues pruned to eliminate duplicates Z: 9 5.633 1.705 0.228 0.497 1.000 0.750 CA 0.953 9 residues pruned to eliminate duplicates Z: 19 24.530 2.011 0.745 0.883 1.000 0.889 CA 1.191 19 residues pruned to eliminate duplicates Z: 26 14.568 1.834 0.388 0.613 0.920 0.840 CA 1.117 26 residues pruned to eliminate duplicates Z: 12 10.343 2.099 0.567 0.766 0.818 0.364 CB 0.915 12 residues pruned to eliminate duplicates Z: 31 18.131 2.032 0.358 0.405 0.833 0.533 CA 1.591 31 residues pruned to eliminate duplicates Z: 6 4.205 1.758 0.107 0.456 0.800 0.400 CB 1.264 4 residues pruned to eliminate duplicates Z: 21 10.841 2.103 0.271 0.291 0.750 0.500 CB 1.529 21 residues pruned to eliminate duplicates Z: 12 5.180 1.660 0.519 0.206 0.818 0.364 CB 1.073 12 residues pruned to eliminate duplicates Z: 11 8.865 1.770 0.529 0.427 0.800 0.500 CA 1.397 11 residues pruned to eliminate duplicates Z: 10 16.055 1.925 0.641 0.623 1.000 0.556 CA 1.508 10 residues pruned to eliminate duplicates Z: 9 6.762 1.609 0.263 0.479 0.875 0.500 O 1.373 8 residues pruned to eliminate duplicates Z: 7 9.618 1.786 0.418 0.663 1.000 0.833 CB 1.334 6 residues pruned to eliminate duplicates Z: 7 2.796 1.430 0.216 0.247 0.833 0.333 N 1.055 Z: 19 38.666 2.182 0.857 0.918 0.944 0.556 CB 1.679 19 residues pruned to eliminate duplicates Z: 24 14.040 1.911 0.606 0.393 0.739 0.652 CB 1.446 24 residues pruned to eliminate duplicates Z: 6 6.265 1.703 0.591 0.437 1.000 0.600 CA 1.104 7 residues pruned to eliminate duplicates Z: 6 5.138 1.643 0.372 0.483 1.000 0.800 N 1.036 Z: 6 8.546 1.937 0.907 0.417 1.000 0.800 CA 1.129 Z: 6 8.227 1.927 0.239 0.734 1.000 0.600 CA 1.250 5 residues pruned to eliminate duplicates Z: 6 2.653 1.412 0.307 0.459 0.800 0.800 CB 0.838 6 residues pruned to eliminate duplicates Z: 18 16.476 1.918 0.691 0.886 0.882 0.647 CA 1.007 18 residues pruned to eliminate duplicates Z: 10 10.129 1.963 0.244 0.658 0.889 0.778 N 1.343 10 residues pruned to eliminate duplicates Z: 13 5.164 1.534 0.503 0.307 0.750 0.583 CB 1.068 Z: 16 16.699 2.014 0.891 0.874 0.867 0.400 CA 0.950 16 residues pruned to eliminate duplicates Z: 29 29.663 2.188 0.341 0.748 1.000 0.714 CA 1.531 29 residues pruned to eliminate duplicates Z: 8 5.676 1.788 0.207 0.407 0.857 0.429 CA 1.278 7 residues pruned to eliminate duplicates Z: 11 7.346 1.734 0.155 0.575 0.900 0.800 CB 1.199 10 residues pruned to eliminate duplicates Z: 13 20.725 2.097 0.320 0.870 1.000 0.833 CB 1.577 13 residues pruned to eliminate duplicates Z: 19 9.251 1.939 0.326 0.320 0.833 0.278 CB 1.242 19 residues pruned to eliminate duplicates Z: 17 18.032 2.089 0.319 0.596 1.000 0.625 CB 1.493 17 residues pruned to eliminate duplicates Z: 9 4.166 1.750 -0.025 0.587 0.875 0.500 CB 0.907 11 residues pruned to eliminate duplicates Z: 19 20.370 2.039 0.614 0.898 1.000 0.556 CA 1.043 19 residues pruned to eliminate duplicates Z: 7 3.027 1.462 0.311 0.549 0.833 0.667 CB 0.738 Z: 46 23.014 1.983 0.458 0.609 0.911 0.511 CA 1.173 46 residues pruned to eliminate duplicates Z: 8 5.725 1.424 0.447 0.471 1.000 0.571 CA 1.082 9 residues pruned to eliminate duplicates Z: 9 10.893 1.918 0.282 0.837 1.000 0.750 CB 1.171 9 residues pruned to eliminate duplicates Z: 8 5.172 1.677 0.031 0.550 1.000 0.571 CB 1.077 Z: 12 8.934 1.869 0.150 0.513 0.909 0.636 CA 1.361 12 residues pruned to eliminate duplicates Z: 8 15.642 2.172 0.478 0.698 1.000 0.857 CA 1.537 11 residues pruned to eliminate duplicates Z: 14 13.531 1.853 0.423 0.794 1.000 0.769 CB 1.099 14 residues pruned to eliminate duplicates Z: 6 5.385 1.530 0.569 0.678 0.800 0.800 CA 1.065 Z: 6 10.956 1.986 0.552 0.849 1.000 0.800 CA 1.178 6 residues pruned to eliminate duplicates Z: 21 31.584 2.101 0.651 0.883 1.000 0.550 CB 1.473 21 residues pruned to eliminate duplicates Z: 41 22.117 2.150 0.593 0.284 0.925 0.525 CA 1.408 41 residues pruned to eliminate duplicates Z: 6 5.942 1.714 0.396 0.375 1.000 0.800 CA 1.269 6 residues pruned to eliminate duplicates Z: 9 6.735 1.825 0.220 0.421 0.875 0.250 CA 1.328 9 residues pruned to eliminate duplicates Z: 7 5.580 1.618 0.423 0.816 1.000 0.667 CA 0.752 7 residues pruned to eliminate duplicates Z: 19 24.495 2.091 0.643 0.717 1.000 0.778 CB 1.381 19 residues pruned to eliminate duplicates Z: 18 8.881 1.775 0.255 0.411 0.765 0.412 CB 1.387 18 residues pruned to eliminate duplicates Z: 7 8.258 1.479 0.718 0.711 1.000 0.667 CA 1.095 Z: 6 6.850 1.700 0.365 0.489 1.000 0.400 CB 1.334 Z: 10 18.513 2.137 0.669 0.899 0.889 0.556 CA 1.391 15 residues pruned to eliminate duplicates Z: 17 13.511 2.006 0.461 0.875 0.938 0.625 CA 0.893 17 residues pruned to eliminate duplicates Z: 14 9.213 1.868 0.393 0.320 0.846 0.538 CA 1.415 14 residues pruned to eliminate duplicates Z: 15 12.980 2.015 0.321 0.624 1.000 0.643 CB 1.160 15 residues pruned to eliminate duplicates Z: 8 3.487 1.310 0.510 0.258 0.857 0.429 CA 1.025 5 residues pruned to eliminate duplicates Z: 17 11.075 1.878 0.491 0.352 0.812 0.312 CA 1.428 17 residues pruned to eliminate duplicates Z: 78 39.081 2.151 0.468 0.486 0.883 0.545 CA 1.620 82 residues pruned to eliminate duplicates Z: 11 10.575 1.782 0.704 0.729 1.000 0.800 CB 0.896 Z: 22 34.464 2.102 0.591 0.921 1.000 0.762 CB 1.582 22 residues pruned to eliminate duplicates Z: 10 12.200 1.843 0.461 0.692 1.000 0.778 CA 1.266 11 residues pruned to eliminate duplicates Z: 11 10.086 1.704 0.370 0.647 0.900 0.700 N 1.323 11 residues pruned to eliminate duplicates Z: 22 30.694 2.083 0.666 0.888 0.905 0.286 CB 1.538 22 residues pruned to eliminate duplicates Z: 21 38.265 2.134 0.869 0.906 1.000 0.600 CB 1.525 21 residues pruned to eliminate duplicates Z: 6 4.586 1.744 0.228 0.575 0.800 0.800 CB 1.114 Z: 35 17.926 1.943 0.326 0.658 0.941 0.676 CA 1.094 35 residues pruned to eliminate duplicates Z: 6 5.490 1.379 0.680 0.721 1.000 0.400 N 0.868 Z: 30 20.740 2.104 0.551 0.390 0.897 0.483 CB 1.479 30 residues pruned to eliminate duplicates Z: 24 20.576 2.182 0.518 0.426 0.913 0.652 CB 1.532 24 residues pruned to eliminate duplicates Z: 6 7.953 1.672 0.297 0.836 1.000 1.000 CB 1.227 6 residues pruned to eliminate duplicates 6 0.435 1.836 0.531 0.100 0.200 0.200 CB 0.577 ? Z: 17 10.078 1.637 0.737 0.413 0.812 0.500 CA 1.194 17 residues pruned to eliminate duplicates Z: 11 4.584 1.766 0.472 0.223 0.800 0.500 CA 0.964 11 residues pruned to eliminate duplicates Z: 15 12.165 1.818 0.518 0.621 0.857 0.429 CB 1.226 15 residues pruned to eliminate duplicates Z: 8 6.015 1.476 0.436 0.524 1.000 0.571 N 1.048 Z: 7 5.396 1.949 -0.005 0.459 0.833 0.500 CB 1.420 7 residues pruned to eliminate duplicates Z: 20 36.377 2.295 0.610 0.944 1.000 0.526 CB 1.565 20 residues pruned to eliminate duplicates Z: 7 5.834 1.693 0.469 0.571 0.667 0.667 CA 1.341 7 residues pruned to eliminate duplicates 6 1.170 1.245 0.235 0.298 0.800 0.600 CA 0.533 ? Z: 15 15.939 2.078 0.401 0.551 0.929 0.571 CB 1.499 15 residues pruned to eliminate duplicates Z: 12 9.290 1.859 0.573 0.373 0.818 0.455 CA 1.341 12 residues pruned to eliminate duplicates Z: 6 8.365 1.772 0.525 0.797 0.800 0.800 CB 1.333 6 residues pruned to eliminate duplicates Z: 25 33.133 2.245 0.501 0.724 1.000 0.875 CB 1.640 35 residues pruned to eliminate duplicates Z: 9 2.522 1.706 -0.041 0.241 0.750 0.500 CA 0.981 9 residues pruned to eliminate duplicates Z: 11 13.461 1.810 0.452 0.593 1.000 0.700 CA 1.481 23 residues pruned to eliminate duplicates Z: 12 14.218 2.263 0.196 0.564 0.909 0.909 CB 1.637 12 residues pruned to eliminate duplicates Z: 8 6.913 1.761 -0.051 0.532 1.000 0.429 C 1.514 7 residues pruned to eliminate duplicates Z: 19 19.933 2.088 0.519 0.933 1.000 0.611 CA 1.034 19 residues pruned to eliminate duplicates Z: 48 24.757 2.159 0.575 0.330 0.894 0.489 CA 1.431 48 residues pruned to eliminate duplicates Z: 13 8.188 1.843 0.153 0.277 0.917 0.667 CA 1.563 13 residues pruned to eliminate duplicates Z: 40 36.651 2.068 0.756 0.651 0.974 0.744 CB 1.441 40 residues pruned to eliminate duplicates Z: 8 2.111 1.430 0.160 0.257 0.571 0.571 CA 1.113 8 1.674 1.358 0.181 0.214 0.857 0.429 CB 0.645 ? Z: 40 20.135 2.130 0.557 0.262 0.872 0.513 CA 1.464 40 residues pruned to eliminate duplicates Z: 6 2.263 1.529 0.293 0.463 0.800 0.400 CB 0.664 Z: 12 18.168 2.326 0.181 0.752 1.000 0.727 CB 1.592 12 residues pruned to eliminate duplicates Z: 15 12.228 2.166 0.160 0.469 0.929 0.429 CB 1.445 15 residues pruned to eliminate duplicates Z: 8 5.886 1.730 0.418 0.665 0.857 0.714 CB 0.908 Z: 20 34.883 2.220 0.580 0.904 1.000 0.737 CB 1.625 20 residues pruned to eliminate duplicates Z: 8 3.311 1.405 0.646 0.556 0.714 0.429 CB 0.717 Z: 46 29.049 1.984 0.518 0.625 0.911 0.756 CB 1.403 46 residues pruned to eliminate duplicates Z: 9 10.282 1.805 0.394 0.629 0.875 0.625 CA 1.462 9 residues pruned to eliminate duplicates Z: 8 5.545 1.673 0.170 0.507 1.000 0.571 CB 1.063 Z: 11 9.121 1.763 0.716 0.566 0.800 0.700 CA 1.118 11 residues pruned to eliminate duplicates Z: 9 4.746 1.416 0.178 0.524 1.000 0.750 CB 0.982 Z: 8 2.679 1.444 0.166 0.402 0.714 0.286 N 0.934 Z: 7 3.703 1.752 0.054 0.378 1.000 0.833 CA 0.933 Z: 21 18.539 2.097 0.648 0.503 0.850 0.650 CA 1.407 21 residues pruned to eliminate duplicates Z: 8 6.710 1.956 -0.040 0.460 1.000 0.714 CB 1.407 8 residues pruned to eliminate duplicates Z: 13 20.357 2.259 0.203 0.906 1.000 0.917 CB 1.537 13 residues pruned to eliminate duplicates Z: 10 13.063 1.831 0.673 0.752 1.000 0.667 CA 1.135 10 residues pruned to eliminate duplicates Z: 11 2.619 1.423 0.329 0.296 0.700 0.500 CB 0.786 Z: 8 5.441 1.422 0.654 0.562 0.857 0.571 CB 0.960 7 residues pruned to eliminate duplicates Z: 23 29.165 2.012 0.834 0.862 0.909 0.545 CB 1.361 23 residues pruned to eliminate duplicates Z: 9 10.381 1.751 0.669 0.854 1.000 0.750 CA 0.928 9 residues pruned to eliminate duplicates Z: 11 7.993 2.086 0.466 0.251 0.800 0.300 CB 1.376 11 residues pruned to eliminate duplicates Z: 24 15.178 2.040 0.414 0.460 0.870 0.652 CA 1.314 24 residues pruned to eliminate duplicates Z: 18 20.457 2.016 0.605 0.889 0.941 0.647 CB 1.173 18 residues pruned to eliminate duplicates Z: 6 3.471 1.599 0.207 0.395 0.800 0.400 CA 1.123 Z: 9 2.752 1.631 0.406 0.298 0.500 0.500 N 1.062 Z: 7 4.671 1.622 0.649 0.386 0.667 0.500 CA 1.207 Z: 11 12.171 1.721 0.796 0.543 0.900 0.600 CB 1.327 9 residues pruned to eliminate duplicates Z: 16 9.769 1.821 0.484 0.465 0.800 0.400 CB 1.209 16 residues pruned to eliminate duplicates Z: 20 20.662 2.161 0.604 0.796 0.737 0.263 CB 1.431 20 residues pruned to eliminate duplicates Z: 12 8.027 2.000 0.356 0.285 0.818 0.545 CB 1.388 11 residues pruned to eliminate duplicates Z: 25 18.805 2.081 0.500 0.432 0.958 0.667 CA 1.377 25 residues pruned to eliminate duplicates Z: 15 12.711 1.777 0.595 0.571 0.857 0.571 CA 1.306 18 residues pruned to eliminate duplicates Z: 63 39.878 2.145 0.657 0.565 0.887 0.419 CB 1.509 63 residues pruned to eliminate duplicates Z: 12 5.635 1.557 0.301 0.284 0.909 0.273 CB 1.176 8 residues pruned to eliminate duplicates Z: 30 13.742 2.076 0.289 0.344 0.793 0.483 CB 1.424 30 residues pruned to eliminate duplicates Z: 6 2.422 1.189 0.437 0.360 0.800 0.400 CB 0.922 Z: 14 10.981 2.015 0.312 0.513 0.846 0.538 CB 1.345 24 residues pruned to eliminate duplicates Z: 9 10.685 1.687 0.638 0.488 1.000 0.750 CB 1.384 9 residues pruned to eliminate duplicates Z: 21 28.625 2.175 0.653 0.887 0.900 0.500 CB 1.427 20 residues pruned to eliminate duplicates Z: 6 2.353 1.623 -0.098 0.432 0.800 0.600 CB 0.963 Z: 6 3.270 1.594 0.154 0.391 0.800 0.800 CB 1.115 Z: 17 14.010 2.247 0.562 0.272 0.938 0.438 CA 1.379 18 residues pruned to eliminate duplicates 6 1.934 1.312 0.482 0.292 0.600 0.400 C 0.936 ? Z: 6 3.646 1.553 0.057 0.421 0.800 0.400 N 1.349 Z: 7 2.662 1.550 0.383 0.427 0.500 0.500 CA 1.094 Z: 7 7.322 1.821 0.428 0.414 1.000 0.667 CA 1.258 8 residues pruned to eliminate duplicates 7 1.259 1.355 0.127 0.133 0.667 0.333 CA 0.798 ? Z: 14 8.396 1.783 0.353 0.438 0.923 0.462 CB 1.116 6 1.755 1.511 0.381 0.100 0.800 0.400 CB 0.783 ? Z: 17 27.025 2.193 0.573 0.799 0.938 0.688 CB 1.609 17 residues pruned to eliminate duplicates Z: 13 8.691 1.732 0.424 0.439 0.833 0.583 CA 1.300 12 residues pruned to eliminate duplicates Z: 6 2.680 1.336 0.463 0.392 0.800 0.200 O 0.859 Z: 23 15.852 1.971 0.615 0.402 0.955 0.455 CB 1.233 18 residues pruned to eliminate duplicates Z: 18 10.171 1.894 0.265 0.268 0.941 0.353 CA 1.424 18 residues pruned to eliminate duplicates Z: 8 4.031 1.486 0.142 0.545 0.714 0.429 C 1.202 8 residues pruned to eliminate duplicates Z: 7 4.577 1.635 0.302 0.495 1.000 0.833 CB 0.882 7 residues pruned to eliminate duplicates Z: 11 11.526 1.778 0.704 0.882 1.000 0.900 CA 0.871 10 residues pruned to eliminate duplicates Z: 8 11.683 2.185 0.331 0.689 0.857 0.571 CA 1.490 8 residues pruned to eliminate duplicates Z: 8 6.647 1.753 0.091 0.666 1.000 0.714 CB 1.127 Z: 6 2.832 1.369 0.299 0.405 1.000 0.800 CB 0.786 Z: 7 5.306 1.480 0.701 0.538 0.833 0.333 CA 0.995 7 residues pruned to eliminate duplicates Z: 9 14.872 2.086 0.608 0.651 1.000 0.625 CB 1.362 9 residues pruned to eliminate duplicates Z: 8 8.757 1.810 0.372 0.753 0.857 0.857 CA 1.241 8 residues pruned to eliminate duplicates Z: 7 3.044 1.576 0.467 0.393 0.833 0.333 CB 0.722 Z: 6 3.985 1.658 0.518 0.255 0.800 0.400 N 1.172 Z: 10 9.292 1.725 0.952 0.552 0.778 0.444 CB 1.124 10 residues pruned to eliminate duplicates 7 1.272 1.331 0.358 0.249 0.500 0.333 CB 0.767 ? Z: 11 6.670 1.593 0.528 0.455 0.900 0.400 CB 1.009 Z: 12 19.454 2.137 0.449 0.815 1.000 1.000 CA 1.441 12 residues pruned to eliminate duplicates Z: 6 4.540 1.373 0.833 0.295 1.000 0.800 N 1.015 Z: 8 6.864 1.638 0.644 0.333 0.857 0.714 CA 1.349 8 residues pruned to eliminate duplicates 9 1.971 1.305 0.318 0.191 0.750 0.500 CB 0.782 ? Z: 6 2.950 1.487 0.366 0.327 0.800 0.400 N 0.982 Z: 10 7.389 1.947 0.294 0.450 0.889 0.667 CA 1.157 11 residues pruned to eliminate duplicates Z: 6 7.496 1.836 0.015 0.744 1.000 0.800 CA 1.446 6 residues pruned to eliminate duplicates Z: 31 18.998 1.912 0.568 0.477 0.800 0.433 CB 1.481 31 residues pruned to eliminate duplicates Z: 7 5.672 1.545 0.227 0.652 1.000 0.500 N 1.061 Z: 29 15.562 2.102 0.321 0.395 0.821 0.536 CA 1.440 29 residues pruned to eliminate duplicates Z: 6 4.697 1.831 0.355 0.551 0.800 0.400 CB 1.007 6 residues pruned to eliminate duplicates 6 1.490 1.537 0.492 0.371 0.600 0.600 CB 0.556 ? Z: 7 2.877 1.627 -0.083 0.584 1.000 0.500 CB 0.726 Z: 11 6.665 1.683 0.534 0.400 0.700 0.400 N 1.296 11 residues pruned to eliminate duplicates Z: 14 5.335 1.684 0.412 0.292 0.692 0.538 CA 1.134 14 residues pruned to eliminate duplicates 6 1.743 1.469 0.225 0.320 0.600 0.400 CB 0.881 ? Z: 6 3.072 1.857 0.423 0.239 0.800 0.800 CB 0.879 4 residues pruned to eliminate duplicates Z: 15 20.256 1.985 0.649 0.572 1.000 0.643 CA 1.544 19 residues pruned to eliminate duplicates Z: 23 13.336 2.069 0.373 0.360 0.909 0.409 CB 1.281 23 residues pruned to eliminate duplicates Z: 38 18.994 2.138 0.548 0.264 0.892 0.568 CA 1.385 38 residues pruned to eliminate duplicates Z: 10 5.624 1.822 0.380 0.332 0.778 0.556 CB 1.151 9 residues pruned to eliminate duplicates Z: 19 28.016 2.221 0.568 0.897 0.889 0.444 CB 1.527 19 residues pruned to eliminate duplicates Z: 6 4.973 1.239 0.848 0.560 1.000 0.600 O 0.917 Z: 17 6.168 1.643 0.479 0.286 0.688 0.375 CB 1.175 Z: 6 5.557 2.053 0.332 0.364 0.800 0.600 CA 1.316 6 residues pruned to eliminate duplicates Z: 7 3.140 1.659 0.230 0.341 0.833 0.500 CB 0.896 Z: 7 3.659 1.689 0.165 0.394 0.833 0.667 CB 1.019 Z: 14 9.736 1.846 0.564 0.374 0.846 0.615 CA 1.264 10 residues pruned to eliminate duplicates Z: 17 7.644 1.721 0.437 0.417 0.938 0.438 CB 0.899 12 residues pruned to eliminate duplicates Z: 10 6.057 1.845 0.814 0.832 1.000 0.778 CB 0.453 10 residues pruned to eliminate duplicates Z: 11 9.338 1.766 0.583 0.472 0.900 0.400 CB 1.207 11 residues pruned to eliminate duplicates Z: 6 6.521 1.867 0.230 0.655 1.000 0.600 N 1.100 7 residues pruned to eliminate duplicates Z: 7 9.371 1.907 0.578 0.707 0.833 0.500 CB 1.264 7 residues pruned to eliminate duplicates Z: 17 12.137 2.103 0.337 0.425 0.875 0.562 CB 1.332 17 residues pruned to eliminate duplicates Z: 14 5.579 1.890 0.416 0.172 0.769 0.385 CB 1.118 14 residues pruned to eliminate duplicates Z: 8 5.608 1.731 0.597 0.446 0.714 0.429 CA 1.135 15 residues pruned to eliminate duplicates Z: 6 2.418 1.380 0.524 0.299 0.800 0.400 CB 0.804 Z: 6 5.315 1.690 0.424 0.285 1.000 0.800 CA 1.258 6 residues pruned to eliminate duplicates Z: 8 9.804 1.896 0.391 0.785 0.857 0.714 CA 1.276 8 residues pruned to eliminate duplicates Z: 17 6.283 1.633 0.432 0.275 0.750 0.312 CB 1.156 12 residues pruned to eliminate duplicates Z: 8 9.744 1.803 0.503 0.658 1.000 0.714 CA 1.174 8 residues pruned to eliminate duplicates Z: 16 13.203 2.014 0.330 0.530 1.000 0.800 CB 1.235 16 residues pruned to eliminate duplicates Z: 21 9.652 1.668 0.532 0.492 0.750 0.500 CB 1.136 10 residues pruned to eliminate duplicates Z: 7 8.739 1.783 0.442 0.533 1.000 0.667 N 1.343 7 residues pruned to eliminate duplicates Z: 10 4.806 1.526 0.057 0.524 0.889 0.556 CB 1.091 Z: 7 3.242 1.293 1.098 0.296 0.833 0.500 CB 0.736 Z: 16 6.135 1.703 0.446 0.212 0.667 0.267 CB 1.355 16 residues pruned to eliminate duplicates Z: 9 8.090 1.847 0.006 0.891 0.875 0.875 CA 1.264 9 residues pruned to eliminate duplicates Z: 7 4.235 1.435 0.043 0.697 1.000 0.500 CB 0.966 Z: 8 3.566 1.385 0.483 0.273 0.857 0.429 C 0.989 Z: 14 15.773 2.059 0.583 0.582 0.923 0.692 CB 1.344 19 residues pruned to eliminate duplicates 6 1.600 1.375 -0.056 0.457 0.800 0.600 C 0.721 ? Z: 8 3.086 1.657 -0.123 0.294 0.857 0.571 N 1.179 Z: 6 5.423 1.619 0.587 0.481 0.800 0.600 CA 1.203 Z: 6 2.571 1.418 0.454 0.564 1.000 0.400 CA 0.524 Z: 36 17.747 2.079 0.432 0.325 0.829 0.514 CB 1.474 36 residues pruned to eliminate duplicates Z: 6 3.042 1.459 0.163 0.589 0.800 0.800 CA 0.921 6 residues pruned to eliminate duplicates 6 1.531 1.353 -0.046 0.337 0.800 0.600 CB 0.793 ? Z: 9 9.784 1.827 0.609 0.639 0.875 0.875 CB 1.181 9 residues pruned to eliminate duplicates Z: 22 44.285 2.084 1.045 0.935 1.000 0.524 CB 1.580 22 residues pruned to eliminate duplicates Z: 22 16.215 2.236 0.407 0.336 0.905 0.476 CB 1.486 22 residues pruned to eliminate duplicates Z: 25 8.535 1.896 0.250 0.307 0.792 0.458 CB 1.151 25 residues pruned to eliminate duplicates Z: 6 4.359 1.609 0.221 0.598 1.000 0.400 CA 0.903 6 residues pruned to eliminate duplicates Z: 34 25.991 1.950 0.477 0.693 0.970 0.818 CA 1.358 34 residues pruned to eliminate duplicates Z: 6 2.102 1.501 0.384 0.399 0.800 0.800 N 0.629 Z: 8 5.116 1.654 0.597 0.425 0.857 0.429 CB 0.923 8 residues pruned to eliminate duplicates Z: 14 25.597 1.954 1.001 0.846 0.923 0.615 CA 1.462 14 residues pruned to eliminate duplicates 6 1.507 1.298 0.235 0.478 0.600 0.400 N 0.717 ? Z: 42 26.269 2.149 0.352 0.599 0.829 0.610 CB 1.549 42 residues pruned to eliminate duplicates Z: 12 8.606 1.749 0.505 0.627 0.909 0.636 CA 0.963 12 residues pruned to eliminate duplicates Z: 9 3.687 1.623 0.046 0.353 0.750 0.375 CB 1.199 9 residues pruned to eliminate duplicates Z: 11 7.777 1.901 0.166 0.479 0.900 0.800 CB 1.260 11 residues pruned to eliminate duplicates Z: 15 7.246 1.773 0.481 0.369 0.714 0.500 CA 1.188 Z: 6 11.123 1.786 0.872 0.793 0.800 0.600 N 1.439 6 residues pruned to eliminate duplicates Z: 13 2.835 1.303 0.373 0.199 0.833 0.417 CB 0.786 Z: 11 12.710 2.125 0.483 0.896 1.000 1.000 CA 0.913 11 residues pruned to eliminate duplicates Z: 10 5.045 1.682 0.540 0.377 0.889 0.444 CB 0.833 Z: 8 4.274 1.746 0.326 0.308 0.714 0.571 CB 1.209 8 residues pruned to eliminate duplicates Z: 7 3.588 1.372 0.457 0.661 0.833 0.667 CB 0.757 Z: 6 4.057 1.370 0.444 0.530 0.800 0.600 C 1.113 Z: 45 38.770 2.224 0.413 0.669 0.977 0.682 CB 1.627 45 residues pruned to eliminate duplicates Z: 12 3.535 1.473 0.072 0.224 0.818 0.545 C 1.140 11 residues pruned to eliminate duplicates Z: 7 6.164 1.716 0.301 0.399 1.000 0.500 CA 1.254 7 residues pruned to eliminate duplicates Z: 11 3.267 1.560 0.494 0.373 0.700 0.500 CB 0.725 11 residues pruned to eliminate duplicates Z: 20 10.427 1.886 0.277 0.315 0.842 0.737 CA 1.447 20 residues pruned to eliminate duplicates Z: 8 2.725 1.338 0.598 0.188 0.714 0.286 CB 0.980 Z: 7 3.518 1.572 0.590 0.177 0.833 0.167 CA 1.019 7 residues pruned to eliminate duplicates Z: 7 3.323 1.400 0.180 0.583 0.833 0.833 CA 0.910 Z: 17 15.633 2.166 0.414 0.495 0.938 0.562 CA 1.368 17 residues pruned to eliminate duplicates Z: 8 4.502 1.404 0.303 0.588 0.857 0.714 CB 0.997 Z: 6 3.358 1.064 1.241 0.386 1.000 0.400 CB 0.711 6 1.416 1.131 0.086 0.468 0.800 0.800 CB 0.666 ? Z: 10 9.162 1.903 0.412 0.474 0.889 0.667 CA 1.313 10 residues pruned to eliminate duplicates Z: 6 3.711 1.557 0.451 0.298 0.800 0.800 O 1.150 Z: 11 10.960 1.756 0.659 0.499 0.800 0.600 CA 1.488 11 residues pruned to eliminate duplicates 6 1.690 1.494 -0.066 0.299 0.800 0.800 CB 0.848 ? Z: 11 3.858 1.762 0.110 0.242 0.800 0.600 CB 1.050 Z: 12 12.420 1.777 0.448 0.760 0.909 0.636 CA 1.270 12 residues pruned to eliminate duplicates Z: 10 9.799 1.795 0.097 0.804 1.000 0.667 CB 1.271 10 residues pruned to eliminate duplicates Z: 33 22.451 2.029 0.619 0.529 0.875 0.562 CB 1.341 33 residues pruned to eliminate duplicates Z: 8 11.203 1.702 0.679 0.864 1.000 0.714 CA 1.086 8 residues pruned to eliminate duplicates Z: 21 14.919 2.031 0.405 0.406 0.900 0.650 CB 1.433 21 residues pruned to eliminate duplicates Z: 22 24.105 2.127 0.462 0.791 1.000 0.619 CB 1.310 22 residues pruned to eliminate duplicates Z: 22 19.297 2.029 0.614 0.729 1.000 0.714 CA 1.047 22 residues pruned to eliminate duplicates Z: 19 31.278 2.153 0.754 0.791 1.000 0.667 CA 1.512 19 residues pruned to eliminate duplicates Z: 10 8.780 1.736 0.763 0.451 0.778 0.444 N 1.294 10 residues pruned to eliminate duplicates 6 1.267 1.701 0.513 0.453 0.600 0.400 CB 0.385 ? Z: 6 2.301 1.293 0.443 0.493 0.600 0.400 CB 0.926 Z: 11 12.950 2.173 0.117 0.825 0.900 0.600 CB 1.414 11 residues pruned to eliminate duplicates Z: 7 2.865 1.354 0.680 0.256 0.667 0.500 C 1.020 Z: 17 20.777 2.116 0.457 0.763 1.000 0.625 CA 1.333 17 residues pruned to eliminate duplicates Z: 12 3.274 1.595 0.067 0.353 0.727 0.455 CB 0.935 Z: 6 3.874 1.334 0.492 0.664 0.800 0.400 C 0.934 Z: 9 8.830 1.956 0.355 0.494 1.000 0.500 CB 1.185 9 residues pruned to eliminate duplicates Z: 22 12.602 1.797 0.518 0.439 0.952 0.667 CA 1.127 22 residues pruned to eliminate duplicates 6 1.824 1.270 0.012 0.380 0.800 0.400 CB 0.901 ? Z: 8 3.517 1.592 0.170 0.468 0.714 0.571 CB 1.033 8 residues pruned to eliminate duplicates Z: 7 2.146 1.422 0.196 0.262 0.833 0.500 CA 0.812 6 1.650 1.279 0.368 0.343 0.600 0.600 C 0.834 ? Z: 9 4.723 1.490 0.234 0.531 0.750 0.500 CA 1.174 Z: 9 2.727 1.729 0.037 0.161 0.750 0.375 CB 1.084 9 residues pruned to eliminate duplicates Z: 6 3.017 1.302 0.516 0.455 0.800 0.600 CA 0.895 6 residues pruned to eliminate duplicates 7 1.269 1.287 0.368 0.257 0.500 0.333 CB 0.778 ? Z: 46 37.218 2.039 0.764 0.590 0.978 0.667 CB 1.447 46 residues pruned to eliminate duplicates Z: 7 9.574 1.993 0.405 0.631 1.000 0.667 CA 1.235 7 residues pruned to eliminate duplicates 7 1.269 1.252 -0.060 0.154 0.833 0.500 N 0.808 ? Z: 25 15.594 2.155 0.489 0.329 0.875 0.500 CB 1.368 25 residues pruned to eliminate duplicates Z: 11 4.175 1.553 0.421 0.354 0.900 0.600 CB 0.778 11 residues pruned to eliminate duplicates Z: 7 2.675 1.875 -0.036 0.106 0.833 0.167 CB 1.196 Z: 20 16.655 2.010 0.457 0.854 1.000 0.789 CA 0.963 20 residues pruned to eliminate duplicates Z: 9 7.928 1.826 0.485 0.388 1.000 0.625 CB 1.165 Z: 28 11.476 2.008 0.300 0.355 0.704 0.370 CB 1.406 28 residues pruned to eliminate duplicates Z: 15 23.804 2.204 0.885 0.830 0.857 0.429 CB 1.343 15 residues pruned to eliminate duplicates Z: 11 4.612 1.450 0.568 0.340 0.700 0.400 N 1.090 Z: 10 4.238 1.314 0.363 0.455 0.889 0.444 N 0.929 Z: 9 2.380 1.201 0.522 0.546 0.625 0.500 C 0.705 Z: 13 6.149 1.749 0.323 0.442 0.750 0.583 CA 1.086 13 residues pruned to eliminate duplicates Z: 9 9.400 1.889 0.432 0.610 0.875 0.625 CB 1.265 9 residues pruned to eliminate duplicates Z: 11 12.114 1.942 0.459 0.611 0.900 0.800 CB 1.352 11 residues pruned to eliminate duplicates Z: 18 8.501 1.786 0.329 0.339 0.824 0.294 CB 1.257 18 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 4.397 1.518 0.788 0.288 0.833 0.500 N 1.007 7 residues pruned to eliminate duplicates Z: 7 6.700 1.737 0.883 0.479 0.667 0.500 CB 1.282 Z: 9 9.952 1.866 0.572 0.416 0.875 0.500 CA 1.496 7 residues pruned to eliminate duplicates Z: 6 5.576 1.549 0.521 0.460 1.000 0.600 N 1.102 Z: 9 8.209 1.863 0.376 0.456 0.750 0.500 CA 1.578 6 residues pruned to eliminate duplicates Z: 11 4.815 1.508 0.103 0.481 0.800 0.400 CB 1.166 10 residues pruned to eliminate duplicates Z: 9 6.128 1.550 0.552 0.440 0.875 0.375 CB 1.095 9 residues pruned to eliminate duplicates Z: 7 5.955 1.826 0.281 0.414 0.833 0.333 CA 1.364 7 residues pruned to eliminate duplicates Z: 8 4.016 1.735 0.265 0.282 0.714 0.571 CB 1.238 8 residues pruned to eliminate duplicates Z: 9 6.206 1.708 0.237 0.390 0.875 0.375 CA 1.335 7 residues pruned to eliminate duplicates Z: 7 4.072 1.406 0.583 0.428 0.833 0.667 N 0.965 7 residues pruned to eliminate duplicates Z: 30 15.341 1.769 0.529 0.417 0.862 0.483 CA 1.333 24 residues pruned to eliminate duplicates Z: 6 2.471 1.313 0.310 0.313 0.800 0.600 O 0.987 6 residues pruned to eliminate duplicates Z: 16 13.978 2.068 0.204 0.608 0.933 0.600 CB 1.402 16 residues pruned to eliminate duplicates Z: 17 12.132 1.997 0.106 0.535 0.938 0.750 CB 1.415 17 residues pruned to eliminate duplicates Z: 7 5.660 1.574 0.298 0.480 1.000 0.500 N 1.154 7 residues pruned to eliminate duplicates Z: 11 14.023 2.167 0.129 0.713 0.900 0.800 CA 1.661 14 residues pruned to eliminate duplicates Z: 7 6.127 1.558 0.780 0.418 1.000 0.500 CA 0.982 7 residues pruned to eliminate duplicates Z: 16 16.753 2.003 0.456 0.519 0.933 0.467 CA 1.559 16 residues pruned to eliminate duplicates Z: 16 17.418 1.998 0.685 0.486 0.867 0.533 CA 1.563 16 residues pruned to eliminate duplicates Z: 14 20.280 2.137 0.513 0.605 0.923 0.538 CA 1.704 14 residues pruned to eliminate duplicates Z: 15 17.424 2.027 0.674 0.548 0.857 0.643 CA 1.527 16 residues pruned to eliminate duplicates Z: 6 6.246 1.760 0.528 0.434 1.000 0.800 CA 1.112 6 residues pruned to eliminate duplicates Z: 16 17.107 1.994 0.536 0.517 0.867 0.467 CA 1.636 15 residues pruned to eliminate duplicates Z: 15 20.155 2.054 0.495 0.572 1.000 0.500 CA 1.636 15 residues pruned to eliminate duplicates Z: 17 16.052 1.953 0.664 0.494 0.812 0.562 CA 1.529 17 residues pruned to eliminate duplicates Z: 16 18.335 1.975 0.571 0.508 0.933 0.467 CA 1.622 16 residues pruned to eliminate duplicates Z: 9 17.611 2.143 0.556 0.498 1.000 0.625 C 1.871 9 residues pruned to eliminate duplicates Z: 17 18.699 1.970 0.702 0.467 0.938 0.562 CA 1.537 17 residues pruned to eliminate duplicates Z: 27 24.323 2.248 0.522 0.406 0.962 0.462 CB 1.600 27 residues pruned to eliminate duplicates Z: 7 6.039 1.844 0.343 0.433 1.000 0.500 CA 1.067 6 residues pruned to eliminate duplicates Z: 7 5.911 1.718 0.584 0.286 0.833 0.333 CB 1.354 7 residues pruned to eliminate duplicates Z: 27 18.692 2.252 0.449 0.333 0.846 0.462 CA 1.594 27 residues pruned to eliminate duplicates Z: 26 25.164 2.252 0.694 0.389 0.960 0.520 CB 1.545 26 residues pruned to eliminate duplicates Z: 27 21.267 2.209 0.614 0.353 0.885 0.385 CB 1.551 27 residues pruned to eliminate duplicates Z: 15 12.671 2.171 0.434 0.284 0.929 0.357 CB 1.495 15 residues pruned to eliminate duplicates Z: 62 27.032 2.160 0.464 0.297 0.869 0.492 CB 1.580 62 residues pruned to eliminate duplicates Z: 28 18.259 2.175 0.556 0.280 0.852 0.481 CB 1.564 28 residues pruned to eliminate duplicates Z: 26 23.616 2.218 0.639 0.360 0.960 0.480 CA 1.574 26 residues pruned to eliminate duplicates Z: 27 14.413 2.100 0.248 0.334 0.846 0.462 CA 1.529 27 residues pruned to eliminate duplicates Z: 27 25.053 2.239 0.623 0.391 0.962 0.500 CA 1.578 27 residues pruned to eliminate duplicates Z: 27 20.160 2.219 0.596 0.315 0.885 0.423 CA 1.549 27 residues pruned to eliminate duplicates Z: 20 12.766 2.128 0.404 0.303 0.789 0.526 CB 1.546 20 residues pruned to eliminate duplicates Z: 24 21.476 2.320 0.601 0.309 0.913 0.435 CA 1.633 24 residues pruned to eliminate duplicates Z: 29 19.614 2.181 0.534 0.324 0.893 0.464 CB 1.505 29 residues pruned to eliminate duplicates Z: 27 19.382 2.229 0.592 0.340 0.846 0.500 CA 1.508 27 residues pruned to eliminate duplicates Z: 27 22.009 2.236 0.665 0.341 0.923 0.385 CA 1.494 27 residues pruned to eliminate duplicates Z: 24 22.765 2.312 0.590 0.338 0.957 0.478 CB 1.611 24 residues pruned to eliminate duplicates Z: 24 20.207 2.288 0.582 0.311 0.913 0.522 CA 1.572 24 residues pruned to eliminate duplicates Z: 18 13.707 2.109 0.667 0.320 0.824 0.529 CA 1.400 18 residues pruned to eliminate duplicates Z: 29 20.258 2.135 0.589 0.311 0.929 0.607 CA 1.498 29 residues pruned to eliminate duplicates Z: 24 20.295 2.302 0.628 0.252 0.957 0.478 CA 1.571 24 residues pruned to eliminate duplicates Z: 35 19.485 2.153 0.593 0.285 0.882 0.441 CA 1.406 35 residues pruned to eliminate duplicates Z: 28 20.572 2.183 0.455 0.388 0.926 0.481 CB 1.516 28 residues pruned to eliminate duplicates Z: 60 20.924 2.068 0.436 0.315 0.831 0.559 CB 1.356 60 residues pruned to eliminate duplicates Z: 61 25.221 2.174 0.523 0.294 0.850 0.483 CB 1.458 61 residues pruned to eliminate duplicates Z: 42 22.734 2.169 0.532 0.307 0.927 0.488 CA 1.429 42 residues pruned to eliminate duplicates Z: 19 12.772 2.003 0.468 0.309 1.000 0.389 CB 1.266 19 residues pruned to eliminate duplicates Z: 19 13.617 2.111 0.402 0.366 0.944 0.389 CA 1.326 19 residues pruned to eliminate duplicates Z: 32 17.148 2.059 0.386 0.349 0.903 0.516 CB 1.408 32 residues pruned to eliminate duplicates Z: 50 18.566 2.063 0.385 0.288 0.816 0.429 CB 1.443 50 residues pruned to eliminate duplicates Z: 70 25.783 2.099 0.432 0.313 0.870 0.464 CB 1.460 70 residues pruned to eliminate duplicates Z: 35 19.116 2.137 0.292 0.362 0.882 0.529 CB 1.562 35 residues pruned to eliminate duplicates Z: 23 13.973 2.097 0.389 0.354 0.909 0.545 CA 1.317 23 residues pruned to eliminate duplicates Z: 62 23.467 2.132 0.492 0.277 0.852 0.492 CB 1.427 62 residues pruned to eliminate duplicates Z: 82 44.967 2.224 0.486 0.524 0.926 0.556 CB 1.594 82 residues pruned to eliminate duplicates Z: 45 20.384 2.122 0.378 0.321 0.841 0.477 CB 1.523 45 residues pruned to eliminate duplicates Z: 40 19.462 2.123 0.413 0.364 0.846 0.538 CB 1.422 40 residues pruned to eliminate duplicates Z: 28 18.220 2.122 0.388 0.420 0.852 0.556 CB 1.520 28 residues pruned to eliminate duplicates Z: 42 20.483 2.109 0.430 0.332 0.854 0.390 CA 1.493 42 residues pruned to eliminate duplicates Z: 22 9.742 2.036 0.163 0.308 0.810 0.333 CB 1.372 22 residues pruned to eliminate duplicates Z: 17 9.002 2.045 0.023 0.359 0.812 0.562 CB 1.542 17 residues pruned to eliminate duplicates Z: 16 9.938 2.206 0.108 0.371 0.800 0.667 CB 1.508 16 residues pruned to eliminate duplicates Z: 16 8.404 2.203 0.022 0.351 0.733 0.467 CB 1.545 16 residues pruned to eliminate duplicates Z: 20 9.002 2.088 0.218 0.278 0.737 0.579 CB 1.417 20 residues pruned to eliminate duplicates Z: 21 11.305 2.098 0.176 0.338 0.800 0.350 CB 1.528 21 residues pruned to eliminate duplicates Z: 16 8.913 2.211 0.046 0.344 0.800 0.600 CB 1.473 16 residues pruned to eliminate duplicates Z: 30 13.217 2.094 0.215 0.314 0.828 0.483 CB 1.431 30 residues pruned to eliminate duplicates Z: 38 15.790 2.034 0.365 0.311 0.838 0.432 CB 1.376 38 residues pruned to eliminate duplicates Z: 22 10.532 2.097 0.185 0.340 0.762 0.429 CB 1.447 22 residues pruned to eliminate duplicates Z: 20 10.020 2.041 0.281 0.273 0.789 0.526 CB 1.441 20 residues pruned to eliminate duplicates Z: 15 6.595 1.974 0.183 0.223 0.786 0.500 CB 1.329 15 residues pruned to eliminate duplicates Z: 37 17.367 2.095 0.349 0.342 0.806 0.583 CB 1.510 37 residues pruned to eliminate duplicates Z: 7 4.627 1.876 0.357 0.216 0.667 0.167 N 1.554 7 residues pruned to eliminate duplicates Z: 9 6.476 1.814 0.443 0.480 0.750 0.125 CB 1.190 9 residues pruned to eliminate duplicates Z: 7 2.624 1.525 0.267 0.391 0.667 0.333 N 0.934 7 residues pruned to eliminate duplicates Z: 41 23.484 2.118 0.524 0.405 0.800 0.500 CB 1.590 41 residues pruned to eliminate duplicates Z: 43 43.276 2.282 0.513 0.692 0.952 0.690 CA 1.704 43 residues pruned to eliminate duplicates Z: 43 43.778 2.298 0.476 0.699 1.000 0.738 CA 1.660 43 residues pruned to eliminate duplicates Z: 42 44.677 2.306 0.470 0.727 1.000 0.854 CA 1.678 42 residues pruned to eliminate duplicates Z: 41 38.434 2.311 0.356 0.702 1.000 0.775 CA 1.613 41 residues pruned to eliminate duplicates Z: 31 22.408 2.102 0.639 0.435 0.833 0.400 CA 1.523 31 residues pruned to eliminate duplicates Z: 24 35.848 2.288 0.656 0.711 1.000 0.522 CA 1.629 24 residues pruned to eliminate duplicates Z: 20 16.638 2.222 0.441 0.511 0.842 0.579 CA 1.401 20 residues pruned to eliminate duplicates Z: 46 44.436 2.255 0.582 0.668 0.933 0.622 CA 1.703 46 residues pruned to eliminate duplicates Z: 53 40.706 2.282 0.557 0.600 0.923 0.558 CB 1.564 53 residues pruned to eliminate duplicates Z: 40 38.235 2.270 0.515 0.649 0.949 0.590 CA 1.634 40 residues pruned to eliminate duplicates Z: 17 20.708 2.274 0.649 0.529 0.875 0.375 CA 1.532 17 residues pruned to eliminate duplicates Z: 40 45.121 2.330 0.566 0.698 0.949 0.564 CB 1.742 40 residues pruned to eliminate duplicates Z: 73 49.440 2.237 0.487 0.602 0.986 0.569 CB 1.611 73 residues pruned to eliminate duplicates Z: 20 39.177 2.338 0.622 0.927 0.947 0.474 CB 1.754 20 residues pruned to eliminate duplicates Z: 40 39.796 2.267 0.506 0.679 0.949 0.590 CB 1.669 40 residues pruned to eliminate duplicates Z: 58 34.355 2.218 0.377 0.565 0.860 0.456 CB 1.628 58 residues pruned to eliminate duplicates Z: 39 35.416 2.219 0.476 0.624 0.947 0.553 CB 1.647 39 residues pruned to eliminate duplicates Z: 44 32.654 2.170 0.459 0.577 0.884 0.581 CB 1.651 44 residues pruned to eliminate duplicates Z: 34 38.484 2.277 0.489 0.794 0.939 0.606 CB 1.626 34 residues pruned to eliminate duplicates Z: 44 36.133 2.239 0.364 0.665 0.907 0.535 CB 1.707 44 residues pruned to eliminate duplicates Z: 43 42.444 2.285 0.505 0.683 0.952 0.595 CA 1.690 43 residues pruned to eliminate duplicates Z: 42 42.528 2.291 0.497 0.725 0.951 0.610 CA 1.662 42 residues pruned to eliminate duplicates Z: 44 38.595 2.240 0.489 0.669 0.953 0.628 CB 1.583 44 residues pruned to eliminate duplicates Z: 48 38.094 2.184 0.490 0.649 0.915 0.553 CA 1.624 48 residues pruned to eliminate duplicates Z: 43 43.445 2.291 0.538 0.675 0.976 0.500 CB 1.659 43 residues pruned to eliminate duplicates Z: 46 40.264 2.245 0.528 0.649 0.956 0.533 CA 1.593 46 residues pruned to eliminate duplicates Z: 33 34.801 2.240 0.529 0.696 0.969 0.531 CB 1.550 33 residues pruned to eliminate duplicates Z: 35 39.354 2.281 0.541 0.751 0.941 0.559 CB 1.630 35 residues pruned to eliminate duplicates Z: 59 35.550 2.193 0.583 0.530 0.879 0.310 CB 1.485 59 residues pruned to eliminate duplicates Z: 44 40.846 2.253 0.560 0.683 0.930 0.535 CB 1.610 44 residues pruned to eliminate duplicates Z: 49 43.681 2.285 0.656 0.600 0.958 0.458 CB 1.580 49 residues pruned to eliminate duplicates Z: 29 37.153 2.330 0.534 0.740 0.929 0.536 CB 1.706 29 residues pruned to eliminate duplicates Z: 44 37.231 2.229 0.437 0.674 0.953 0.488 CB 1.584 44 residues pruned to eliminate duplicates Z: 43 42.358 2.300 0.552 0.659 0.952 0.571 CA 1.659 43 residues pruned to eliminate duplicates Z: 28 22.699 2.237 0.472 0.653 0.815 0.407 CB 1.413 28 residues pruned to eliminate duplicates Z: 56 35.652 2.223 0.544 0.556 0.891 0.327 CB 1.488 56 residues pruned to eliminate duplicates Z: 23 14.071 2.131 0.469 0.404 0.773 0.409 CB 1.373 23 residues pruned to eliminate duplicates Z: 54 39.651 2.247 0.564 0.571 0.906 0.472 CB 1.597 54 residues pruned to eliminate duplicates Z: 44 45.525 2.274 0.671 0.668 0.953 0.581 CA 1.640 44 residues pruned to eliminate duplicates Z: 45 38.188 2.244 0.600 0.616 0.909 0.432 CB 1.580 45 residues pruned to eliminate duplicates Z: 31 18.387 2.143 0.502 0.406 0.867 0.367 CB 1.329 31 residues pruned to eliminate duplicates Z: 26 21.669 2.271 0.448 0.447 0.960 0.480 CB 1.449 26 residues pruned to eliminate duplicates Z: 51 29.403 2.184 0.604 0.488 0.900 0.460 CB 1.334 51 residues pruned to eliminate duplicates Z: 31 24.726 2.143 0.658 0.449 0.900 0.567 CB 1.488 31 residues pruned to eliminate duplicates Z: 11 16.029 2.293 0.791 0.309 0.900 0.300 CA 1.696 11 residues pruned to eliminate duplicates Z: 13 14.737 2.168 0.804 0.254 1.000 0.333 CB 1.442 13 residues pruned to eliminate duplicates Z: 28 21.704 2.282 0.354 0.457 0.889 0.519 CB 1.590 28 residues pruned to eliminate duplicates Z: 28 18.916 2.210 0.509 0.451 0.852 0.333 CB 1.347 28 residues pruned to eliminate duplicates Z: 14 10.434 2.134 0.623 0.228 0.846 0.385 CB 1.356 14 residues pruned to eliminate duplicates Z: 31 27.829 2.151 0.714 0.496 0.933 0.533 CB 1.481 31 residues pruned to eliminate duplicates Z: 64 47.754 2.252 0.716 0.581 0.952 0.413 CB 1.513 64 residues pruned to eliminate duplicates Z: 11 16.523 2.293 0.811 0.279 0.900 0.400 CB 1.794 11 residues pruned to eliminate duplicates Z: 6 4.023 1.778 0.296 0.415 0.800 0.400 CA 1.067 4 residues pruned to eliminate duplicates Z: 8 8.055 1.828 0.086 0.731 1.000 0.714 CA 1.245 9 residues pruned to eliminate duplicates Z: 7 8.776 1.902 0.206 0.746 1.000 0.667 CA 1.254 7 residues pruned to eliminate duplicates Z: 14 10.179 1.753 0.494 0.560 0.846 0.615 CA 1.201 14 residues pruned to eliminate duplicates Z: 14 12.187 1.755 0.572 0.474 0.923 0.692 CA 1.362 14 residues pruned to eliminate duplicates Z: 11 8.699 1.717 0.531 0.466 1.000 0.700 CA 1.083 11 residues pruned to eliminate duplicates Z: 7 7.486 1.917 0.473 0.556 0.833 0.833 N 1.229 7 residues pruned to eliminate duplicates Z: 7 7.038 1.829 0.419 0.710 1.000 0.833 CA 0.915 7 residues pruned to eliminate duplicates Z: 8 6.780 1.836 0.403 0.603 0.857 0.714 CA 1.052 9 residues pruned to eliminate duplicates Z: 16 12.576 2.148 0.547 0.468 0.800 0.467 CB 1.261 16 residues pruned to eliminate duplicates Z: 25 19.617 2.082 0.605 0.483 0.875 0.333 CB 1.394 25 residues pruned to eliminate duplicates Z: 18 19.546 2.165 0.431 0.613 0.882 0.647 CB 1.558 18 residues pruned to eliminate duplicates Z: 20 18.339 2.002 0.544 0.562 0.947 0.421 CB 1.353 20 residues pruned to eliminate duplicates Z: 18 24.715 2.137 0.839 0.589 0.941 0.647 CB 1.488 18 residues pruned to eliminate duplicates Z: 18 29.166 2.182 0.695 0.705 1.000 0.706 CB 1.588 18 residues pruned to eliminate duplicates Z: 13 19.113 2.033 0.511 0.649 1.000 0.667 CA 1.563 13 residues pruned to eliminate duplicates Z: 18 25.127 2.147 0.747 0.697 0.941 0.588 CB 1.442 18 residues pruned to eliminate duplicates Z: 20 20.960 1.995 0.534 0.624 0.947 0.737 CB 1.475 20 residues pruned to eliminate duplicates Z: 15 21.034 2.131 0.660 0.629 1.000 0.643 CB 1.408 15 residues pruned to eliminate duplicates Z: 18 26.522 2.146 0.735 0.661 1.000 0.588 CB 1.488 18 residues pruned to eliminate duplicates Z: 14 17.612 2.073 0.578 0.628 0.846 0.692 CA 1.565 14 residues pruned to eliminate duplicates Z: 17 23.422 2.228 0.624 0.655 0.938 0.625 CB 1.495 17 residues pruned to eliminate duplicates Z: 15 25.458 2.105 0.865 0.625 0.929 0.643 CA 1.659 15 residues pruned to eliminate duplicates Z: 11 18.206 1.918 0.679 0.797 1.000 0.400 CA 1.378 11 residues pruned to eliminate duplicates Z: 11 17.120 1.974 0.642 0.775 0.900 0.300 CA 1.456 11 residues pruned to eliminate duplicates Z: 6 2.956 1.407 0.195 0.340 1.000 0.800 CA 0.937 6 residues pruned to eliminate duplicates Z: 7 5.535 1.990 0.300 0.256 1.000 0.667 CA 1.155 14 residues pruned to eliminate duplicates Z: 9 8.653 1.663 0.607 0.505 1.000 0.250 CA 1.139 8 residues pruned to eliminate duplicates Z: 6 4.714 1.735 -0.057 0.603 1.000 0.200 CB 1.168 6 residues pruned to eliminate duplicates Z: 14 7.715 1.886 0.355 0.423 0.769 0.231 CB 1.179 13 residues pruned to eliminate duplicates Z: 7 8.427 1.704 0.429 0.645 1.000 0.333 CA 1.234 7 residues pruned to eliminate duplicates Z: 7 12.589 1.999 0.702 0.636 1.000 0.500 CA 1.329 7 residues pruned to eliminate duplicates Z: 6 9.490 2.005 0.442 0.536 1.000 0.200 CA 1.416 6 residues pruned to eliminate duplicates Z: 11 4.555 1.634 -0.096 0.321 0.900 0.200 CA 1.319 11 residues pruned to eliminate duplicates Z: 10 6.729 1.667 0.315 0.376 0.889 0.444 N 1.313 10 residues pruned to eliminate duplicates Z: 9 3.094 1.546 0.410 0.062 0.875 0.125 CA 1.020 Z: 10 9.483 1.754 0.460 0.534 1.000 0.667 CA 1.195 15 residues pruned to eliminate duplicates Z: 6 6.740 1.862 1.013 0.310 0.800 0.600 CA 1.241 6 residues pruned to eliminate duplicates Z: 16 16.832 2.076 0.385 0.565 1.000 0.867 CB 1.419 16 residues pruned to eliminate duplicates Z: 16 17.725 2.104 0.390 0.586 1.000 0.800 CB 1.441 16 residues pruned to eliminate duplicates Z: 15 20.300 2.088 0.544 0.587 1.000 0.643 CB 1.549 15 residues pruned to eliminate duplicates Z: 15 19.144 2.080 0.444 0.636 1.000 0.857 CB 1.500 15 residues pruned to eliminate duplicates Z: 15 18.104 2.098 0.383 0.618 1.000 0.786 CB 1.491 15 residues pruned to eliminate duplicates Z: 16 18.507 2.110 0.465 0.567 1.000 0.733 CB 1.449 16 residues pruned to eliminate duplicates Z: 18 16.812 2.065 0.332 0.524 1.000 0.647 CB 1.449 18 residues pruned to eliminate duplicates Z: 17 17.631 2.060 0.405 0.547 1.000 0.750 CB 1.454 17 residues pruned to eliminate duplicates Z: 19 16.039 1.977 0.283 0.539 1.000 0.611 CB 1.434 19 residues pruned to eliminate duplicates Z: 23 11.259 1.912 0.433 0.453 0.727 0.500 CB 1.265 23 residues pruned to eliminate duplicates Z: 35 21.087 1.956 0.553 0.655 0.912 0.706 CA 1.131 35 residues pruned to eliminate duplicates Z: 33 22.419 2.067 0.591 0.657 0.938 0.594 CA 1.111 33 residues pruned to eliminate duplicates Z: 8 14.992 2.172 0.479 0.699 1.000 1.000 CA 1.471 8 residues pruned to eliminate duplicates Z: 10 10.795 1.942 0.657 0.542 0.889 0.778 CA 1.208 10 residues pruned to eliminate duplicates Z: 18 13.814 1.965 0.522 0.561 0.882 0.647 CA 1.197 18 residues pruned to eliminate duplicates Z: 9 17.191 2.075 0.827 0.599 1.000 0.875 CB 1.459 9 residues pruned to eliminate duplicates Z: 23 22.511 2.066 0.628 0.759 1.000 0.545 CA 1.133 23 residues pruned to eliminate duplicates Z: 32 17.961 1.984 0.564 0.652 0.968 0.677 CA 0.933 32 residues pruned to eliminate duplicates Z: 43 22.995 1.997 0.533 0.551 0.881 0.548 CA 1.251 43 residues pruned to eliminate duplicates Z: 19 23.889 2.168 0.744 0.877 1.000 0.889 CA 1.081 19 residues pruned to eliminate duplicates Z: 25 19.215 2.008 0.591 0.696 0.958 0.542 CA 1.070 25 residues pruned to eliminate duplicates Z: 31 18.007 1.921 0.597 0.611 0.900 0.600 CA 1.072 31 residues pruned to eliminate duplicates Z: 28 26.550 2.116 0.652 0.703 1.000 0.556 CA 1.214 28 residues pruned to eliminate duplicates Z: 24 18.078 2.043 0.428 0.688 0.870 0.522 CA 1.250 24 residues pruned to eliminate duplicates Z: 23 18.990 2.089 0.445 0.766 0.955 0.500 CA 1.110 23 residues pruned to eliminate duplicates Z: 24 20.481 2.056 0.571 0.755 0.913 0.522 CA 1.155 24 residues pruned to eliminate duplicates Z: 46 19.924 1.993 0.431 0.558 0.911 0.556 CA 1.081 46 residues pruned to eliminate duplicates Z: 32 26.124 2.066 0.517 0.683 1.000 0.645 CA 1.265 32 residues pruned to eliminate duplicates Z: 21 21.117 2.105 0.471 0.775 1.000 0.700 CA 1.196 21 residues pruned to eliminate duplicates Z: 52 28.761 2.019 0.571 0.649 0.961 0.549 CA 1.150 55 residues pruned to eliminate duplicates Z: 18 26.396 2.171 0.752 0.895 1.000 0.765 CA 1.207 18 residues pruned to eliminate duplicates Z: 18 15.713 2.062 0.609 0.730 1.000 0.765 CA 0.934 18 residues pruned to eliminate duplicates Z: 16 16.750 2.139 0.575 0.809 1.000 0.800 CA 0.980 16 residues pruned to eliminate duplicates Z: 30 25.319 2.115 0.660 0.674 0.966 0.655 CA 1.182 41 residues pruned to eliminate duplicates Z: 21 23.353 2.040 0.673 0.900 1.000 0.750 CA 1.093 21 residues pruned to eliminate duplicates Z: 26 21.246 2.030 0.735 0.699 0.960 0.640 CA 1.048 26 residues pruned to eliminate duplicates Z: 40 28.919 2.093 0.628 0.690 0.897 0.513 CA 1.273 37 residues pruned to eliminate duplicates Z: 20 17.460 2.011 0.625 0.752 0.947 0.579 CA 1.033 20 residues pruned to eliminate duplicates Z: 30 23.005 2.102 0.614 0.695 0.966 0.621 CA 1.092 30 residues pruned to eliminate duplicates Z: 31 24.345 2.128 0.507 0.676 0.900 0.533 CA 1.310 31 residues pruned to eliminate duplicates Z: 52 26.548 1.982 0.470 0.580 0.882 0.412 CA 1.339 49 residues pruned to eliminate duplicates Z: 50 29.375 2.016 0.681 0.566 0.898 0.551 CA 1.293 50 residues pruned to eliminate duplicates Z: 34 28.059 2.086 0.786 0.672 0.939 0.455 CA 1.190 34 residues pruned to eliminate duplicates Z: 46 27.813 2.048 0.683 0.619 0.822 0.422 CA 1.307 46 residues pruned to eliminate duplicates Z: 15 19.953 2.152 0.671 0.623 1.000 0.429 CA 1.320 15 residues pruned to eliminate duplicates Z: 33 28.176 2.073 0.910 0.677 0.906 0.438 CA 1.180 33 residues pruned to eliminate duplicates Z: 34 29.488 2.071 0.809 0.665 0.939 0.576 CA 1.252 34 residues pruned to eliminate duplicates Z: 38 30.813 2.095 0.745 0.708 0.919 0.595 CA 1.248 38 residues pruned to eliminate duplicates Z: 48 28.912 2.062 0.553 0.641 0.915 0.489 CA 1.261 48 residues pruned to eliminate duplicates Z: 17 15.844 2.059 0.479 0.635 0.875 0.312 CB 1.310 17 residues pruned to eliminate duplicates Z: 19 15.751 2.022 0.607 0.582 0.833 0.556 CB 1.266 19 residues pruned to eliminate duplicates Z: 31 23.490 2.129 0.606 0.722 0.933 0.600 CA 1.100 31 residues pruned to eliminate duplicates Z: 52 26.782 2.018 0.601 0.613 0.882 0.510 CA 1.182 52 residues pruned to eliminate duplicates Z: 52 30.675 2.045 0.643 0.596 0.902 0.431 CA 1.292 52 residues pruned to eliminate duplicates Z: 36 23.509 2.076 0.554 0.620 0.886 0.600 CA 1.242 36 residues pruned to eliminate duplicates Z: 35 16.317 1.994 0.658 0.559 0.706 0.206 CA 1.132 35 residues pruned to eliminate duplicates Z: 11 4.263 1.750 0.782 0.181 0.600 0.100 CB 1.058 11 residues pruned to eliminate duplicates Z: 43 28.995 2.098 0.670 0.642 0.905 0.452 CA 1.236 43 residues pruned to eliminate duplicates Z: 55 34.984 2.035 0.711 0.579 0.944 0.630 CB 1.341 55 residues pruned to eliminate duplicates Z: 54 35.989 2.031 0.735 0.560 0.906 0.604 CB 1.461 54 residues pruned to eliminate duplicates Z: 13 8.939 1.891 0.613 0.388 0.917 0.417 CB 1.039 13 residues pruned to eliminate duplicates Z: 8 5.345 1.872 0.500 0.465 0.714 0.714 CB 1.044 8 residues pruned to eliminate duplicates Z: 20 8.290 1.731 0.222 0.320 0.895 0.368 CB 1.225 18 residues pruned to eliminate duplicates Z: 6 5.986 1.717 0.957 0.275 0.800 0.400 CA 1.285 6 residues pruned to eliminate duplicates Z: 47 40.439 2.042 0.691 0.642 0.978 0.630 CB 1.545 47 residues pruned to eliminate duplicates Z: 32 36.042 2.084 0.691 0.724 0.968 0.710 CB 1.550 32 residues pruned to eliminate duplicates Z: 40 32.562 2.039 0.748 0.600 0.897 0.692 CB 1.481 40 residues pruned to eliminate duplicates Z: 35 27.791 2.040 0.607 0.704 0.824 0.588 CB 1.466 35 residues pruned to eliminate duplicates Z: 55 32.318 1.959 0.605 0.588 0.889 0.685 CB 1.447 55 residues pruned to eliminate duplicates Z: 47 34.837 2.068 0.751 0.525 0.935 0.696 CB 1.481 47 residues pruned to eliminate duplicates Z: 39 42.544 2.098 0.840 0.689 0.974 0.579 CB 1.544 39 residues pruned to eliminate duplicates Z: 29 37.618 2.086 0.683 0.751 0.964 0.643 CB 1.679 29 residues pruned to eliminate duplicates Z: 24 40.089 2.160 0.844 0.815 1.000 0.826 CB 1.596 24 residues pruned to eliminate duplicates Z: 53 33.102 1.972 0.669 0.605 0.904 0.635 CB 1.397 53 residues pruned to eliminate duplicates Z: 26 31.803 2.039 0.785 0.698 0.960 0.520 CB 1.520 26 residues pruned to eliminate duplicates Z: 25 38.798 2.128 0.790 0.813 1.000 0.708 CB 1.582 25 residues pruned to eliminate duplicates Z: 27 31.797 2.039 0.830 0.704 0.923 0.538 CB 1.504 27 residues pruned to eliminate duplicates Z: 23 28.700 2.098 0.875 0.659 0.909 0.727 CB 1.475 23 residues pruned to eliminate duplicates Z: 27 30.140 2.014 0.789 0.665 0.923 0.731 CB 1.526 27 residues pruned to eliminate duplicates Z: 29 28.130 2.025 0.724 0.668 0.929 0.643 CB 1.404 29 residues pruned to eliminate duplicates Z: 54 36.638 1.996 0.795 0.551 0.925 0.472 CB 1.445 54 residues pruned to eliminate duplicates Z: 26 28.623 2.069 0.604 0.745 0.880 0.480 CB 1.574 26 residues pruned to eliminate duplicates Z: 31 38.729 2.115 0.808 0.745 0.933 0.600 CB 1.591 31 residues pruned to eliminate duplicates Z: 27 35.280 2.103 0.856 0.728 0.962 0.538 CB 1.501 27 residues pruned to eliminate duplicates Z: 27 33.233 2.037 0.893 0.741 0.923 0.423 CB 1.476 27 residues pruned to eliminate duplicates Z: 26 24.251 2.079 0.745 0.730 0.800 0.280 CB 1.359 26 residues pruned to eliminate duplicates Z: 26 31.397 2.075 0.778 0.737 0.960 0.400 CB 1.433 26 residues pruned to eliminate duplicates Z: 28 35.479 2.051 0.940 0.706 0.926 0.556 CB 1.537 26 residues pruned to eliminate duplicates Z: 54 35.928 1.995 0.769 0.569 0.925 0.509 CB 1.414 54 residues pruned to eliminate duplicates Z: 40 25.604 2.004 0.679 0.598 0.846 0.436 CB 1.312 40 residues pruned to eliminate duplicates Z: 9 17.534 2.020 0.810 0.796 1.000 0.500 CA 1.309 11 residues pruned to eliminate duplicates Z: 9 10.042 1.798 0.586 0.848 1.000 0.625 CA 0.924 9 residues pruned to eliminate duplicates Z: 11 12.784 1.925 0.655 0.625 0.900 0.600 CB 1.253 11 residues pruned to eliminate duplicates Z: 9 18.236 2.021 1.002 0.787 0.875 0.500 CA 1.416 9 residues pruned to eliminate duplicates Z: 9 13.657 1.939 0.519 0.820 1.000 0.625 CA 1.242 9 residues pruned to eliminate duplicates Z: 11 14.653 1.903 0.765 0.607 0.900 0.700 CA 1.385 11 residues pruned to eliminate duplicates Z: 16 10.873 1.600 0.629 0.531 0.867 0.467 CA 1.205 16 residues pruned to eliminate duplicates Z: 28 26.789 2.158 0.465 0.616 0.963 0.667 CB 1.517 28 residues pruned to eliminate duplicates Z: 13 6.448 1.753 0.341 0.339 0.750 0.500 CB 1.259 10 residues pruned to eliminate duplicates Z: 20 26.662 2.304 0.285 0.772 1.000 0.684 CB 1.624 20 residues pruned to eliminate duplicates Z: 25 28.548 2.209 0.550 0.718 0.917 0.500 CA 1.525 25 residues pruned to eliminate duplicates Z: 31 32.293 2.196 0.454 0.664 1.000 0.733 CA 1.587 35 residues pruned to eliminate duplicates Z: 22 30.053 2.164 0.446 0.860 0.952 0.810 CA 1.618 22 residues pruned to eliminate duplicates Z: 31 29.399 2.194 0.453 0.663 0.967 0.633 CA 1.499 31 residues pruned to eliminate duplicates Z: 36 34.825 2.152 0.474 0.668 0.971 0.657 CA 1.635 42 residues pruned to eliminate duplicates Z: 21 32.353 2.233 0.600 0.906 0.950 0.800 CB 1.516 21 residues pruned to eliminate duplicates Z: 26 22.570 2.194 0.351 0.694 0.840 0.400 CB 1.519 26 residues pruned to eliminate duplicates Z: 30 32.750 2.226 0.456 0.676 0.966 0.483 CA 1.653 30 residues pruned to eliminate duplicates Z: 30 27.460 2.226 0.450 0.610 0.897 0.552 CA 1.587 30 residues pruned to eliminate duplicates Z: 35 36.370 2.149 0.584 0.663 0.941 0.706 CB 1.673 35 residues pruned to eliminate duplicates Z: 31 35.127 2.205 0.620 0.661 0.967 0.667 CA 1.599 31 residues pruned to eliminate duplicates Z: 26 29.850 2.232 0.612 0.670 0.920 0.520 CB 1.542 26 residues pruned to eliminate duplicates Z: 31 35.110 2.206 0.645 0.645 0.967 0.433 CA 1.596 31 residues pruned to eliminate duplicates Z: 30 38.796 2.222 0.790 0.674 0.931 0.552 CA 1.657 30 residues pruned to eliminate duplicates Z: 22 37.458 2.203 0.855 0.879 1.000 0.333 CB 1.450 23 residues pruned to eliminate duplicates Z: 20 37.955 2.272 0.776 0.910 1.000 0.474 CB 1.531 20 residues pruned to eliminate duplicates Z: 31 37.761 2.137 0.713 0.716 0.933 0.633 CB 1.659 31 residues pruned to eliminate duplicates Z: 26 36.342 2.234 0.744 0.739 0.960 0.440 CB 1.568 25 residues pruned to eliminate duplicates Z: 19 28.943 2.070 0.758 0.859 0.944 0.611 CB 1.460 19 residues pruned to eliminate duplicates Z: 26 35.043 2.186 0.800 0.747 0.920 0.560 CB 1.553 26 residues pruned to eliminate duplicates Z: 32 28.831 2.118 0.450 0.680 0.903 0.452 CA 1.581 32 residues pruned to eliminate duplicates Z: 13 10.056 1.982 0.377 0.452 0.750 0.583 CB 1.490 13 residues pruned to eliminate duplicates Z: 24 14.222 1.944 0.418 0.338 0.870 0.565 CB 1.476 25 residues pruned to eliminate duplicates Z: 7 8.635 1.870 0.540 0.509 1.000 0.833 CA 1.213 6 residues pruned to eliminate duplicates Z: 6 6.424 1.738 0.310 0.444 1.000 0.800 CA 1.337 6 residues pruned to eliminate duplicates Z: 23 13.523 1.995 0.347 0.308 0.864 0.364 CB 1.538 23 residues pruned to eliminate duplicates Z: 21 13.784 1.940 0.431 0.320 0.850 0.400 N 1.594 21 residues pruned to eliminate duplicates Z: 29 12.601 1.921 0.393 0.272 0.821 0.429 CB 1.404 29 residues pruned to eliminate duplicates Z: 7 4.303 1.864 -0.016 0.361 0.833 0.333 CB 1.335 7 residues pruned to eliminate duplicates Z: 15 5.184 1.763 0.432 0.170 0.643 0.429 CB 1.274 15 residues pruned to eliminate duplicates Z: 13 6.611 1.948 0.458 0.165 0.750 0.333 CB 1.347 13 residues pruned to eliminate duplicates Z: 25 12.204 1.934 0.412 0.333 0.792 0.375 CB 1.383 25 residues pruned to eliminate duplicates Z: 14 6.218 1.941 0.334 0.158 0.769 0.385 CB 1.316 14 residues pruned to eliminate duplicates Z: 25 13.179 1.872 0.462 0.349 0.833 0.500 CB 1.389 25 residues pruned to eliminate duplicates Z: 30 12.924 1.932 0.392 0.253 0.828 0.448 CB 1.431 28 residues pruned to eliminate duplicates Z: 6 2.685 1.394 0.322 0.380 1.000 0.600 CA 0.741 6 residues pruned to eliminate duplicates Z: 27 9.578 1.870 0.392 0.281 0.731 0.423 CB 1.265 27 residues pruned to eliminate duplicates Z: 31 12.171 1.759 0.433 0.271 0.867 0.333 CB 1.320 31 residues pruned to eliminate duplicates Z: 14 6.255 1.676 0.512 0.146 0.846 0.462 CB 1.252 13 residues pruned to eliminate duplicates Z: 9 9.365 1.925 0.316 0.469 0.875 0.375 N 1.542 10 residues pruned to eliminate duplicates Z: 6 2.265 1.436 0.313 0.102 1.000 0.600 N 0.892 6 residues pruned to eliminate duplicates Z: 9 7.950 1.929 0.376 0.418 0.750 0.250 N 1.538 9 residues pruned to eliminate duplicates Z: 15 8.902 1.884 0.418 0.381 0.786 0.357 CB 1.287 15 residues pruned to eliminate duplicates Z: 17 10.644 1.912 0.496 0.514 0.688 0.438 CB 1.335 17 residues pruned to eliminate duplicates Z: 19 11.568 1.860 0.563 0.462 0.667 0.444 CB 1.462 19 residues pruned to eliminate duplicates Z: 19 12.817 1.839 0.538 0.482 0.778 0.556 CB 1.399 19 residues pruned to eliminate duplicates Z: 19 8.650 1.828 0.495 0.482 0.667 0.444 CB 1.139 19 residues pruned to eliminate duplicates Z: 18 13.490 1.911 0.596 0.461 0.765 0.412 CB 1.460 18 residues pruned to eliminate duplicates Z: 11 9.165 1.959 0.610 0.536 0.800 0.500 CB 1.108 11 residues pruned to eliminate duplicates Z: 18 8.585 1.825 0.452 0.517 0.706 0.529 CB 1.095 18 residues pruned to eliminate duplicates Z: 20 10.805 1.793 0.446 0.487 0.789 0.421 CB 1.227 20 residues pruned to eliminate duplicates Z: 19 15.228 1.944 0.536 0.504 0.833 0.444 CB 1.438 19 residues pruned to eliminate duplicates Z: 6 7.936 1.823 0.141 0.821 1.000 0.600 CA 1.291 6 residues pruned to eliminate duplicates Z: 9 10.479 1.968 0.571 0.644 0.875 0.625 CB 1.197 9 residues pruned to eliminate duplicates Z: 12 7.426 1.793 0.578 0.371 0.909 0.455 CB 0.999 12 residues pruned to eliminate duplicates Z: 16 9.911 1.819 0.446 0.570 0.800 0.533 CB 1.136 16 residues pruned to eliminate duplicates Z: 22 11.497 2.051 0.242 0.354 0.762 0.524 CB 1.514 22 residues pruned to eliminate duplicates Z: 16 12.260 2.157 0.169 0.452 0.867 0.600 CB 1.521 12 residues pruned to eliminate duplicates Z: 6 5.115 1.849 0.069 0.411 1.000 0.600 CA 1.270 6 residues pruned to eliminate duplicates Z: 17 13.568 2.169 0.294 0.418 0.812 0.688 CB 1.620 17 residues pruned to eliminate duplicates Z: 22 13.923 2.139 0.355 0.433 0.762 0.524 CB 1.474 22 residues pruned to eliminate duplicates Z: 22 16.063 2.175 0.531 0.403 0.762 0.571 CB 1.529 22 residues pruned to eliminate duplicates Z: 31 17.827 2.134 0.429 0.372 0.767 0.500 CB 1.597 31 residues pruned to eliminate duplicates Z: 25 17.207 1.963 0.495 0.423 0.792 0.625 CB 1.638 25 residues pruned to eliminate duplicates Z: 13 15.232 2.227 0.385 0.546 0.917 0.500 CA 1.486 13 residues pruned to eliminate duplicates Z: 21 11.020 2.099 0.285 0.338 0.750 0.450 CB 1.453 21 residues pruned to eliminate duplicates Z: 13 15.336 2.280 0.337 0.485 0.917 0.750 CA 1.608 13 residues pruned to eliminate duplicates Z: 37 19.348 2.031 0.476 0.386 0.806 0.639 CB 1.508 37 residues pruned to eliminate duplicates Z: 8 6.998 1.541 0.509 0.547 0.857 0.714 C 1.267 Z: 6 4.429 1.680 0.420 0.410 0.800 0.600 CB 1.141 Z: 6 4.054 1.569 0.373 0.307 1.000 0.800 C 1.043 Z: 24 10.184 1.822 0.424 0.371 0.696 0.522 CB 1.350 14 residues pruned to eliminate duplicates Z: 6 8.215 1.708 0.527 0.497 1.000 0.400 CA 1.413 6 residues pruned to eliminate duplicates Z: 26 13.892 1.978 0.387 0.301 0.840 0.560 CA 1.505 66 residues pruned to eliminate duplicates Z: 8 3.876 1.542 0.338 0.267 0.714 0.286 C 1.296 8 residues pruned to eliminate duplicates Z: 15 7.258 1.917 0.348 0.221 0.786 0.500 CA 1.326 14 residues pruned to eliminate duplicates Z: 7 4.741 1.630 0.723 0.264 0.667 0.167 CA 1.353 7 residues pruned to eliminate duplicates Z: 26 12.729 1.922 0.372 0.274 0.760 0.440 CB 1.641 26 residues pruned to eliminate duplicates Z: 12 9.097 1.878 0.494 0.369 0.818 0.545 CA 1.375 12 residues pruned to eliminate duplicates Z: 13 13.483 1.927 0.650 0.453 0.917 0.583 CB 1.401 12 residues pruned to eliminate duplicates Z: 8 8.068 1.638 0.917 0.400 1.000 0.429 CA 1.079 8 residues pruned to eliminate duplicates Z: 13 9.745 1.988 0.698 0.392 0.667 0.417 CB 1.401 13 residues pruned to eliminate duplicates Z: 23 10.466 1.846 0.451 0.291 0.773 0.591 CB 1.363 23 residues pruned to eliminate duplicates Z: 17 7.826 1.724 0.298 0.310 0.812 0.375 CA 1.328 17 residues pruned to eliminate duplicates Z: 12 9.344 1.783 0.661 0.379 0.818 0.455 CA 1.322 12 residues pruned to eliminate duplicates Z: 12 8.178 1.894 0.555 0.414 0.727 0.455 CA 1.260 12 residues pruned to eliminate duplicates Z: 12 7.225 1.828 0.479 0.385 0.818 0.545 CA 1.113 12 residues pruned to eliminate duplicates Z: 13 10.717 1.794 0.551 0.371 0.917 0.333 CA 1.392 13 residues pruned to eliminate duplicates Z: 10 7.349 1.748 0.472 0.293 0.778 0.222 N 1.545 10 residues pruned to eliminate duplicates Z: 13 5.936 1.817 0.570 0.342 0.750 0.333 CB 0.951 13 residues pruned to eliminate duplicates Z: 10 4.611 1.964 0.240 0.261 0.778 0.333 CB 1.066 10 residues pruned to eliminate duplicates Z: 11 7.575 1.870 0.409 0.367 0.800 0.400 CB 1.311 11 residues pruned to eliminate duplicates Z: 16 8.060 1.800 0.535 0.251 0.867 0.133 CB 1.158 16 residues pruned to eliminate duplicates Z: 11 7.872 1.887 0.546 0.351 0.900 0.400 CB 1.114 11 residues pruned to eliminate duplicates Z: 13 8.092 1.793 0.582 0.287 0.750 0.417 CB 1.395 13 residues pruned to eliminate duplicates Z: 11 10.319 1.855 0.586 0.446 0.900 0.200 CB 1.302 13 residues pruned to eliminate duplicates Z: 16 7.504 1.803 0.429 0.350 0.800 0.267 CB 1.107 16 residues pruned to eliminate duplicates 527 residues left after pruning, divided into chains as follows: A: 18 B: 8 C: 8 D: 7 E: 9 F: 7 G: 16 H: 21 I: 11 J: 133 K: 12 L: 10 M: 48 N: 59 O: 8 P: 30 Q: 31 R: 19 S: 50 T: 11 U: 11 CC for partial structure against native data = 18.70 % ------------------------------------------------------------------------------ Global autotracing cycle 12 = 0.300, Contrast = 0.416, Connect. = 0.679 for dens.mod. cycle 1 = 0.300, Contrast = 0.481, Connect. = 0.703 for dens.mod. cycle 2 = 0.300, Contrast = 0.552, Connect. = 0.737 for dens.mod. cycle 3 = 0.300, Contrast = 0.559, Connect. = 0.742 for dens.mod. cycle 4 = 0.300, Contrast = 0.566, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.570, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.574, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.576, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.578, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.578, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6870 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1201 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 41.152 2.325 0.614 0.928 1.000 0.842 CB 1.762 B: 21 33.472 2.120 0.668 0.915 1.000 0.700 CB 1.496 C: 18 23.871 2.216 0.320 0.901 0.941 0.647 CA 1.500 18 residues pruned to eliminate duplicates D: 17 9.913 2.126 0.148 0.427 0.750 0.562 CA 1.461 E: 132 49.187 2.184 0.520 0.456 0.893 0.489 CB 1.517 20 residues pruned to eliminate duplicates F: 18 17.818 2.054 0.315 0.565 1.000 0.765 CB 1.502 G: 11 18.944 2.193 0.444 0.908 1.000 0.800 CB 1.344 10 residues pruned to eliminate duplicates H: 20 33.846 2.344 0.487 0.887 0.895 0.526 CB 1.795 20 residues pruned to eliminate duplicates I: 18 20.908 2.058 0.457 0.574 1.000 0.706 CB 1.574 18 residues pruned to eliminate duplicates J: 22 35.104 2.221 0.430 0.920 1.000 0.952 CB 1.698 22 residues pruned to eliminate duplicates K: 24 36.647 2.003 0.711 0.907 1.000 0.826 CB 1.586 L: 20 31.903 2.280 0.352 0.884 1.000 0.632 CB 1.717 20 residues pruned to eliminate duplicates M: 22 11.196 2.098 0.164 0.398 0.762 0.476 CB 1.462 17 residues pruned to eliminate duplicates N: 17 28.339 2.301 0.554 0.874 0.812 0.562 CB 1.774 17 residues pruned to eliminate duplicates O: 14 26.282 2.287 0.378 0.878 1.000 0.923 CB 1.679 14 residues pruned to eliminate duplicates P: 16 14.336 1.916 0.405 0.544 0.867 0.667 CA 1.520 Q: 30 23.487 2.060 0.475 0.584 0.966 0.586 CA 1.370 30 residues pruned to eliminate duplicates R: 18 26.013 2.144 0.636 0.857 0.882 0.647 CB 1.502 18 residues pruned to eliminate duplicates S: 18 34.788 2.266 0.757 0.886 0.882 0.706 CB 1.733 18 residues pruned to eliminate duplicates T: 13 21.257 1.974 1.016 0.879 0.917 0.750 CB 1.220 U: 32 23.788 2.191 0.516 0.497 0.935 0.548 CB 1.380 32 residues pruned to eliminate duplicates V: 22 41.838 2.212 0.790 0.894 1.000 0.810 CA 1.654 22 residues pruned to eliminate duplicates W: 19 11.908 1.824 0.433 0.425 0.833 0.389 CB 1.393 X: 16 33.352 2.296 0.571 0.841 0.933 0.667 CB 1.907 16 residues pruned to eliminate duplicates Y: 19 15.695 2.153 0.515 0.534 0.778 0.500 CB 1.411 19 residues pruned to eliminate duplicates Z: 13 16.646 2.035 0.475 0.739 0.917 0.500 CB 1.409 13 residues pruned to eliminate duplicates Z: 10 12.857 2.113 0.587 0.469 0.889 0.444 CB 1.484 10 residues pruned to eliminate duplicates Z: 10 13.779 1.986 0.289 0.827 0.889 0.778 CA 1.521 10 residues pruned to eliminate duplicates Z: 20 32.662 2.342 0.270 0.905 1.000 0.526 CB 1.793 20 residues pruned to eliminate duplicates Z: 8 4.920 1.551 0.018 0.627 1.000 0.857 O 1.046 9 residues pruned to eliminate duplicates Z: 18 5.854 1.705 0.190 0.296 0.706 0.471 CA 1.245 Z: 21 35.247 2.283 0.591 0.895 0.950 0.450 CB 1.637 21 residues pruned to eliminate duplicates Z: 20 20.471 2.219 0.255 0.818 0.789 0.421 CB 1.620 20 residues pruned to eliminate duplicates Z: 13 10.557 1.815 0.604 0.325 0.917 0.333 CB 1.385 11 residues pruned to eliminate duplicates Z: 22 31.649 2.052 0.672 0.876 1.000 0.762 CB 1.463 22 residues pruned to eliminate duplicates Z: 22 44.805 2.244 0.828 0.923 1.000 0.524 CB 1.675 22 residues pruned to eliminate duplicates Z: 23 31.080 2.038 0.529 0.887 1.000 0.818 CB 1.533 23 residues pruned to eliminate duplicates Z: 21 18.503 1.974 0.660 0.834 0.800 0.500 CA 1.183 Z: 10 15.929 2.004 0.298 0.835 1.000 0.778 CA 1.530 10 residues pruned to eliminate duplicates Z: 12 14.136 2.204 0.124 0.836 0.909 0.727 CB 1.417 12 residues pruned to eliminate duplicates Z: 7 7.511 1.690 0.160 0.848 1.000 0.833 CB 1.160 7 residues pruned to eliminate duplicates Z: 11 11.382 1.791 0.643 0.595 1.000 0.500 CB 1.117 Z: 16 8.393 2.019 0.228 0.399 0.733 0.400 CB 1.325 18 residues pruned to eliminate duplicates Z: 13 25.489 2.279 0.411 0.852 1.000 0.750 CB 1.692 13 residues pruned to eliminate duplicates Z: 23 28.487 2.154 0.396 0.890 1.000 0.727 CA 1.452 23 residues pruned to eliminate duplicates Z: 16 25.955 2.254 0.691 0.884 0.733 0.267 CB 1.732 16 residues pruned to eliminate duplicates Z: 12 11.316 1.941 0.437 0.428 0.909 0.545 CB 1.450 Z: 21 39.213 2.195 0.768 0.910 0.950 0.750 CA 1.686 21 residues pruned to eliminate duplicates Z: 11 11.561 2.120 0.332 0.426 0.800 0.500 CA 1.748 11 residues pruned to eliminate duplicates Z: 21 24.414 2.167 0.386 0.837 0.950 0.650 CB 1.431 21 residues pruned to eliminate duplicates Z: 73 50.464 2.234 0.628 0.604 0.931 0.542 CB 1.592 73 residues pruned to eliminate duplicates Z: 17 41.215 2.424 0.760 0.908 0.938 0.562 CB 1.830 17 residues pruned to eliminate duplicates Z: 20 37.500 2.183 0.908 0.923 0.947 0.684 CB 1.531 20 residues pruned to eliminate duplicates Z: 6 7.976 1.496 0.938 0.812 1.000 0.800 CA 0.938 6 residues pruned to eliminate duplicates Z: 25 17.363 2.198 0.701 0.314 0.750 0.417 CB 1.553 25 residues pruned to eliminate duplicates Z: 14 13.832 2.076 0.781 0.856 0.692 0.462 CA 1.105 14 residues pruned to eliminate duplicates Z: 22 42.839 2.115 0.976 0.911 1.000 0.762 CB 1.585 24 residues pruned to eliminate duplicates Z: 15 22.412 2.308 0.369 0.869 0.786 0.500 CB 1.762 15 residues pruned to eliminate duplicates Z: 20 35.818 2.342 0.408 0.908 1.000 0.526 CB 1.770 20 residues pruned to eliminate duplicates Z: 32 16.602 1.967 0.448 0.577 0.871 0.677 CA 1.116 24 residues pruned to eliminate duplicates Z: 8 3.384 1.731 0.044 0.222 0.714 0.429 CA 1.373 Z: 18 37.818 2.157 0.856 0.914 1.000 0.882 CB 1.620 18 residues pruned to eliminate duplicates Z: 13 9.706 2.045 0.263 0.463 0.750 0.583 CA 1.502 13 residues pruned to eliminate duplicates Z: 9 15.863 2.154 0.565 0.691 1.000 0.750 CB 1.397 Z: 24 12.529 1.903 0.507 0.313 0.870 0.391 CB 1.289 Z: 28 19.661 2.151 0.446 0.431 0.926 0.630 CB 1.412 28 residues pruned to eliminate duplicates Z: 52 41.957 2.216 0.665 0.629 0.882 0.490 CB 1.599 52 residues pruned to eliminate duplicates Z: 12 13.945 2.221 0.061 0.837 1.000 0.818 CB 1.335 12 residues pruned to eliminate duplicates Z: 27 15.290 1.932 0.480 0.371 0.885 0.500 CB 1.362 12 residues pruned to eliminate duplicates Z: 10 15.402 2.086 0.482 0.520 1.000 0.556 CB 1.629 10 residues pruned to eliminate duplicates Z: 22 39.329 2.248 0.655 0.909 1.000 0.714 CB 1.637 22 residues pruned to eliminate duplicates Z: 23 29.359 2.106 0.731 0.879 0.909 0.545 CA 1.370 21 residues pruned to eliminate duplicates Z: 18 12.558 2.019 0.215 0.376 0.882 0.529 CB 1.605 18 residues pruned to eliminate duplicates Z: 11 7.329 1.731 0.726 0.415 0.700 0.400 CB 1.212 11 residues pruned to eliminate duplicates Z: 12 16.236 2.066 0.379 0.847 0.909 0.545 CB 1.404 12 residues pruned to eliminate duplicates Z: 10 11.559 1.915 0.192 0.848 0.889 0.889 CA 1.409 10 residues pruned to eliminate duplicates Z: 18 24.459 2.193 0.522 0.855 0.882 0.412 CB 1.487 18 residues pruned to eliminate duplicates Z: 27 18.941 2.170 0.466 0.395 0.885 0.538 CB 1.475 27 residues pruned to eliminate duplicates Z: 7 5.586 1.791 0.959 0.357 0.833 0.333 CB 0.910 Z: 23 38.642 2.085 0.851 0.917 0.955 0.727 CB 1.579 23 residues pruned to eliminate duplicates Z: 11 18.589 1.929 0.561 0.867 1.000 0.800 CA 1.428 11 residues pruned to eliminate duplicates Z: 21 36.285 2.294 0.545 0.918 0.950 0.700 CB 1.700 21 residues pruned to eliminate duplicates Z: 12 8.024 1.770 0.156 0.452 0.909 0.455 CB 1.366 Z: 30 19.757 1.948 0.335 0.570 0.966 0.724 CB 1.367 16 residues pruned to eliminate duplicates Z: 13 14.915 2.058 0.340 0.737 0.917 0.583 CA 1.377 13 residues pruned to eliminate duplicates Z: 8 6.175 1.788 -0.019 0.414 1.000 0.714 CA 1.455 8 residues pruned to eliminate duplicates Z: 8 6.623 1.860 0.454 0.412 0.714 0.429 CB 1.421 Z: 46 35.527 2.079 0.601 0.621 0.911 0.644 CB 1.558 37 residues pruned to eliminate duplicates Z: 25 22.441 2.249 0.652 0.373 0.917 0.542 CA 1.540 25 residues pruned to eliminate duplicates Z: 15 9.351 1.904 0.418 0.392 0.786 0.500 CB 1.321 15 residues pruned to eliminate duplicates Z: 24 26.384 2.091 0.614 0.631 0.913 0.739 CB 1.578 16 residues pruned to eliminate duplicates Z: 10 10.759 1.740 0.691 0.386 1.000 0.444 CB 1.376 Z: 12 10.215 2.128 0.247 0.492 0.818 0.545 CA 1.430 12 residues pruned to eliminate duplicates Z: 17 8.091 1.940 0.510 0.297 0.750 0.375 CB 1.156 17 residues pruned to eliminate duplicates Z: 17 10.936 2.129 0.257 0.419 0.750 0.500 CB 1.483 17 residues pruned to eliminate duplicates Z: 18 27.415 2.107 0.761 0.720 0.941 0.765 CB 1.561 18 residues pruned to eliminate duplicates Z: 19 14.715 1.771 0.458 0.544 0.833 0.278 CA 1.544 19 residues pruned to eliminate duplicates Z: 11 9.160 1.805 0.451 0.613 1.000 0.800 CA 0.993 Z: 17 9.755 1.903 0.189 0.502 0.938 0.688 CB 1.147 17 residues pruned to eliminate duplicates Z: 18 19.445 2.045 0.410 0.592 1.000 0.647 CB 1.499 18 residues pruned to eliminate duplicates Z: 20 13.927 2.021 0.311 0.847 0.895 0.684 CA 1.001 20 residues pruned to eliminate duplicates Z: 21 42.642 2.323 0.669 0.905 1.000 0.650 CA 1.749 21 residues pruned to eliminate duplicates Z: 12 6.826 1.779 0.322 0.388 0.727 0.545 N 1.356 Z: 9 10.808 1.978 0.815 0.392 0.875 0.375 CB 1.364 9 residues pruned to eliminate duplicates Z: 22 16.542 2.092 0.469 0.379 0.905 0.571 CB 1.477 22 residues pruned to eliminate duplicates Z: 9 5.601 1.953 -0.164 0.508 0.750 0.625 CB 1.604 9 residues pruned to eliminate duplicates Z: 6 8.434 2.072 0.266 0.468 1.000 0.600 CA 1.485 Z: 6 7.495 2.292 -0.109 0.862 1.000 0.800 CB 1.204 6 residues pruned to eliminate duplicates Z: 7 4.708 1.871 0.131 0.633 0.833 0.500 CB 0.962 5 residues pruned to eliminate duplicates Z: 6 7.560 1.843 0.380 0.790 0.800 0.800 CB 1.288 Z: 14 13.958 2.141 0.248 0.546 0.923 0.538 CB 1.500 14 residues pruned to eliminate duplicates Z: 27 17.715 2.199 0.384 0.359 0.885 0.423 CB 1.503 26 residues pruned to eliminate duplicates Z: 10 6.459 1.985 0.309 0.405 0.667 0.333 CA 1.373 10 residues pruned to eliminate duplicates Z: 19 23.813 2.219 0.394 0.877 0.833 0.667 CB 1.581 19 residues pruned to eliminate duplicates Z: 16 12.370 2.167 0.157 0.460 0.800 0.600 CB 1.659 21 residues pruned to eliminate duplicates Z: 24 36.196 2.011 0.804 0.930 0.957 0.522 CB 1.521 24 residues pruned to eliminate duplicates Z: 24 11.026 1.914 0.429 0.335 0.826 0.391 CB 1.219 24 residues pruned to eliminate duplicates Z: 25 14.690 2.101 0.347 0.405 0.833 0.500 CB 1.405 25 residues pruned to eliminate duplicates Z: 9 12.720 1.755 0.982 0.751 0.875 0.500 CA 1.181 6 residues pruned to eliminate duplicates Z: 21 17.557 2.111 0.317 0.610 0.900 0.600 CB 1.414 21 residues pruned to eliminate duplicates Z: 20 33.951 2.289 0.759 0.812 0.947 0.579 CB 1.556 20 residues pruned to eliminate duplicates Z: 12 23.998 2.123 0.780 0.880 1.000 0.909 CA 1.387 15 residues pruned to eliminate duplicates Z: 6 6.552 2.239 0.026 0.365 1.000 0.600 CB 1.474 6 residues pruned to eliminate duplicates Z: 7 7.064 1.834 0.266 0.539 0.833 0.333 N 1.434 Z: 15 12.320 1.892 0.601 0.386 0.786 0.571 N 1.561 13 residues pruned to eliminate duplicates Z: 72 40.202 2.215 0.560 0.544 0.887 0.451 CB 1.490 72 residues pruned to eliminate duplicates Z: 15 13.241 1.875 0.417 0.503 0.929 0.500 CA 1.430 15 residues pruned to eliminate duplicates Z: 13 14.799 2.101 0.451 0.811 0.917 0.667 CB 1.166 13 residues pruned to eliminate duplicates Z: 9 14.427 2.086 0.530 0.692 0.875 0.750 CB 1.532 10 residues pruned to eliminate duplicates Z: 18 17.685 2.055 0.253 0.554 1.000 0.765 CA 1.580 18 residues pruned to eliminate duplicates Z: 10 5.818 1.528 0.264 0.651 0.778 0.667 CA 1.122 Z: 17 14.340 2.016 0.288 0.881 1.000 0.875 CA 1.000 17 residues pruned to eliminate duplicates Z: 7 5.653 1.890 -0.100 0.837 1.000 0.833 CB 1.015 Z: 10 6.007 1.659 0.391 0.472 0.889 0.667 CB 1.004 10 residues pruned to eliminate duplicates Z: 10 17.657 2.163 0.466 0.901 0.778 0.556 CB 1.704 10 residues pruned to eliminate duplicates Z: 10 6.447 1.865 0.674 0.253 0.667 0.444 N 1.371 Z: 22 33.712 2.091 0.545 0.922 1.000 0.857 CA 1.602 22 residues pruned to eliminate duplicates Z: 14 13.564 2.106 0.494 0.423 0.846 0.308 CB 1.532 14 residues pruned to eliminate duplicates Z: 22 28.581 2.143 0.455 0.853 0.952 0.667 CB 1.552 22 residues pruned to eliminate duplicates Z: 11 11.063 1.750 0.534 0.599 0.900 0.600 CB 1.318 14 residues pruned to eliminate duplicates Z: 7 9.406 2.020 0.697 0.612 0.833 0.500 CA 1.209 7 residues pruned to eliminate duplicates Z: 27 18.871 2.185 0.368 0.370 0.923 0.615 CB 1.541 27 residues pruned to eliminate duplicates Z: 8 7.932 1.943 0.141 0.505 0.857 0.429 CA 1.569 Z: 10 10.062 1.903 0.578 0.498 0.889 0.444 CA 1.259 10 residues pruned to eliminate duplicates Z: 10 7.897 1.724 0.640 0.589 0.889 0.667 CB 0.961 10 residues pruned to eliminate duplicates Z: 24 31.863 1.980 0.633 0.912 0.957 0.783 CB 1.522 24 residues pruned to eliminate duplicates Z: 11 17.062 2.191 0.124 0.871 1.000 0.900 CB 1.598 11 residues pruned to eliminate duplicates Z: 16 16.054 2.026 0.606 0.857 0.933 0.467 CA 1.006 16 residues pruned to eliminate duplicates Z: 6 15.876 2.164 0.774 0.859 1.000 0.800 CA 1.361 6 residues pruned to eliminate duplicates Z: 16 26.430 2.312 0.468 0.885 1.000 0.533 CB 1.451 16 residues pruned to eliminate duplicates Z: 9 20.294 2.205 0.629 0.743 1.000 0.875 CA 1.608 8 residues pruned to eliminate duplicates Z: 11 13.128 1.716 0.924 0.800 1.000 0.700 CA 0.967 9 residues pruned to eliminate duplicates Z: 9 6.025 1.617 0.380 0.379 0.875 0.375 CA 1.242 9 residues pruned to eliminate duplicates Z: 10 4.266 1.791 0.221 0.401 0.556 0.444 CB 1.298 10 residues pruned to eliminate duplicates Z: 11 7.592 2.034 -0.083 0.580 0.900 0.600 CA 1.325 11 residues pruned to eliminate duplicates Z: 22 14.108 1.997 0.337 0.350 0.857 0.429 CB 1.584 24 residues pruned to eliminate duplicates Z: 21 27.585 1.977 0.648 0.866 0.950 0.700 CB 1.458 21 residues pruned to eliminate duplicates Z: 44 30.075 2.182 0.564 0.525 0.907 0.488 CB 1.447 44 residues pruned to eliminate duplicates Z: 13 14.070 2.040 0.276 0.661 1.000 0.833 CB 1.344 13 residues pruned to eliminate duplicates Z: 16 21.495 2.145 0.149 0.914 1.000 0.867 CB 1.592 16 residues pruned to eliminate duplicates Z: 37 21.860 2.075 0.632 0.416 0.861 0.444 CB 1.364 37 residues pruned to eliminate duplicates Z: 16 13.996 2.051 0.461 0.514 0.800 0.600 CA 1.487 20 residues pruned to eliminate duplicates Z: 12 8.389 2.010 0.231 0.380 0.727 0.455 CA 1.597 12 residues pruned to eliminate duplicates Z: 22 44.325 2.259 0.808 0.931 1.000 0.619 CB 1.655 22 residues pruned to eliminate duplicates Z: 10 18.034 2.010 0.730 0.833 0.889 0.556 CA 1.459 10 residues pruned to eliminate duplicates Z: 20 23.181 2.150 0.304 0.918 0.947 0.789 CB 1.413 20 residues pruned to eliminate duplicates Z: 16 17.360 2.043 0.462 0.593 1.000 0.867 CB 1.373 16 residues pruned to eliminate duplicates Z: 18 12.202 2.112 0.376 0.454 0.765 0.588 CB 1.396 18 residues pruned to eliminate duplicates Z: 8 9.793 2.041 0.192 0.726 0.714 0.286 CA 1.738 8 residues pruned to eliminate duplicates Z: 15 10.352 1.930 0.386 0.340 0.857 0.429 CB 1.436 15 residues pruned to eliminate duplicates Z: 32 9.422 1.872 0.279 0.251 0.742 0.452 CB 1.269 40 residues pruned to eliminate duplicates Z: 8 5.104 1.748 0.113 0.475 1.000 0.714 CB 1.017 8 residues pruned to eliminate duplicates Z: 25 21.250 2.241 0.644 0.358 0.875 0.500 CB 1.567 25 residues pruned to eliminate duplicates Z: 6 3.647 1.931 0.152 0.396 0.800 0.600 CA 1.022 6 residues pruned to eliminate duplicates Z: 12 9.347 1.889 0.241 0.417 0.818 0.364 CA 1.601 12 residues pruned to eliminate duplicates Z: 10 12.624 1.870 0.578 0.719 0.778 0.444 CA 1.504 10 residues pruned to eliminate duplicates Z: 6 2.558 1.718 -0.296 0.490 1.000 0.400 CB 0.955 Z: 12 21.464 2.125 0.742 0.905 1.000 1.000 CA 1.244 12 residues pruned to eliminate duplicates Z: 19 22.296 2.083 0.692 0.928 0.944 0.611 CA 1.106 27 residues pruned to eliminate duplicates Z: 10 16.571 1.946 0.693 0.870 0.889 0.333 CA 1.377 10 residues pruned to eliminate duplicates Z: 17 24.469 1.996 1.033 0.849 0.875 0.625 CB 1.277 17 residues pruned to eliminate duplicates Z: 15 9.145 1.712 0.317 0.405 0.929 0.500 CA 1.290 15 residues pruned to eliminate duplicates Z: 28 21.360 2.159 0.555 0.376 0.926 0.519 CA 1.509 28 residues pruned to eliminate duplicates Z: 6 3.196 1.600 -0.074 0.346 1.000 0.800 CA 1.141 Z: 10 9.455 2.239 0.066 0.827 0.889 0.889 CB 1.120 10 residues pruned to eliminate duplicates Z: 36 34.327 2.081 0.572 0.690 0.971 0.714 CA 1.535 33 residues pruned to eliminate duplicates Z: 7 13.827 1.792 1.093 0.783 1.000 0.667 CB 1.172 7 residues pruned to eliminate duplicates Z: 6 3.673 1.481 0.286 0.673 0.800 0.800 N 0.919 Z: 18 7.273 1.764 0.373 0.344 0.706 0.412 CB 1.222 18 residues pruned to eliminate duplicates Z: 12 3.455 1.597 0.200 0.351 0.818 0.455 CB 0.781 Z: 13 18.896 2.003 0.619 0.740 1.000 0.500 CA 1.357 13 residues pruned to eliminate duplicates Z: 21 11.951 1.931 0.343 0.329 0.800 0.550 CB 1.553 21 residues pruned to eliminate duplicates Z: 16 15.940 1.939 0.955 0.880 0.867 0.533 CA 0.908 17 residues pruned to eliminate duplicates Z: 6 3.611 1.608 0.411 0.298 0.800 0.600 CB 1.115 6 residues pruned to eliminate duplicates Z: 11 9.145 1.970 0.134 0.433 0.900 0.700 CA 1.541 11 residues pruned to eliminate duplicates Z: 9 11.099 1.875 0.673 0.619 0.875 0.625 CB 1.278 9 residues pruned to eliminate duplicates Z: 7 3.676 1.628 0.215 0.503 0.833 0.667 CB 0.907 5 residues pruned to eliminate duplicates Z: 23 24.885 2.011 0.358 0.853 0.909 0.818 CA 1.580 23 residues pruned to eliminate duplicates Z: 16 16.873 2.065 0.540 0.556 0.933 0.667 CB 1.390 16 residues pruned to eliminate duplicates Z: 17 8.602 2.008 0.236 0.381 0.750 0.438 CB 1.312 17 residues pruned to eliminate duplicates Z: 11 6.557 1.709 0.379 0.477 0.800 0.500 CA 1.126 11 residues pruned to eliminate duplicates Z: 11 8.521 1.754 0.431 0.514 0.800 0.700 CA 1.324 11 residues pruned to eliminate duplicates Z: 15 15.207 1.956 0.802 0.516 0.786 0.500 CA 1.445 15 residues pruned to eliminate duplicates Z: 27 11.716 2.061 0.294 0.337 0.692 0.538 CB 1.487 28 residues pruned to eliminate duplicates Z: 19 15.293 2.089 0.496 0.523 0.778 0.611 CB 1.450 19 residues pruned to eliminate duplicates Z: 15 14.100 2.243 0.326 0.465 0.857 0.429 CB 1.532 15 residues pruned to eliminate duplicates Z: 21 39.547 2.091 0.918 0.919 1.000 0.800 CB 1.554 21 residues pruned to eliminate duplicates Z: 55 34.753 2.081 0.502 0.551 0.926 0.704 CA 1.555 55 residues pruned to eliminate duplicates Z: 21 34.051 2.033 0.727 0.916 0.950 0.800 CA 1.612 21 residues pruned to eliminate duplicates Z: 43 42.294 2.244 0.613 0.679 0.976 0.643 CA 1.567 43 residues pruned to eliminate duplicates Z: 7 6.054 1.641 0.600 0.578 0.833 0.833 N 1.048 7 residues pruned to eliminate duplicates Z: 25 28.979 1.950 0.666 0.879 0.958 0.625 CB 1.378 25 residues pruned to eliminate duplicates Z: 11 12.806 2.200 -0.008 0.835 1.000 0.700 CB 1.389 11 residues pruned to eliminate duplicates Z: 10 8.732 1.936 0.148 0.529 1.000 0.667 CA 1.272 10 residues pruned to eliminate duplicates Z: 20 10.870 1.874 0.298 0.445 0.947 0.579 CB 1.145 20 residues pruned to eliminate duplicates Z: 23 35.617 2.082 0.843 0.893 0.864 0.409 CA 1.646 23 residues pruned to eliminate duplicates Z: 24 24.605 2.120 0.518 0.565 1.000 0.565 CA 1.497 24 residues pruned to eliminate duplicates Z: 16 10.518 1.864 0.592 0.260 0.867 0.400 CB 1.388 16 residues pruned to eliminate duplicates Z: 6 4.079 1.906 0.255 0.474 0.800 0.600 CB 0.978 6 residues pruned to eliminate duplicates Z: 10 8.524 2.061 0.184 0.779 0.778 0.333 CB 1.171 9 residues pruned to eliminate duplicates Z: 10 5.716 1.962 0.357 0.204 0.778 0.333 CB 1.307 12 residues pruned to eliminate duplicates Z: 8 9.378 1.502 0.587 0.862 1.000 0.857 CA 1.092 8 residues pruned to eliminate duplicates Z: 25 9.498 1.884 0.175 0.285 0.792 0.417 CB 1.409 24 residues pruned to eliminate duplicates Z: 21 20.442 2.023 0.558 0.799 1.000 0.750 CA 1.116 21 residues pruned to eliminate duplicates Z: 36 17.213 2.083 0.242 0.361 0.857 0.486 CB 1.523 36 residues pruned to eliminate duplicates Z: 9 3.318 1.510 0.760 0.219 0.625 0.625 CA 0.982 Z: 15 21.421 2.142 0.665 0.709 0.929 0.500 CA 1.429 13 residues pruned to eliminate duplicates Z: 9 3.359 1.950 -0.008 0.321 0.750 0.375 CB 0.997 9 residues pruned to eliminate duplicates Z: 59 45.222 2.182 0.626 0.638 0.914 0.517 CB 1.610 59 residues pruned to eliminate duplicates Z: 9 11.150 2.088 0.029 0.745 1.000 0.875 CB 1.475 9 residues pruned to eliminate duplicates Z: 10 3.601 1.535 0.580 0.316 0.667 0.222 CA 0.910 9 residues pruned to eliminate duplicates Z: 14 14.668 2.011 0.591 0.487 0.846 0.615 CA 1.523 14 residues pruned to eliminate duplicates Z: 7 2.383 1.489 0.247 0.446 0.667 0.333 CA 0.831 5 residues pruned to eliminate duplicates Z: 7 5.118 1.950 0.207 0.834 0.833 0.667 CA 0.798 7 residues pruned to eliminate duplicates Z: 55 28.048 2.185 0.499 0.332 0.907 0.481 CB 1.544 55 residues pruned to eliminate duplicates 6 1.996 1.612 -0.465 0.658 1.000 0.600 C 0.893 ? Z: 22 12.605 1.835 0.456 0.356 0.857 0.524 CA 1.404 22 residues pruned to eliminate duplicates Z: 24 30.526 2.196 0.476 0.783 1.000 0.609 CA 1.531 25 residues pruned to eliminate duplicates Z: 25 16.072 2.130 0.448 0.339 0.875 0.500 CB 1.449 25 residues pruned to eliminate duplicates Z: 30 16.293 2.015 0.313 0.334 0.931 0.414 CB 1.474 30 residues pruned to eliminate duplicates Z: 24 22.795 2.055 0.341 0.756 1.000 0.783 CA 1.373 24 residues pruned to eliminate duplicates Z: 14 11.248 1.939 0.590 0.321 0.923 0.692 CA 1.336 14 residues pruned to eliminate duplicates Z: 23 36.904 1.997 0.764 0.926 1.000 0.409 CB 1.566 23 residues pruned to eliminate duplicates Z: 17 7.943 1.820 0.354 0.278 0.812 0.562 CA 1.275 17 residues pruned to eliminate duplicates Z: 22 28.235 2.151 0.648 0.653 1.000 0.524 CA 1.507 22 residues pruned to eliminate duplicates Z: 18 11.790 2.032 0.392 0.382 0.824 0.412 CB 1.391 18 residues pruned to eliminate duplicates Z: 12 10.790 2.195 -0.056 0.829 0.909 0.727 CB 1.299 12 residues pruned to eliminate duplicates Z: 17 12.388 1.838 0.566 0.480 0.875 0.562 CB 1.254 Z: 7 5.914 1.467 0.539 0.836 1.000 0.833 CA 0.800 7 residues pruned to eliminate duplicates Z: 11 8.489 1.671 1.030 0.760 0.900 0.700 CB 0.698 Z: 6 7.500 1.903 0.150 0.784 0.800 0.600 CA 1.492 6 residues pruned to eliminate duplicates Z: 15 13.258 2.222 0.334 0.448 0.786 0.714 CB 1.606 15 residues pruned to eliminate duplicates Z: 11 17.463 1.969 0.517 0.861 1.000 0.600 CA 1.359 11 residues pruned to eliminate duplicates Z: 8 4.874 1.667 -0.159 0.752 1.000 0.714 CB 1.049 Z: 9 8.055 1.866 0.552 0.488 0.750 0.750 CA 1.326 11 residues pruned to eliminate duplicates Z: 16 13.333 1.957 0.587 0.384 0.867 0.600 CA 1.447 16 residues pruned to eliminate duplicates Z: 14 14.613 1.988 0.291 0.703 1.000 0.692 CB 1.313 14 residues pruned to eliminate duplicates Z: 7 3.712 1.700 -0.208 0.670 0.833 0.667 C 1.154 Z: 7 6.139 1.708 0.322 0.574 0.833 0.500 CB 1.240 Z: 11 6.911 1.810 0.725 0.346 0.600 0.500 CA 1.379 11 residues pruned to eliminate duplicates Z: 16 9.763 1.957 0.272 0.349 0.867 0.267 CB 1.377 16 residues pruned to eliminate duplicates Z: 19 18.607 2.070 0.596 0.847 0.889 0.611 CA 1.108 19 residues pruned to eliminate duplicates Z: 7 4.178 1.610 0.319 0.633 1.000 0.500 CB 0.709 Z: 18 14.284 2.100 0.485 0.444 0.824 0.647 CA 1.430 18 residues pruned to eliminate duplicates Z: 6 6.152 1.481 0.420 0.521 1.000 0.600 CB 1.281 Z: 6 5.651 1.915 0.416 0.713 0.800 0.800 CA 0.961 6 residues pruned to eliminate duplicates Z: 27 27.006 2.087 0.485 0.753 0.962 0.731 CA 1.418 24 residues pruned to eliminate duplicates Z: 6 3.630 1.473 0.515 0.445 0.800 0.600 CA 0.963 Z: 12 16.451 2.051 0.372 0.775 1.000 0.818 CB 1.381 12 residues pruned to eliminate duplicates Z: 25 24.188 2.105 0.515 0.515 0.875 0.625 CA 1.742 28 residues pruned to eliminate duplicates Z: 19 16.732 2.073 0.459 0.893 0.889 0.556 CA 1.053 19 residues pruned to eliminate duplicates Z: 6 3.526 1.760 0.196 0.490 0.800 0.600 CB 0.946 Z: 27 21.294 2.155 0.475 0.420 0.962 0.500 CB 1.486 27 residues pruned to eliminate duplicates Z: 7 9.835 2.011 0.459 0.740 0.833 0.833 CA 1.324 6 1.299 1.450 -0.099 0.298 0.600 0.400 CB 0.928 ? Z: 11 12.364 1.892 0.775 0.444 0.900 0.600 CB 1.370 11 residues pruned to eliminate duplicates Z: 17 14.508 1.784 0.648 0.644 0.875 0.688 CA 1.233 16 residues pruned to eliminate duplicates Z: 19 12.722 1.873 0.569 0.443 0.833 0.500 CB 1.299 30 residues pruned to eliminate duplicates Z: 21 25.512 2.196 0.439 0.871 0.950 0.700 CB 1.386 21 residues pruned to eliminate duplicates Z: 8 6.245 1.701 0.228 0.451 1.000 0.429 N 1.187 Z: 6 5.134 1.830 0.213 0.643 1.000 0.800 CB 0.905 Z: 11 7.859 1.716 0.993 0.476 0.600 0.300 CB 1.241 11 residues pruned to eliminate duplicates Z: 6 3.535 1.558 0.760 0.436 0.600 0.400 CB 1.027 6 residues pruned to eliminate duplicates Z: 8 2.944 1.722 0.547 0.250 0.571 0.286 CA 0.974 Z: 6 2.077 1.300 0.490 0.324 0.800 0.600 CA 0.728 Z: 6 2.638 1.534 0.318 0.431 0.600 0.400 CB 1.044 Z: 11 9.129 2.066 0.210 0.437 0.700 0.600 CA 1.760 11 residues pruned to eliminate duplicates Z: 12 27.723 2.371 0.686 0.912 1.000 0.455 CB 1.480 12 residues pruned to eliminate duplicates Z: 8 8.618 1.632 0.430 0.685 1.000 0.857 CA 1.177 8 residues pruned to eliminate duplicates Z: 9 2.521 1.480 0.028 0.293 0.875 0.625 CB 0.845 Z: 11 6.721 1.909 0.215 0.409 0.800 0.300 CB 1.260 Z: 25 16.312 2.206 0.469 0.341 0.792 0.583 CA 1.543 25 residues pruned to eliminate duplicates Z: 7 5.368 1.559 0.434 0.464 1.000 0.667 CB 1.017 8 residues pruned to eliminate duplicates Z: 15 14.298 2.188 0.339 0.479 0.857 0.571 CB 1.554 15 residues pruned to eliminate duplicates Z: 12 11.099 1.693 0.543 0.867 0.727 0.364 N 1.288 12 residues pruned to eliminate duplicates Z: 14 13.733 2.010 0.240 0.597 1.000 0.769 CB 1.394 14 residues pruned to eliminate duplicates Z: 13 13.390 2.089 0.400 0.534 0.833 0.667 CB 1.533 13 residues pruned to eliminate duplicates Z: 10 12.104 2.021 0.409 0.646 1.000 0.333 CA 1.236 10 residues pruned to eliminate duplicates Z: 10 13.145 2.087 0.411 0.557 0.889 0.444 CA 1.585 10 residues pruned to eliminate duplicates Z: 6 2.666 1.640 0.105 0.375 0.600 0.400 CB 1.253 Z: 24 37.049 1.965 0.939 0.927 0.957 0.565 CB 1.485 24 residues pruned to eliminate duplicates Z: 6 3.054 1.805 -0.082 0.458 0.600 0.600 CA 1.434 Z: 24 13.929 2.057 0.435 0.385 0.739 0.609 CB 1.503 24 residues pruned to eliminate duplicates Z: 10 13.110 2.198 0.502 0.424 1.000 0.667 CB 1.433 11 residues pruned to eliminate duplicates Z: 25 20.616 2.222 0.447 0.369 0.958 0.500 CB 1.572 25 residues pruned to eliminate duplicates Z: 9 10.181 2.114 0.349 0.504 0.875 0.500 CB 1.437 9 residues pruned to eliminate duplicates 8 1.347 1.186 0.456 0.212 0.571 0.286 CB 0.724 ? Z: 9 10.146 1.725 0.712 0.669 0.750 0.750 CB 1.385 9 residues pruned to eliminate duplicates Z: 8 5.685 1.484 0.618 0.287 1.000 0.571 C 1.137 Z: 11 14.580 2.116 0.517 0.828 1.000 0.400 CB 1.081 11 residues pruned to eliminate duplicates Z: 21 28.699 2.201 0.627 0.819 0.900 0.400 CA 1.509 21 residues pruned to eliminate duplicates Z: 12 11.020 1.860 0.424 0.596 0.909 0.545 CA 1.259 13 residues pruned to eliminate duplicates Z: 11 15.141 1.908 0.349 0.819 1.000 0.700 CA 1.410 11 residues pruned to eliminate duplicates Z: 19 31.623 2.196 0.880 0.915 0.944 0.556 CB 1.350 19 residues pruned to eliminate duplicates Z: 11 9.756 1.803 0.356 0.546 0.800 0.600 CB 1.508 27 residues pruned to eliminate duplicates Z: 7 3.335 1.613 0.100 0.505 1.000 0.500 CB 0.764 Z: 6 3.236 1.161 0.636 0.462 0.800 0.600 CA 0.990 6 residues pruned to eliminate duplicates Z: 9 13.719 2.121 0.295 0.584 1.000 0.500 N 1.629 9 residues pruned to eliminate duplicates Z: 12 9.040 1.608 0.718 0.559 0.818 0.545 CB 1.139 9 residues pruned to eliminate duplicates Z: 9 6.446 1.758 0.341 0.505 0.750 0.500 CA 1.282 9 residues pruned to eliminate duplicates Z: 10 8.282 2.087 0.375 0.369 0.889 0.556 CA 1.247 10 residues pruned to eliminate duplicates Z: 15 11.897 2.170 0.074 0.491 0.929 0.786 CB 1.483 15 residues pruned to eliminate duplicates Z: 20 11.306 1.997 0.294 0.427 0.842 0.579 CB 1.286 20 residues pruned to eliminate duplicates Z: 6 5.198 1.728 0.757 0.837 1.000 1.000 CB 0.573 6 residues pruned to eliminate duplicates Z: 52 28.004 2.214 0.541 0.322 0.902 0.510 CB 1.551 53 residues pruned to eliminate duplicates Z: 7 3.230 1.353 0.111 0.423 1.000 0.667 CA 0.951 Z: 18 11.619 1.833 0.617 0.492 0.765 0.529 CB 1.254 7 residues pruned to eliminate duplicates Z: 17 11.268 2.108 0.138 0.454 0.875 0.500 CB 1.407 17 residues pruned to eliminate duplicates Z: 10 13.916 2.016 0.521 0.621 0.889 0.667 CA 1.518 17 residues pruned to eliminate duplicates Z: 17 12.440 1.813 0.869 0.373 0.875 0.375 CA 1.202 17 residues pruned to eliminate duplicates Z: 10 8.724 1.764 0.216 0.557 1.000 0.778 CB 1.282 Z: 7 11.798 1.659 0.876 0.698 1.000 0.667 CA 1.292 7 residues pruned to eliminate duplicates Z: 10 8.767 1.982 0.238 0.521 0.889 0.778 CA 1.313 10 residues pruned to eliminate duplicates Z: 14 16.520 2.172 0.807 0.359 0.846 0.385 CB 1.606 13 residues pruned to eliminate duplicates Z: 7 2.946 1.509 0.261 0.309 0.667 0.333 CB 1.171 Z: 17 7.416 1.869 0.205 0.356 0.875 0.438 CB 1.099 23 residues pruned to eliminate duplicates Z: 11 11.221 1.843 0.577 0.690 0.800 0.700 CB 1.283 11 residues pruned to eliminate duplicates Z: 28 22.078 2.180 0.600 0.386 0.926 0.444 CB 1.485 28 residues pruned to eliminate duplicates Z: 14 7.291 1.867 0.189 0.462 0.923 0.692 CA 1.026 4 residues pruned to eliminate duplicates Z: 9 2.650 1.309 0.382 0.278 0.750 0.500 CB 0.888 Z: 34 30.911 1.987 0.464 0.721 1.000 0.788 CA 1.516 34 residues pruned to eliminate duplicates Z: 6 8.758 1.794 0.778 0.684 1.000 0.800 CB 1.037 9 1.622 1.452 0.209 0.296 0.875 0.250 CB 0.469 ? Z: 13 8.563 1.890 0.236 0.342 0.833 0.583 N 1.509 20 residues pruned to eliminate duplicates Z: 6 4.123 1.747 0.067 0.534 0.800 0.600 C 1.195 Z: 9 9.465 1.844 0.662 0.659 0.750 0.500 CA 1.256 9 residues pruned to eliminate duplicates Z: 19 17.260 2.020 0.389 0.893 1.000 0.778 CA 1.040 19 residues pruned to eliminate duplicates Z: 7 5.388 1.730 -0.120 0.859 1.000 1.000 C 1.064 7 residues pruned to eliminate duplicates Z: 6 3.597 1.561 0.488 0.291 1.000 0.400 N 0.876 Z: 9 3.064 1.423 0.119 0.226 0.875 0.500 C 1.071 Z: 14 14.485 1.936 0.642 0.534 0.846 0.538 CB 1.444 40 residues pruned to eliminate duplicates Z: 17 22.932 2.062 0.956 0.912 0.938 0.625 CA 1.075 18 residues pruned to eliminate duplicates Z: 8 4.006 1.286 0.175 0.532 1.000 0.571 CB 0.971 6 1.699 1.372 0.286 0.456 0.800 0.400 CB 0.563 ? Z: 6 7.938 1.898 0.220 0.616 1.000 0.600 N 1.373 Z: 9 3.338 1.452 0.262 0.320 0.750 0.375 N 1.048 Z: 18 12.070 1.939 0.412 0.467 0.824 0.471 CB 1.342 18 residues pruned to eliminate duplicates Z: 6 4.023 1.612 0.031 0.793 0.800 0.600 CB 1.047 Z: 8 6.653 1.801 0.280 0.677 0.857 0.714 CB 1.081 Z: 19 32.945 2.064 0.949 0.859 1.000 0.333 CB 1.420 19 residues pruned to eliminate duplicates Z: 8 3.804 1.694 0.540 0.558 0.571 0.429 CB 0.912 Z: 7 6.365 1.476 0.771 0.714 0.833 0.833 N 0.983 Z: 6 2.493 1.427 0.249 0.438 0.800 0.400 CB 0.834 Z: 19 7.949 1.625 0.238 0.420 0.778 0.611 CA 1.301 14 residues pruned to eliminate duplicates Z: 9 7.458 1.663 0.213 0.714 0.875 0.750 CA 1.231 8 residues pruned to eliminate duplicates Z: 27 28.244 2.259 0.603 0.645 0.808 0.346 CA 1.655 27 residues pruned to eliminate duplicates Z: 20 21.193 2.052 0.435 0.913 1.000 0.737 CA 1.168 20 residues pruned to eliminate duplicates Z: 7 5.526 1.468 0.371 0.478 1.000 0.500 N 1.146 Z: 6 3.359 1.401 0.626 0.457 0.600 0.400 CA 1.149 Z: 9 5.798 1.721 0.144 0.609 0.750 0.750 CB 1.252 9 residues pruned to eliminate duplicates Z: 8 10.834 1.938 0.638 0.546 1.000 0.714 CB 1.233 8 residues pruned to eliminate duplicates Z: 8 4.576 1.701 -0.025 0.437 0.857 0.571 CB 1.298 8 residues pruned to eliminate duplicates 9 1.830 1.369 -0.169 0.457 0.875 0.375 C 0.679 ? Z: 12 5.772 1.889 0.240 0.379 0.818 0.364 CB 1.032 12 residues pruned to eliminate duplicates Z: 9 5.682 1.502 0.299 0.584 0.750 0.625 N 1.266 7 1.438 1.346 0.153 0.281 0.500 0.333 CB 0.968 ? Z: 27 16.523 2.131 0.255 0.408 0.885 0.500 CB 1.510 27 residues pruned to eliminate duplicates Z: 23 14.383 2.064 0.737 0.222 0.909 0.455 CB 1.304 23 residues pruned to eliminate duplicates Z: 6 2.715 1.595 0.347 0.398 0.600 0.400 CA 1.050 6 residues pruned to eliminate duplicates Z: 19 17.622 2.099 0.786 0.890 0.889 0.556 CA 0.897 19 residues pruned to eliminate duplicates Z: 6 4.279 1.576 -0.010 0.780 1.000 0.800 CB 0.959 6 residues pruned to eliminate duplicates Z: 35 14.800 2.079 0.236 0.301 0.824 0.441 CB 1.497 35 residues pruned to eliminate duplicates Z: 7 2.701 1.481 0.635 0.302 0.667 0.333 CA 0.852 Z: 9 5.391 1.888 0.156 0.308 0.875 0.500 CA 1.236 9 residues pruned to eliminate duplicates Z: 6 2.094 1.537 0.094 0.354 0.800 0.600 CB 0.816 Z: 6 2.351 1.762 0.048 0.235 0.800 0.400 CB 0.967 Z: 26 18.667 2.038 0.571 0.471 0.840 0.600 CA 1.430 26 residues pruned to eliminate duplicates Z: 7 2.971 1.444 0.788 0.338 0.500 0.500 N 1.122 Z: 6 7.165 1.870 0.934 0.602 1.000 0.600 CB 0.804 Z: 6 8.539 1.853 0.527 0.761 0.800 0.800 CA 1.338 6 residues pruned to eliminate duplicates Z: 14 7.526 1.763 0.390 0.298 0.846 0.615 CA 1.261 14 residues pruned to eliminate duplicates Z: 25 18.464 2.057 0.523 0.479 0.875 0.583 CA 1.404 25 residues pruned to eliminate duplicates Z: 6 2.120 1.271 0.419 0.188 1.000 0.600 N 0.764 Z: 6 5.474 1.297 0.802 0.674 1.000 0.600 CB 0.892 Z: 7 6.192 1.547 0.563 0.587 0.833 0.667 CB 1.154 Z: 12 7.769 1.735 0.400 0.376 0.818 0.545 CA 1.346 20 residues pruned to eliminate duplicates Z: 7 2.428 1.341 0.337 0.309 0.667 0.500 CB 1.025 Z: 46 37.412 2.206 0.621 0.590 0.867 0.511 CA 1.651 46 residues pruned to eliminate duplicates Z: 7 10.719 1.848 0.620 0.682 1.000 0.833 CA 1.237 7 residues pruned to eliminate duplicates Z: 18 7.845 1.864 0.451 0.556 0.882 0.647 CA 0.755 18 residues pruned to eliminate duplicates Z: 11 5.311 1.478 0.303 0.478 0.800 0.700 CB 1.115 11 residues pruned to eliminate duplicates Z: 9 4.419 1.544 0.388 0.488 0.875 0.250 CA 0.843 Z: 19 13.215 1.924 0.365 0.403 0.889 0.556 CB 1.478 19 residues pruned to eliminate duplicates Z: 7 5.542 1.457 0.223 0.546 1.000 0.667 N 1.213 Z: 15 23.484 2.169 0.529 0.845 0.929 0.714 CA 1.515 15 residues pruned to eliminate duplicates Z: 9 9.472 1.885 0.682 0.596 0.875 0.750 CA 1.102 9 residues pruned to eliminate duplicates Z: 20 15.243 1.969 0.350 0.851 0.842 0.684 CA 1.156 20 residues pruned to eliminate duplicates Z: 8 8.483 1.875 0.212 0.707 0.857 0.857 CB 1.363 8 residues pruned to eliminate duplicates Z: 12 6.506 1.791 0.290 0.397 0.727 0.545 CA 1.302 12 residues pruned to eliminate duplicates 6 1.312 1.464 0.627 0.413 0.600 0.600 CB 0.450 ? Z: 10 2.798 1.486 0.139 0.193 0.667 0.444 N 1.193 10 residues pruned to eliminate duplicates Z: 7 4.657 1.562 0.139 0.562 0.833 0.833 CA 1.208 7 residues pruned to eliminate duplicates Z: 17 16.415 2.082 0.333 0.572 0.938 0.812 CA 1.471 17 residues pruned to eliminate duplicates Z: 7 5.573 1.471 0.820 0.555 0.667 0.667 CA 1.209 Z: 10 12.662 1.988 0.521 0.584 0.889 0.444 CA 1.449 10 residues pruned to eliminate duplicates Z: 9 4.833 1.318 0.832 0.446 1.000 0.625 CB 0.748 Z: 16 16.428 1.957 0.540 0.448 1.000 0.733 CA 1.484 16 residues pruned to eliminate duplicates Z: 21 12.429 1.916 0.426 0.371 0.950 0.500 CB 1.230 21 residues pruned to eliminate duplicates Z: 6 12.473 2.024 0.458 0.768 1.000 1.000 CA 1.490 6 residues pruned to eliminate duplicates Z: 10 2.881 1.405 0.282 0.166 0.889 0.444 CA 0.901 10 residues pruned to eliminate duplicates Z: 16 8.514 1.753 0.498 0.340 0.867 0.400 CB 1.150 16 residues pruned to eliminate duplicates Z: 7 6.744 1.382 0.733 0.494 1.000 0.667 C 1.157 Z: 21 23.248 2.092 0.470 0.825 1.000 0.600 CB 1.276 21 residues pruned to eliminate duplicates Z: 10 11.402 2.047 0.307 0.735 0.889 0.556 CB 1.294 10 residues pruned to eliminate duplicates Z: 6 2.734 1.291 0.457 0.455 0.800 0.600 CA 0.850 Z: 7 3.501 1.625 0.216 0.257 0.833 0.333 CB 1.147 Z: 24 15.810 2.027 0.403 0.428 0.870 0.522 CA 1.437 24 residues pruned to eliminate duplicates Z: 6 2.010 1.396 0.006 0.464 0.800 0.600 CA 0.830 Z: 10 7.000 1.805 0.123 0.524 0.778 0.667 CA 1.445 10 residues pruned to eliminate duplicates Z: 6 4.945 1.856 0.124 0.569 1.000 0.600 CB 0.992 6 residues pruned to eliminate duplicates Z: 12 3.425 1.459 0.295 0.242 0.818 0.455 CB 0.901 Z: 9 6.607 1.911 -0.066 0.657 0.875 0.625 CB 1.292 8 residues pruned to eliminate duplicates Z: 19 5.922 1.490 0.472 0.326 0.667 0.500 CA 1.156 19 residues pruned to eliminate duplicates Z: 6 2.311 1.476 0.802 0.272 0.600 0.400 CB 0.839 Z: 12 19.908 2.107 0.569 0.829 1.000 0.818 CA 1.367 12 residues pruned to eliminate duplicates Z: 6 3.540 1.472 0.137 0.430 1.000 0.800 N 1.017 Z: 24 27.346 2.123 0.473 0.833 1.000 0.739 CA 1.367 24 residues pruned to eliminate duplicates Z: 7 4.119 1.464 0.549 0.437 0.833 0.333 C 0.949 Z: 8 3.403 1.358 0.276 0.373 0.857 0.429 N 0.992 Z: 19 39.033 2.287 0.687 0.895 0.944 0.444 CB 1.810 19 residues pruned to eliminate duplicates Z: 7 5.693 1.621 0.087 0.641 0.833 0.667 N 1.387 7 residues pruned to eliminate duplicates Z: 17 13.976 1.827 0.441 0.662 0.938 0.562 CB 1.219 17 residues pruned to eliminate duplicates Z: 8 6.025 1.809 -0.044 0.619 0.857 0.714 CB 1.372 8 residues pruned to eliminate duplicates Z: 9 3.028 1.469 0.396 0.323 0.625 0.625 CB 1.015 Z: 7 2.792 1.526 0.345 0.360 0.667 0.500 CA 0.969 Z: 7 4.453 1.571 0.179 0.370 0.833 0.333 C 1.355 7 residues pruned to eliminate duplicates Z: 19 10.064 1.861 0.273 0.405 0.778 0.556 CA 1.422 19 residues pruned to eliminate duplicates Z: 7 2.160 1.153 0.151 0.403 1.000 0.667 CA 0.736 Z: 16 7.227 1.609 0.472 0.321 0.733 0.467 CB 1.308 16 residues pruned to eliminate duplicates Z: 27 19.797 2.036 0.477 0.429 0.846 0.462 CA 1.641 28 residues pruned to eliminate duplicates Z: 20 28.541 2.015 0.968 0.911 0.947 0.526 CB 1.235 20 residues pruned to eliminate duplicates Z: 10 8.269 2.020 0.219 0.467 1.000 0.667 CB 1.158 10 residues pruned to eliminate duplicates Z: 13 16.382 1.707 0.714 0.848 0.917 0.417 CA 1.308 13 residues pruned to eliminate duplicates Z: 14 8.697 2.110 0.079 0.358 0.769 0.538 CB 1.604 14 residues pruned to eliminate duplicates Z: 6 5.147 1.636 0.396 0.423 0.800 0.600 CB 1.364 6 1.487 1.125 0.559 0.405 0.600 0.600 CB 0.698 ? Z: 11 10.925 1.676 0.484 0.649 1.000 0.700 CB 1.208 11 residues pruned to eliminate duplicates Z: 10 11.408 1.890 0.765 0.484 0.889 0.667 CA 1.303 10 residues pruned to eliminate duplicates Z: 8 3.689 1.665 0.888 0.206 0.571 0.429 CB 1.099 Z: 13 7.005 1.694 0.488 0.589 0.750 0.583 CB 0.982 13 residues pruned to eliminate duplicates Z: 22 15.440 2.055 0.632 0.299 0.905 0.667 CB 1.390 22 residues pruned to eliminate duplicates 6 1.761 1.439 0.502 0.283 0.800 0.600 CB 0.582 ? Z: 18 19.598 1.858 0.810 0.640 0.824 0.588 CA 1.505 18 residues pruned to eliminate duplicates Z: 20 20.024 2.004 0.525 0.581 1.000 0.684 CA 1.391 20 residues pruned to eliminate duplicates Z: 6 2.251 1.377 0.467 0.337 0.800 0.600 CB 0.745 Z: 12 6.780 1.555 0.706 0.498 0.909 0.545 CB 0.850 Z: 40 40.569 2.254 0.432 0.699 1.000 0.564 CB 1.679 40 residues pruned to eliminate duplicates Z: 16 8.863 1.686 0.438 0.379 0.867 0.600 CA 1.239 16 residues pruned to eliminate duplicates Z: 12 6.237 1.658 0.249 0.359 0.727 0.455 CA 1.455 12 residues pruned to eliminate duplicates Z: 17 13.258 1.818 0.459 0.535 0.875 0.625 CA 1.379 15 residues pruned to eliminate duplicates Z: 10 12.658 2.043 0.575 0.453 0.889 0.667 CB 1.547 10 residues pruned to eliminate duplicates Z: 9 13.341 1.932 0.768 0.709 0.875 0.875 CB 1.305 9 residues pruned to eliminate duplicates Z: 13 15.627 2.007 0.447 0.703 0.917 0.417 CA 1.409 13 residues pruned to eliminate duplicates Z: 8 7.585 1.901 0.361 0.389 1.000 0.286 CB 1.247 8 residues pruned to eliminate duplicates Z: 10 4.014 1.468 0.578 0.253 0.667 0.222 C 1.151 Z: 16 5.537 1.675 0.166 0.465 0.667 0.667 CA 1.137 16 residues pruned to eliminate duplicates Z: 6 2.577 1.252 0.081 0.825 1.000 0.800 CA 0.642 Z: 15 6.986 1.814 0.351 0.297 0.786 0.500 CB 1.216 15 residues pruned to eliminate duplicates Z: 7 7.525 1.690 0.542 0.460 1.000 0.667 C 1.228 7 residues pruned to eliminate duplicates Z: 6 3.297 1.558 0.244 0.475 1.000 0.800 CB 0.780 6 residues pruned to eliminate duplicates Z: 8 2.494 1.198 0.363 0.348 0.714 0.286 C 0.953 Z: 14 7.944 1.815 0.252 0.381 0.769 0.538 CA 1.430 14 residues pruned to eliminate duplicates Z: 33 19.584 2.053 0.408 0.397 0.875 0.500 CB 1.527 33 residues pruned to eliminate duplicates Z: 8 3.988 1.573 0.254 0.412 0.857 0.429 CB 0.977 Z: 10 13.644 2.139 0.239 0.864 1.000 0.778 CB 1.258 10 residues pruned to eliminate duplicates Z: 9 2.571 1.298 0.252 0.249 0.750 0.375 O 0.996 Using tripeptides from previous cycle as seeds Z: 17 18.007 2.135 0.378 0.560 1.000 0.750 CB 1.445 17 residues pruned to eliminate duplicates Z: 18 18.384 2.089 0.345 0.559 1.000 0.765 CB 1.498 18 residues pruned to eliminate duplicates Z: 18 19.917 2.042 0.460 0.551 1.000 0.706 CB 1.542 18 residues pruned to eliminate duplicates Z: 18 20.663 2.044 0.468 0.565 1.000 0.765 CB 1.568 18 residues pruned to eliminate duplicates Z: 17 17.506 2.105 0.315 0.553 1.000 0.750 CB 1.502 17 residues pruned to eliminate duplicates Z: 18 21.656 2.056 0.465 0.599 1.000 0.765 CB 1.586 18 residues pruned to eliminate duplicates Z: 19 18.315 2.014 0.391 0.528 1.000 0.722 CA 1.498 19 residues pruned to eliminate duplicates Z: 18 20.520 2.088 0.405 0.578 1.000 0.647 CB 1.573 18 residues pruned to eliminate duplicates Z: 18 14.233 2.009 0.214 0.569 0.941 0.588 CB 1.406 18 residues pruned to eliminate duplicates Z: 20 14.421 1.975 0.266 0.507 0.947 0.632 CB 1.386 20 residues pruned to eliminate duplicates Z: 16 19.291 2.122 0.456 0.592 1.000 0.733 CB 1.476 16 residues pruned to eliminate duplicates Z: 18 16.034 2.044 0.347 0.525 1.000 0.765 CB 1.378 18 residues pruned to eliminate duplicates Z: 18 18.584 2.029 0.414 0.553 1.000 0.706 CB 1.491 18 residues pruned to eliminate duplicates Z: 17 17.764 2.109 0.392 0.575 1.000 0.688 CB 1.407 17 residues pruned to eliminate duplicates Z: 18 20.946 2.086 0.498 0.573 1.000 0.706 CB 1.515 18 residues pruned to eliminate duplicates Z: 19 17.297 2.000 0.480 0.521 0.944 0.667 CB 1.428 19 residues pruned to eliminate duplicates Z: 10 5.767 1.832 0.183 0.317 0.778 0.333 CA 1.396 10 residues pruned to eliminate duplicates Z: 6 7.442 1.830 0.605 0.454 0.800 0.800 CB 1.485 6 residues pruned to eliminate duplicates Z: 9 5.581 1.850 0.080 0.390 0.750 0.500 CA 1.479 9 residues pruned to eliminate duplicates Z: 11 9.295 1.870 0.384 0.455 0.800 0.600 CA 1.486 8 residues pruned to eliminate duplicates Z: 6 5.573 1.678 0.735 0.357 1.000 0.400 N 0.999 6 residues pruned to eliminate duplicates Z: 16 8.451 1.792 0.429 0.317 0.867 0.333 CB 1.203 16 residues pruned to eliminate duplicates Z: 10 9.250 1.786 0.694 0.421 0.889 0.333 CA 1.244 10 residues pruned to eliminate duplicates Z: 12 5.757 1.730 0.401 0.343 0.727 0.364 CA 1.168 12 residues pruned to eliminate duplicates Z: 9 9.494 1.822 0.429 0.371 1.000 0.625 C 1.481 9 residues pruned to eliminate duplicates Z: 6 4.536 1.660 0.657 0.293 0.800 0.400 CA 1.163 6 residues pruned to eliminate duplicates Z: 9 11.059 1.952 0.451 0.427 1.000 0.500 CB 1.489 8 residues pruned to eliminate duplicates Z: 8 3.041 1.234 0.328 0.335 1.000 0.714 CA 0.840 8 residues pruned to eliminate duplicates Z: 15 18.211 2.098 0.386 0.656 1.000 0.857 CB 1.448 16 residues pruned to eliminate duplicates Z: 17 14.636 2.002 0.312 0.574 0.938 0.688 CB 1.384 17 residues pruned to eliminate duplicates Z: 10 15.458 2.222 0.132 0.785 1.000 0.889 CA 1.594 10 residues pruned to eliminate duplicates Z: 18 12.520 1.917 0.265 0.541 0.941 0.706 CB 1.278 18 residues pruned to eliminate duplicates Z: 10 15.278 2.187 0.279 0.787 1.000 1.000 CA 1.414 10 residues pruned to eliminate duplicates Z: 16 14.436 2.000 0.216 0.676 1.000 0.800 CB 1.303 16 residues pruned to eliminate duplicates Z: 12 13.289 2.101 0.264 0.670 0.909 0.909 CB 1.418 12 residues pruned to eliminate duplicates Z: 7 5.586 1.656 0.680 0.394 0.833 0.667 CA 1.100 7 residues pruned to eliminate duplicates Z: 8 5.756 1.668 0.679 0.477 0.857 0.571 CA 0.928 8 residues pruned to eliminate duplicates Z: 16 15.808 2.002 0.570 0.463 0.933 0.533 CA 1.444 18 residues pruned to eliminate duplicates Z: 6 6.302 1.603 0.742 0.399 0.800 0.800 N 1.404 6 residues pruned to eliminate duplicates Z: 15 16.475 2.032 0.365 0.553 1.000 0.643 CA 1.507 15 residues pruned to eliminate duplicates Z: 6 5.750 1.758 0.927 0.354 0.800 0.600 CA 1.112 7 residues pruned to eliminate duplicates Z: 8 7.748 1.843 0.262 0.744 1.000 0.429 CA 1.012 7 residues pruned to eliminate duplicates Z: 7 6.768 1.920 0.098 0.739 0.833 0.667 CA 1.269 7 residues pruned to eliminate duplicates Z: 12 9.843 1.833 0.274 0.593 0.909 0.636 CA 1.278 12 residues pruned to eliminate duplicates Z: 13 11.929 1.814 0.497 0.551 1.000 0.583 CA 1.206 11 residues pruned to eliminate duplicates Z: 6 9.869 1.919 0.651 0.706 1.000 0.800 CA 1.155 8 residues pruned to eliminate duplicates Z: 10 6.165 1.730 0.300 0.572 0.889 0.667 CA 0.958 10 residues pruned to eliminate duplicates Z: 12 4.105 1.627 0.242 0.319 0.818 0.545 CA 0.915 12 residues pruned to eliminate duplicates Z: 8 6.767 1.744 0.390 0.605 0.857 0.571 CA 1.114 8 residues pruned to eliminate duplicates Z: 13 9.511 1.782 0.383 0.497 0.917 0.750 CA 1.219 13 residues pruned to eliminate duplicates Z: 27 19.443 2.195 0.634 0.330 0.808 0.500 CA 1.586 27 residues pruned to eliminate duplicates Z: 27 22.783 2.202 0.701 0.374 0.923 0.538 CA 1.479 27 residues pruned to eliminate duplicates Z: 28 18.622 2.168 0.469 0.417 0.852 0.556 CB 1.441 27 residues pruned to eliminate duplicates Z: 6 3.402 1.719 0.686 0.154 0.800 0.400 CB 1.004 6 residues pruned to eliminate duplicates Z: 26 21.925 2.267 0.571 0.353 0.920 0.480 CB 1.567 26 residues pruned to eliminate duplicates 6 1.549 1.310 0.518 0.131 0.600 0.600 N 0.920 ? Z: 6 8.067 1.888 0.492 0.418 1.000 0.400 CB 1.395 6 residues pruned to eliminate duplicates Z: 26 21.704 2.239 0.568 0.369 0.880 0.520 CA 1.616 26 residues pruned to eliminate duplicates Z: 26 19.740 2.279 0.475 0.330 0.840 0.480 CB 1.684 26 residues pruned to eliminate duplicates Z: 24 21.206 2.328 0.533 0.336 0.870 0.565 CB 1.705 24 residues pruned to eliminate duplicates Z: 26 22.016 2.239 0.633 0.363 0.880 0.440 CA 1.585 26 residues pruned to eliminate duplicates Z: 27 20.043 2.237 0.545 0.306 0.885 0.462 CB 1.596 27 residues pruned to eliminate duplicates Z: 26 23.139 2.264 0.629 0.343 0.920 0.520 CB 1.617 26 residues pruned to eliminate duplicates Z: 27 20.399 2.219 0.596 0.336 0.885 0.500 CA 1.527 27 residues pruned to eliminate duplicates Z: 28 19.729 2.198 0.502 0.323 0.926 0.407 CA 1.509 28 residues pruned to eliminate duplicates Z: 16 12.960 2.194 0.482 0.340 0.800 0.333 CA 1.531 16 residues pruned to eliminate duplicates Z: 16 15.602 2.188 0.458 0.469 0.867 0.533 CA 1.504 16 residues pruned to eliminate duplicates Z: 29 23.930 2.151 0.767 0.369 0.929 0.429 CA 1.476 29 residues pruned to eliminate duplicates Z: 30 20.739 2.106 0.618 0.327 0.931 0.517 CA 1.468 30 residues pruned to eliminate duplicates Z: 13 11.575 1.925 0.648 0.365 0.833 0.667 CA 1.461 13 residues pruned to eliminate duplicates Z: 24 19.652 2.262 0.630 0.344 0.870 0.609 CA 1.516 24 residues pruned to eliminate duplicates Z: 27 17.052 2.201 0.647 0.285 0.846 0.462 CB 1.389 27 residues pruned to eliminate duplicates Z: 27 19.730 2.225 0.583 0.270 0.923 0.462 CA 1.547 27 residues pruned to eliminate duplicates Z: 62 25.686 2.149 0.500 0.303 0.869 0.475 CB 1.463 62 residues pruned to eliminate duplicates Z: 30 15.040 2.036 0.434 0.336 0.828 0.310 CB 1.383 30 residues pruned to eliminate duplicates Z: 53 28.173 2.198 0.566 0.328 0.885 0.500 CB 1.549 53 residues pruned to eliminate duplicates Z: 45 25.168 2.152 0.457 0.364 0.886 0.568 CB 1.579 45 residues pruned to eliminate duplicates Z: 33 17.734 2.100 0.332 0.374 0.844 0.531 CB 1.519 33 residues pruned to eliminate duplicates Z: 52 23.795 2.098 0.538 0.324 0.863 0.471 CB 1.453 52 residues pruned to eliminate duplicates Z: 40 22.104 2.152 0.366 0.361 0.897 0.538 CB 1.559 40 residues pruned to eliminate duplicates Z: 29 15.270 2.069 0.340 0.361 0.821 0.464 CB 1.472 29 residues pruned to eliminate duplicates Z: 14 11.964 2.130 0.399 0.327 1.000 0.462 CA 1.347 14 residues pruned to eliminate duplicates Z: 31 16.684 2.084 0.365 0.325 0.867 0.467 CB 1.496 31 residues pruned to eliminate duplicates Z: 32 16.945 2.160 0.406 0.313 0.774 0.452 CB 1.592 32 residues pruned to eliminate duplicates Z: 13 10.236 2.067 0.521 0.292 1.000 0.667 CA 1.187 13 residues pruned to eliminate duplicates Z: 57 23.914 2.178 0.382 0.308 0.857 0.482 CB 1.533 57 residues pruned to eliminate duplicates Z: 60 24.759 2.187 0.422 0.276 0.864 0.475 CB 1.546 60 residues pruned to eliminate duplicates Z: 30 13.787 2.088 0.318 0.301 0.759 0.448 CA 1.531 30 residues pruned to eliminate duplicates Z: 29 16.234 2.136 0.213 0.374 0.857 0.536 CB 1.580 29 residues pruned to eliminate duplicates Z: 30 17.498 2.075 0.397 0.348 0.862 0.483 CB 1.533 30 residues pruned to eliminate duplicates Z: 22 14.316 2.085 0.366 0.404 0.905 0.571 CA 1.340 22 residues pruned to eliminate duplicates Z: 18 12.665 2.107 0.224 0.424 0.941 0.529 CB 1.370 18 residues pruned to eliminate duplicates Z: 19 8.809 2.107 0.248 0.281 0.722 0.444 CB 1.399 19 residues pruned to eliminate duplicates Z: 18 12.213 2.132 0.274 0.364 0.824 0.294 CB 1.533 18 residues pruned to eliminate duplicates Z: 42 19.070 2.115 0.394 0.286 0.854 0.512 CB 1.504 42 residues pruned to eliminate duplicates Z: 59 25.314 2.086 0.470 0.317 0.914 0.517 CB 1.452 59 residues pruned to eliminate duplicates Z: 35 18.513 2.111 0.351 0.374 0.853 0.618 CB 1.493 35 residues pruned to eliminate duplicates Z: 45 19.140 2.095 0.401 0.296 0.818 0.500 CB 1.508 45 residues pruned to eliminate duplicates Z: 23 11.029 2.076 0.180 0.358 0.818 0.455 CB 1.368 23 residues pruned to eliminate duplicates Z: 35 17.754 2.112 0.367 0.311 0.824 0.529 CB 1.580 35 residues pruned to eliminate duplicates Z: 20 11.530 2.044 0.309 0.288 0.842 0.526 CB 1.490 20 residues pruned to eliminate duplicates Z: 22 10.394 2.071 0.181 0.295 0.810 0.429 CB 1.442 22 residues pruned to eliminate duplicates Z: 8 6.438 2.005 0.555 0.467 0.571 0.429 N 1.412 8 residues pruned to eliminate duplicates Z: 24 12.474 2.089 0.183 0.325 0.826 0.478 CB 1.545 24 residues pruned to eliminate duplicates Z: 23 10.549 1.964 0.155 0.370 0.818 0.318 CB 1.393 23 residues pruned to eliminate duplicates Z: 35 14.733 2.081 0.169 0.349 0.794 0.529 CA 1.541 35 residues pruned to eliminate duplicates Z: 47 42.388 2.252 0.537 0.647 0.935 0.674 CA 1.683 47 residues pruned to eliminate duplicates Z: 60 29.471 2.153 0.394 0.454 0.864 0.458 CB 1.551 60 residues pruned to eliminate duplicates Z: 51 26.442 2.143 0.473 0.402 0.820 0.440 CA 1.601 51 residues pruned to eliminate duplicates Z: 26 28.249 2.251 0.586 0.657 0.920 0.520 CA 1.487 26 residues pruned to eliminate duplicates Z: 85 36.603 2.153 0.350 0.460 0.893 0.536 CA 1.602 85 residues pruned to eliminate duplicates Z: 73 46.995 2.227 0.516 0.611 0.958 0.542 CB 1.541 73 residues pruned to eliminate duplicates Z: 39 23.865 2.187 0.348 0.420 0.842 0.447 CA 1.695 39 residues pruned to eliminate duplicates Z: 48 40.885 2.226 0.504 0.635 0.936 0.660 CA 1.676 48 residues pruned to eliminate duplicates Z: 19 16.223 2.265 0.462 0.510 0.833 0.444 CA 1.372 19 residues pruned to eliminate duplicates Z: 22 18.677 2.067 0.654 0.461 0.857 0.476 CA 1.448 22 residues pruned to eliminate duplicates Z: 92 39.996 2.204 0.385 0.504 0.868 0.516 CB 1.577 92 residues pruned to eliminate duplicates Z: 59 43.386 2.255 0.526 0.580 0.931 0.586 CB 1.646 59 residues pruned to eliminate duplicates Z: 23 21.671 2.199 0.539 0.572 0.909 0.591 CA 1.402 23 residues pruned to eliminate duplicates Z: 91 41.109 2.171 0.407 0.489 0.911 0.467 CB 1.574 91 residues pruned to eliminate duplicates Z: 73 50.065 2.231 0.597 0.592 0.931 0.514 CB 1.630 73 residues pruned to eliminate duplicates Z: 42 42.327 2.286 0.512 0.688 0.951 0.463 CB 1.692 42 residues pruned to eliminate duplicates Z: 72 44.732 2.250 0.492 0.579 0.930 0.465 CB 1.578 72 residues pruned to eliminate duplicates Z: 55 39.961 2.256 0.417 0.588 0.963 0.556 CB 1.623 55 residues pruned to eliminate duplicates Z: 51 40.136 2.274 0.490 0.629 0.920 0.540 CB 1.613 51 residues pruned to eliminate duplicates Z: 73 47.992 2.249 0.549 0.588 0.931 0.542 CB 1.604 73 residues pruned to eliminate duplicates Z: 32 26.522 2.239 0.324 0.635 0.871 0.548 CB 1.626 32 residues pruned to eliminate duplicates Z: 51 43.876 2.267 0.571 0.654 0.900 0.540 CB 1.677 51 residues pruned to eliminate duplicates Z: 53 46.565 2.309 0.543 0.630 0.981 0.538 CB 1.635 53 residues pruned to eliminate duplicates Z: 72 50.035 2.243 0.574 0.624 0.958 0.577 CB 1.563 72 residues pruned to eliminate duplicates Z: 17 39.954 2.350 0.884 0.895 0.938 0.625 CB 1.725 17 residues pruned to eliminate duplicates Z: 72 47.889 2.231 0.584 0.600 0.944 0.479 CB 1.550 72 residues pruned to eliminate duplicates Z: 41 50.298 2.317 0.733 0.700 0.975 0.625 CB 1.694 41 residues pruned to eliminate duplicates Z: 72 44.701 2.244 0.530 0.603 0.901 0.606 CB 1.555 72 residues pruned to eliminate duplicates Z: 43 45.886 2.294 0.641 0.680 0.952 0.571 CA 1.674 43 residues pruned to eliminate duplicates Z: 42 38.832 2.242 0.559 0.675 0.951 0.561 CA 1.552 42 residues pruned to eliminate duplicates Z: 42 41.388 2.264 0.489 0.659 0.976 0.561 CA 1.695 42 residues pruned to eliminate duplicates Z: 45 36.173 2.253 0.599 0.600 0.909 0.523 CB 1.514 45 residues pruned to eliminate duplicates Z: 29 40.202 2.342 0.624 0.722 0.929 0.536 CB 1.761 29 residues pruned to eliminate duplicates Z: 43 33.969 2.258 0.370 0.632 0.929 0.429 CB 1.611 43 residues pruned to eliminate duplicates Z: 58 42.446 2.207 0.563 0.623 0.912 0.491 CB 1.591 58 residues pruned to eliminate duplicates Z: 19 13.993 2.166 0.100 0.557 0.889 0.556 CB 1.474 19 residues pruned to eliminate duplicates Z: 46 28.467 2.194 0.409 0.507 0.956 0.600 CB 1.427 46 residues pruned to eliminate duplicates Z: 43 47.842 2.295 0.637 0.692 1.000 0.619 CA 1.648 43 residues pruned to eliminate duplicates Z: 39 32.045 2.190 0.480 0.622 0.842 0.526 CA 1.698 39 residues pruned to eliminate duplicates Z: 19 12.934 2.207 0.359 0.397 0.944 0.222 CB 1.200 19 residues pruned to eliminate duplicates Z: 20 19.817 2.322 0.508 0.540 0.895 0.474 CB 1.396 20 residues pruned to eliminate duplicates Z: 40 49.652 2.332 0.691 0.699 0.974 0.590 CB 1.727 40 residues pruned to eliminate duplicates Z: 31 22.371 2.171 0.524 0.491 0.900 0.600 CB 1.384 31 residues pruned to eliminate duplicates Z: 13 14.664 2.131 0.679 0.262 1.000 0.167 CA 1.554 13 residues pruned to eliminate duplicates Z: 63 42.791 2.232 0.639 0.581 0.919 0.548 CB 1.495 63 residues pruned to eliminate duplicates Z: 14 10.897 2.182 0.537 0.242 0.923 0.538 CB 1.316 14 residues pruned to eliminate duplicates Z: 32 22.957 2.054 0.551 0.466 0.903 0.548 CB 1.484 32 residues pruned to eliminate duplicates Z: 30 26.974 2.189 0.601 0.485 0.966 0.621 CB 1.503 30 residues pruned to eliminate duplicates Z: 7 7.513 1.846 0.325 0.414 1.000 0.333 CA 1.373 7 residues pruned to eliminate duplicates Z: 31 27.394 2.158 0.674 0.492 0.933 0.433 CB 1.496 31 residues pruned to eliminate duplicates Z: 28 17.723 2.135 0.406 0.502 0.889 0.407 CB 1.276 28 residues pruned to eliminate duplicates Z: 32 20.429 2.109 0.556 0.458 0.903 0.484 CB 1.293 32 residues pruned to eliminate duplicates Z: 19 10.718 1.901 0.567 0.258 0.833 0.389 CB 1.343 19 residues pruned to eliminate duplicates Z: 66 45.080 2.213 0.632 0.613 0.938 0.462 CB 1.483 66 residues pruned to eliminate duplicates Z: 31 21.211 2.122 0.681 0.405 0.867 0.500 CB 1.385 31 residues pruned to eliminate duplicates Z: 21 19.621 2.145 0.491 0.528 0.900 0.450 CB 1.483 21 residues pruned to eliminate duplicates Z: 43 28.007 2.210 0.397 0.565 0.929 0.548 CB 1.415 43 residues pruned to eliminate duplicates Z: 54 30.343 2.153 0.569 0.528 0.887 0.415 CB 1.354 54 residues pruned to eliminate duplicates Z: 91 42.084 2.197 0.515 0.503 0.856 0.433 CB 1.554 91 residues pruned to eliminate duplicates Z: 24 21.731 2.138 0.584 0.491 0.913 0.435 CB 1.478 24 residues pruned to eliminate duplicates Z: 71 46.856 2.244 0.627 0.579 0.943 0.471 CB 1.508 71 residues pruned to eliminate duplicates Z: 30 27.324 2.168 0.657 0.497 0.931 0.414 CB 1.521 30 residues pruned to eliminate duplicates Z: 30 26.352 2.185 0.576 0.475 0.931 0.517 CB 1.566 30 residues pruned to eliminate duplicates Z: 30 23.796 2.196 0.616 0.459 0.897 0.448 CB 1.449 30 residues pruned to eliminate duplicates Z: 32 25.685 2.116 0.677 0.444 0.968 0.484 CB 1.423 32 residues pruned to eliminate duplicates Z: 18 28.296 2.155 0.730 0.636 1.000 0.647 CB 1.621 18 residues pruned to eliminate duplicates Z: 11 18.265 1.947 0.813 0.839 0.900 0.700 CA 1.358 11 residues pruned to eliminate duplicates Z: 13 21.490 2.134 0.797 0.672 0.833 0.750 CA 1.656 13 residues pruned to eliminate duplicates Z: 17 24.643 1.950 0.792 0.657 1.000 0.562 CA 1.523 17 residues pruned to eliminate duplicates Z: 11 15.794 1.841 0.651 0.838 1.000 0.500 CA 1.228 11 residues pruned to eliminate duplicates Z: 30 29.500 2.187 0.627 0.514 0.966 0.552 CB 1.572 30 residues pruned to eliminate duplicates Z: 10 9.743 1.707 0.681 0.549 0.889 0.111 CA 1.213 18 residues pruned to eliminate duplicates Z: 6 5.679 1.846 0.255 0.487 1.000 0.200 CB 1.111 6 residues pruned to eliminate duplicates Z: 14 5.895 1.682 0.325 0.290 0.846 0.077 CB 1.098 13 residues pruned to eliminate duplicates Z: 9 5.320 1.593 0.237 0.607 0.875 0.500 CB 0.985 9 residues pruned to eliminate duplicates Z: 13 9.396 1.897 0.337 0.464 0.917 0.250 CB 1.211 17 residues pruned to eliminate duplicates Z: 9 8.924 1.720 0.479 0.696 1.000 0.625 CA 1.036 10 residues pruned to eliminate duplicates Z: 8 6.546 1.829 0.520 0.550 0.714 0.571 CA 1.186 8 residues pruned to eliminate duplicates Z: 11 8.397 1.854 0.519 0.330 0.800 0.200 CB 1.420 6 residues pruned to eliminate duplicates Z: 7 8.408 1.999 0.344 0.651 1.000 0.667 CA 1.110 7 residues pruned to eliminate duplicates Z: 7 3.827 1.712 0.712 0.169 0.667 0.167 CB 1.194 7 residues pruned to eliminate duplicates Z: 7 3.791 1.679 0.690 0.186 0.833 0.333 CA 0.954 7 residues pruned to eliminate duplicates Z: 10 2.801 1.596 0.310 0.056 0.667 0.111 CB 1.206 10 residues pruned to eliminate duplicates Z: 10 2.510 1.588 0.364 0.315 0.556 0.222 CB 0.854 10 residues pruned to eliminate duplicates Z: 9 12.789 2.090 0.588 0.628 0.875 0.750 CA 1.380 15 residues pruned to eliminate duplicates Z: 7 6.782 1.475 0.615 0.525 1.000 0.500 CA 1.135 6 residues pruned to eliminate duplicates Z: 6 3.781 1.626 0.411 0.197 1.000 0.400 C 1.056 6 residues pruned to eliminate duplicates Z: 34 23.296 2.017 0.642 0.634 0.939 0.697 CA 1.149 34 residues pruned to eliminate duplicates Z: 15 9.024 2.024 0.246 0.758 0.786 0.571 CA 0.968 15 residues pruned to eliminate duplicates Z: 30 15.109 1.985 0.359 0.633 0.862 0.552 CA 1.066 30 residues pruned to eliminate duplicates Z: 27 22.615 2.080 0.531 0.739 1.000 0.846 CA 1.124 27 residues pruned to eliminate duplicates Z: 25 15.486 2.009 0.323 0.631 0.917 0.542 CA 1.148 25 residues pruned to eliminate duplicates Z: 33 18.601 2.011 0.504 0.618 0.938 0.625 CA 1.037 34 residues pruned to eliminate duplicates Z: 17 18.344 1.977 0.582 0.881 1.000 0.688 CA 1.062 17 residues pruned to eliminate duplicates Z: 33 19.838 1.982 0.489 0.640 1.000 0.562 CA 1.042 33 residues pruned to eliminate duplicates Z: 25 13.795 1.995 0.255 0.686 0.917 0.625 CA 1.034 25 residues pruned to eliminate duplicates Z: 47 23.396 2.059 0.471 0.657 0.891 0.587 CA 1.104 45 residues pruned to eliminate duplicates Z: 17 17.374 2.159 0.567 0.903 0.938 0.625 CA 0.977 17 residues pruned to eliminate duplicates Z: 48 27.778 2.062 0.470 0.637 0.936 0.553 CA 1.256 47 residues pruned to eliminate duplicates Z: 20 19.965 2.015 0.613 0.872 0.895 0.737 CA 1.148 20 residues pruned to eliminate duplicates Z: 31 17.809 2.001 0.468 0.631 0.933 0.667 CA 1.048 31 residues pruned to eliminate duplicates Z: 33 24.332 2.035 0.603 0.662 0.938 0.562 CA 1.210 33 residues pruned to eliminate duplicates Z: 16 17.382 2.033 0.561 0.740 0.933 0.600 CA 1.222 16 residues pruned to eliminate duplicates Z: 17 19.535 2.036 0.841 0.713 0.938 0.688 CA 1.146 17 residues pruned to eliminate duplicates Z: 15 22.120 2.102 0.757 0.792 1.000 0.786 CA 1.239 15 residues pruned to eliminate duplicates Z: 38 29.873 2.111 0.685 0.714 0.946 0.486 CA 1.203 39 residues pruned to eliminate duplicates Z: 15 18.250 2.088 0.922 0.863 0.857 0.429 CA 1.040 15 residues pruned to eliminate duplicates Z: 37 29.281 2.056 0.743 0.606 0.861 0.500 CA 1.430 36 residues pruned to eliminate duplicates Z: 19 18.934 2.059 0.706 0.743 1.000 0.556 CA 1.022 19 residues pruned to eliminate duplicates Z: 42 30.433 2.063 0.722 0.667 0.927 0.537 CA 1.237 41 residues pruned to eliminate duplicates Z: 13 15.196 2.079 0.674 0.743 0.917 0.667 CA 1.106 13 residues pruned to eliminate duplicates Z: 43 24.696 2.036 0.584 0.624 0.905 0.429 CA 1.162 43 residues pruned to eliminate duplicates Z: 18 15.585 2.096 0.434 0.549 0.882 0.529 CB 1.359 18 residues pruned to eliminate duplicates Z: 48 29.252 2.070 0.551 0.638 0.915 0.574 CA 1.277 48 residues pruned to eliminate duplicates Z: 36 24.452 2.055 0.614 0.643 0.943 0.457 CA 1.156 36 residues pruned to eliminate duplicates Z: 34 27.157 2.066 0.634 0.645 0.939 0.515 CA 1.302 34 residues pruned to eliminate duplicates Z: 20 13.384 1.968 0.543 0.504 0.895 0.368 CB 1.126 20 residues pruned to eliminate duplicates Z: 16 19.341 2.106 0.740 0.643 0.933 0.267 CA 1.278 16 residues pruned to eliminate duplicates Z: 41 30.147 2.038 0.692 0.661 0.925 0.550 CA 1.287 41 residues pruned to eliminate duplicates Z: 35 25.617 2.037 0.775 0.635 0.882 0.588 CA 1.213 35 residues pruned to eliminate duplicates Z: 44 26.793 2.069 0.632 0.606 0.884 0.512 CA 1.237 44 residues pruned to eliminate duplicates Z: 17 18.187 2.031 0.656 0.617 1.000 0.562 CA 1.210 17 residues pruned to eliminate duplicates Z: 49 27.502 2.058 0.541 0.644 0.896 0.396 CA 1.222 49 residues pruned to eliminate duplicates Z: 15 11.680 2.072 0.202 0.736 0.786 0.714 CA 1.291 15 residues pruned to eliminate duplicates Z: 26 13.428 1.879 0.462 0.461 0.800 0.280 CA 1.273 26 residues pruned to eliminate duplicates Z: 13 11.237 1.975 0.448 0.409 0.917 0.500 CA 1.361 13 residues pruned to eliminate duplicates Z: 14 11.906 1.912 0.517 0.463 0.846 0.615 CB 1.397 14 residues pruned to eliminate duplicates Z: 60 37.462 2.034 0.578 0.544 0.966 0.661 CA 1.507 61 residues pruned to eliminate duplicates Z: 13 12.114 1.944 0.696 0.435 0.917 0.667 CB 1.237 13 residues pruned to eliminate duplicates Z: 15 14.362 2.021 0.771 0.355 0.857 0.357 CA 1.464 15 residues pruned to eliminate duplicates Z: 17 13.097 1.963 0.694 0.304 0.875 0.438 CA 1.400 17 residues pruned to eliminate duplicates Z: 14 11.880 2.051 0.629 0.346 0.846 0.538 CB 1.378 14 residues pruned to eliminate duplicates Z: 29 18.681 2.046 0.720 0.340 0.857 0.536 CB 1.393 28 residues pruned to eliminate duplicates Z: 54 33.579 2.079 0.663 0.517 0.906 0.623 CB 1.449 55 residues pruned to eliminate duplicates Z: 54 44.357 2.116 0.745 0.597 0.962 0.698 CB 1.563 54 residues pruned to eliminate duplicates Z: 29 15.987 1.999 0.638 0.293 0.857 0.393 CB 1.357 29 residues pruned to eliminate duplicates Z: 17 10.395 1.927 0.503 0.316 0.875 0.438 CA 1.257 17 residues pruned to eliminate duplicates Z: 22 19.221 2.099 0.816 0.323 0.905 0.429 CB 1.478 22 residues pruned to eliminate duplicates Z: 29 13.770 1.996 0.549 0.306 0.821 0.357 CB 1.271 29 residues pruned to eliminate duplicates Z: 60 35.945 2.056 0.622 0.530 0.898 0.610 CA 1.517 60 residues pruned to eliminate duplicates Z: 56 38.866 2.081 0.606 0.566 0.945 0.600 CB 1.556 56 residues pruned to eliminate duplicates Z: 48 35.357 2.071 0.639 0.602 0.894 0.617 CB 1.543 48 residues pruned to eliminate duplicates Z: 54 32.656 2.073 0.528 0.515 0.887 0.547 CB 1.573 54 residues pruned to eliminate duplicates Z: 59 37.189 2.082 0.651 0.519 0.897 0.603 CA 1.555 59 residues pruned to eliminate duplicates Z: 61 35.602 2.043 0.631 0.528 0.867 0.667 CA 1.549 61 residues pruned to eliminate duplicates Z: 27 20.422 2.060 0.710 0.316 0.885 0.462 CB 1.576 27 residues pruned to eliminate duplicates Z: 31 19.532 2.053 0.543 0.330 0.900 0.533 CA 1.507 31 residues pruned to eliminate duplicates Z: 60 36.410 2.056 0.546 0.521 0.932 0.559 CB 1.567 60 residues pruned to eliminate duplicates Z: 61 38.988 2.067 0.638 0.523 0.933 0.600 CB 1.557 60 residues pruned to eliminate duplicates Z: 65 36.649 1.996 0.660 0.510 0.891 0.578 CB 1.537 65 residues pruned to eliminate duplicates Z: 57 37.795 2.077 0.595 0.537 0.929 0.679 CB 1.583 57 residues pruned to eliminate duplicates Z: 50 32.552 2.027 0.593 0.544 0.898 0.592 CB 1.536 50 residues pruned to eliminate duplicates Z: 38 31.175 2.009 0.464 0.690 0.946 0.676 CA 1.548 38 residues pruned to eliminate duplicates Z: 58 38.483 2.105 0.568 0.539 0.930 0.614 CA 1.598 60 residues pruned to eliminate duplicates Z: 61 35.326 2.051 0.499 0.537 0.900 0.633 CA 1.590 61 residues pruned to eliminate duplicates Z: 34 39.199 2.091 0.785 0.719 0.939 0.758 CA 1.596 34 residues pruned to eliminate duplicates Z: 37 30.749 2.044 0.620 0.647 0.972 0.722 CA 1.389 37 residues pruned to eliminate duplicates Z: 62 35.203 2.039 0.558 0.521 0.918 0.574 CB 1.514 61 residues pruned to eliminate duplicates Z: 45 29.026 2.016 0.587 0.494 0.932 0.659 CA 1.476 45 residues pruned to eliminate duplicates Z: 32 31.939 2.161 0.654 0.610 0.968 0.677 CA 1.495 32 residues pruned to eliminate duplicates Z: 49 34.827 2.082 0.587 0.558 0.938 0.667 CA 1.533 49 residues pruned to eliminate duplicates Z: 34 36.233 2.063 0.619 0.712 0.970 0.606 CB 1.608 34 residues pruned to eliminate duplicates Z: 32 30.344 2.063 0.608 0.627 0.935 0.839 CA 1.558 32 residues pruned to eliminate duplicates Z: 35 34.683 2.073 0.716 0.681 0.912 0.735 CA 1.553 35 residues pruned to eliminate duplicates Z: 60 31.274 2.015 0.594 0.491 0.881 0.559 CB 1.451 60 residues pruned to eliminate duplicates Z: 36 35.763 2.077 0.700 0.696 0.943 0.714 CA 1.518 36 residues pruned to eliminate duplicates Z: 48 36.912 2.081 0.636 0.598 0.915 0.617 CB 1.575 48 residues pruned to eliminate duplicates Z: 45 39.007 2.105 0.720 0.606 0.932 0.545 CB 1.576 45 residues pruned to eliminate duplicates Z: 27 34.566 2.109 0.735 0.742 1.000 0.462 CB 1.493 27 residues pruned to eliminate duplicates Z: 30 34.668 2.004 0.884 0.693 1.000 0.448 CB 1.430 29 residues pruned to eliminate duplicates Z: 15 21.522 1.850 0.928 0.883 0.857 0.357 CA 1.360 15 residues pruned to eliminate duplicates Z: 61 41.159 2.069 0.722 0.535 0.933 0.483 CB 1.544 61 residues pruned to eliminate duplicates Z: 23 36.767 2.069 0.736 0.910 1.000 0.409 CB 1.548 23 residues pruned to eliminate duplicates Z: 60 34.478 2.035 0.720 0.486 0.898 0.458 CB 1.448 60 residues pruned to eliminate duplicates Z: 37 39.895 2.093 0.857 0.667 0.917 0.528 CA 1.599 37 residues pruned to eliminate duplicates Z: 22 40.459 2.106 1.017 0.921 0.952 0.524 CB 1.536 22 residues pruned to eliminate duplicates Z: 38 40.761 2.075 0.874 0.632 0.946 0.405 CB 1.610 38 residues pruned to eliminate duplicates Z: 59 40.204 2.066 0.798 0.512 0.914 0.517 CA 1.538 59 residues pruned to eliminate duplicates Z: 38 31.586 1.986 0.747 0.620 0.892 0.324 CB 1.499 38 residues pruned to eliminate duplicates Z: 33 36.743 2.079 0.906 0.702 0.875 0.531 CB 1.558 33 residues pruned to eliminate duplicates Z: 40 31.824 1.993 0.715 0.605 0.923 0.436 CA 1.462 40 residues pruned to eliminate duplicates Z: 39 34.528 2.067 0.767 0.613 0.895 0.500 CA 1.540 39 residues pruned to eliminate duplicates Z: 11 14.463 1.925 0.925 0.581 0.900 0.700 CB 1.268 15 residues pruned to eliminate duplicates Z: 10 11.791 1.837 0.882 0.751 0.889 0.556 CA 1.022 11 residues pruned to eliminate duplicates Z: 10 14.055 1.817 0.899 0.829 1.000 0.667 CA 1.021 10 residues pruned to eliminate duplicates Z: 9 17.635 2.025 0.810 0.742 1.000 0.750 CA 1.369 9 residues pruned to eliminate duplicates Z: 11 11.398 1.930 0.715 0.589 0.800 0.600 CB 1.251 11 residues pruned to eliminate duplicates Z: 9 20.718 2.054 0.971 0.783 1.000 0.750 CB 1.410 9 residues pruned to eliminate duplicates Z: 6 4.169 1.622 0.360 0.336 1.000 0.600 CA 1.011 6 residues pruned to eliminate duplicates Z: 28 35.119 2.177 0.648 0.659 0.963 0.741 CA 1.688 35 residues pruned to eliminate duplicates Z: 6 3.444 1.665 0.300 0.240 0.800 0.600 CA 1.202 6 residues pruned to eliminate duplicates Z: 35 30.985 2.130 0.413 0.641 0.941 0.588 CA 1.644 35 residues pruned to eliminate duplicates Z: 31 32.555 2.166 0.578 0.678 0.967 0.667 CA 1.527 27 residues pruned to eliminate duplicates Z: 23 31.799 2.252 0.627 0.812 1.000 0.682 CA 1.411 24 residues pruned to eliminate duplicates Z: 20 24.917 2.174 0.363 0.883 1.000 0.737 CB 1.395 20 residues pruned to eliminate duplicates Z: 33 30.965 2.118 0.572 0.662 0.938 0.594 CA 1.509 33 residues pruned to eliminate duplicates Z: 35 38.164 2.180 0.617 0.651 0.971 0.559 CB 1.661 34 residues pruned to eliminate duplicates Z: 20 30.237 2.251 0.601 0.889 0.947 0.579 CB 1.462 20 residues pruned to eliminate duplicates Z: 30 34.993 2.220 0.636 0.688 0.966 0.655 CA 1.559 30 residues pruned to eliminate duplicates Z: 31 29.562 2.175 0.536 0.664 0.867 0.567 CA 1.602 31 residues pruned to eliminate duplicates Z: 31 34.332 2.178 0.579 0.646 1.000 0.567 CA 1.591 31 residues pruned to eliminate duplicates Z: 32 32.645 2.084 0.647 0.668 0.935 0.581 CB 1.564 32 residues pruned to eliminate duplicates Z: 33 34.425 2.105 0.675 0.640 0.969 0.594 CB 1.563 37 residues pruned to eliminate duplicates Z: 21 31.771 2.099 0.823 0.916 1.000 0.600 CB 1.311 21 residues pruned to eliminate duplicates Z: 27 35.589 2.243 0.639 0.654 0.962 0.500 CB 1.712 27 residues pruned to eliminate duplicates Z: 35 30.739 2.120 0.678 0.627 0.882 0.529 CA 1.490 35 residues pruned to eliminate duplicates Z: 17 21.802 2.205 0.681 0.784 0.812 0.438 CA 1.410 17 residues pruned to eliminate duplicates Z: 32 28.929 2.157 0.484 0.649 0.839 0.419 CA 1.684 32 residues pruned to eliminate duplicates Z: 34 35.952 2.099 0.728 0.617 1.000 0.515 CB 1.544 34 residues pruned to eliminate duplicates Z: 35 30.763 2.110 0.575 0.638 0.853 0.529 CA 1.635 35 residues pruned to eliminate duplicates Z: 35 34.104 2.155 0.584 0.646 0.912 0.559 CA 1.640 31 residues pruned to eliminate duplicates Z: 23 34.016 2.120 0.767 0.853 0.955 0.364 CB 1.499 23 residues pruned to eliminate duplicates Z: 30 36.532 2.166 0.689 0.717 0.931 0.379 CA 1.636 30 residues pruned to eliminate duplicates Z: 21 27.972 2.205 0.497 0.856 1.000 0.400 CA 1.397 21 residues pruned to eliminate duplicates Z: 23 17.468 2.003 0.521 0.367 0.909 0.545 CB 1.551 23 residues pruned to eliminate duplicates Z: 6 4.935 1.698 0.268 0.794 1.000 0.600 CA 0.792 5 residues pruned to eliminate duplicates Z: 8 6.565 1.612 0.370 0.533 1.000 0.857 CB 1.088 8 residues pruned to eliminate duplicates Z: 19 13.204 2.020 0.317 0.326 0.889 0.389 CB 1.594 19 residues pruned to eliminate duplicates Z: 12 15.001 2.029 0.556 0.423 0.909 0.545 CA 1.707 12 residues pruned to eliminate duplicates Z: 12 15.675 2.027 0.337 0.574 1.000 0.636 N 1.624 12 residues pruned to eliminate duplicates Z: 20 10.454 1.886 0.305 0.317 0.842 0.316 CB 1.416 20 residues pruned to eliminate duplicates Z: 25 13.576 1.868 0.490 0.290 0.833 0.417 CB 1.512 25 residues pruned to eliminate duplicates Z: 18 14.569 2.065 0.383 0.330 0.941 0.412 N 1.584 18 residues pruned to eliminate duplicates Z: 14 7.556 1.862 0.207 0.469 0.692 0.462 N 1.389 14 residues pruned to eliminate duplicates Z: 24 12.048 1.886 0.405 0.290 0.783 0.348 N 1.534 24 residues pruned to eliminate duplicates Z: 23 13.390 2.003 0.402 0.306 0.818 0.364 CB 1.541 23 residues pruned to eliminate duplicates Z: 24 12.323 1.981 0.368 0.288 0.826 0.391 CB 1.458 24 residues pruned to eliminate duplicates Z: 19 15.016 1.979 0.387 0.336 0.944 0.333 N 1.634 19 residues pruned to eliminate duplicates Z: 32 10.623 1.863 0.315 0.247 0.742 0.419 CB 1.406 31 residues pruned to eliminate duplicates Z: 6 5.983 1.843 0.476 0.379 0.800 0.400 CA 1.399 6 residues pruned to eliminate duplicates Z: 25 12.837 1.963 0.408 0.304 0.833 0.417 CB 1.414 25 residues pruned to eliminate duplicates Z: 13 5.111 1.763 0.246 0.198 0.833 0.333 CB 1.155 13 residues pruned to eliminate duplicates Z: 10 3.544 1.606 0.400 0.320 0.778 0.444 CB 0.823 10 residues pruned to eliminate duplicates Z: 17 6.677 1.942 0.350 0.125 0.750 0.375 CB 1.358 17 residues pruned to eliminate duplicates Z: 20 8.270 1.904 0.453 0.156 0.737 0.421 CB 1.419 29 residues pruned to eliminate duplicates Z: 7 2.871 1.584 0.161 0.425 0.833 0.167 CB 0.827 7 residues pruned to eliminate duplicates Z: 10 4.362 1.770 0.230 0.180 0.667 0.333 CB 1.472 Z: 8 5.251 1.628 0.869 0.306 0.714 0.143 N 1.133 7 residues pruned to eliminate duplicates Z: 7 8.057 1.900 0.495 0.529 0.833 0.167 CB 1.350 7 residues pruned to eliminate duplicates Z: 18 14.766 1.871 0.651 0.482 0.882 0.529 CB 1.338 19 residues pruned to eliminate duplicates Z: 6 11.281 1.878 0.369 0.709 1.000 0.400 CA 1.623 6 residues pruned to eliminate duplicates Z: 47 23.705 1.918 0.501 0.540 0.826 0.565 CB 1.413 47 residues pruned to eliminate duplicates Z: 19 9.524 1.850 0.365 0.419 0.833 0.500 CB 1.160 19 residues pruned to eliminate duplicates Z: 21 10.812 1.808 0.532 0.439 0.750 0.550 CB 1.239 19 residues pruned to eliminate duplicates Z: 9 7.556 1.868 0.617 0.530 0.625 0.625 CB 1.374 9 residues pruned to eliminate duplicates Z: 19 15.122 1.898 0.621 0.398 0.889 0.500 CB 1.452 20 residues pruned to eliminate duplicates Z: 6 6.873 1.920 1.013 0.688 0.600 0.400 CB 1.116 6 residues pruned to eliminate duplicates Z: 10 10.789 1.931 0.760 0.606 0.778 0.556 CB 1.231 10 residues pruned to eliminate duplicates Z: 11 7.429 1.825 0.656 0.469 0.800 0.300 CB 1.003 11 residues pruned to eliminate duplicates Z: 10 9.004 1.624 0.928 0.443 1.000 0.333 CB 1.017 10 residues pruned to eliminate duplicates Z: 20 13.867 2.064 0.263 0.448 0.842 0.474 CB 1.529 20 residues pruned to eliminate duplicates Z: 16 12.087 2.186 0.175 0.430 0.867 0.400 CB 1.507 16 residues pruned to eliminate duplicates Z: 15 11.224 2.218 0.139 0.463 0.786 0.571 CA 1.570 15 residues pruned to eliminate duplicates Z: 18 10.154 2.105 0.192 0.457 0.706 0.471 CB 1.453 18 residues pruned to eliminate duplicates Z: 17 12.778 2.141 0.281 0.469 0.875 0.500 CB 1.373 17 residues pruned to eliminate duplicates Z: 18 12.559 2.089 0.145 0.479 0.882 0.529 CB 1.474 18 residues pruned to eliminate duplicates Z: 18 11.720 2.108 0.291 0.426 0.765 0.412 CA 1.476 18 residues pruned to eliminate duplicates Z: 17 11.793 2.179 0.232 0.430 0.750 0.500 CB 1.573 17 residues pruned to eliminate duplicates Z: 31 17.034 2.072 0.345 0.405 0.767 0.533 CA 1.608 31 residues pruned to eliminate duplicates Z: 20 9.880 1.970 0.300 0.353 0.684 0.421 CB 1.518 20 residues pruned to eliminate duplicates Z: 18 9.656 2.084 0.190 0.407 0.765 0.412 CB 1.361 18 residues pruned to eliminate duplicates Z: 38 14.920 1.975 0.232 0.377 0.784 0.486 CB 1.467 46 residues pruned to eliminate duplicates Z: 36 17.756 2.033 0.340 0.379 0.771 0.486 CB 1.624 37 residues pruned to eliminate duplicates Z: 20 12.196 2.037 0.381 0.363 0.789 0.421 CB 1.461 20 residues pruned to eliminate duplicates Z: 22 12.806 2.162 0.423 0.308 0.714 0.476 CB 1.574 22 residues pruned to eliminate duplicates Z: 30 17.680 1.957 0.493 0.426 0.828 0.552 CB 1.466 30 residues pruned to eliminate duplicates Z: 24 10.774 1.980 0.437 0.321 0.696 0.435 CB 1.383 24 residues pruned to eliminate duplicates Z: 10 7.248 1.958 0.662 0.259 0.667 0.444 CA 1.467 10 residues pruned to eliminate duplicates Z: 10 6.322 1.911 0.525 0.261 0.667 0.444 CA 1.425 10 residues pruned to eliminate duplicates Z: 22 14.212 1.951 0.534 0.359 0.762 0.476 CB 1.584 22 residues pruned to eliminate duplicates Z: 19 11.730 1.960 0.306 0.347 0.889 0.722 CB 1.435 19 residues pruned to eliminate duplicates Z: 13 8.690 1.873 0.171 0.317 0.917 0.500 CB 1.527 13 residues pruned to eliminate duplicates Z: 14 9.993 1.868 0.405 0.294 0.846 0.615 CA 1.573 14 residues pruned to eliminate duplicates Z: 19 7.264 1.786 0.220 0.230 0.833 0.556 CA 1.293 19 residues pruned to eliminate duplicates Z: 15 8.388 1.951 0.487 0.227 0.643 0.214 CA 1.653 15 residues pruned to eliminate duplicates Z: 12 12.548 2.022 0.412 0.372 0.818 0.636 CA 1.857 12 residues pruned to eliminate duplicates Z: 8 10.098 1.941 0.744 0.471 0.857 0.714 CB 1.354 8 residues pruned to eliminate duplicates Z: 17 11.946 1.952 0.475 0.326 0.812 0.688 CB 1.545 17 residues pruned to eliminate duplicates Z: 22 7.282 1.784 0.270 0.256 0.810 0.524 CB 1.145 22 residues pruned to eliminate duplicates Z: 14 11.126 1.919 0.450 0.327 0.923 0.769 CA 1.453 14 residues pruned to eliminate duplicates Z: 25 8.407 1.775 0.427 0.187 0.792 0.458 CB 1.247 25 residues pruned to eliminate duplicates Z: 17 13.032 2.067 0.435 0.370 0.812 0.438 CB 1.554 17 residues pruned to eliminate duplicates Z: 24 13.552 2.001 0.376 0.374 0.783 0.739 CB 1.500 24 residues pruned to eliminate duplicates Z: 17 11.342 2.049 0.284 0.338 0.812 0.562 CB 1.582 17 residues pruned to eliminate duplicates Z: 32 17.935 2.011 0.498 0.335 0.806 0.677 CB 1.587 32 residues pruned to eliminate duplicates Z: 15 11.939 2.050 0.328 0.430 0.857 0.571 CA 1.470 15 residues pruned to eliminate duplicates Z: 19 14.213 1.975 0.495 0.413 0.833 0.556 CA 1.490 19 residues pruned to eliminate duplicates Z: 16 11.033 1.953 0.365 0.371 0.867 0.600 CB 1.416 16 residues pruned to eliminate duplicates Z: 15 11.882 2.103 0.467 0.382 0.786 0.500 CB 1.485 15 residues pruned to eliminate duplicates Z: 15 12.441 2.096 0.340 0.412 0.857 0.571 CB 1.515 15 residues pruned to eliminate duplicates Z: 16 13.329 2.087 0.336 0.405 0.867 0.600 CB 1.574 16 residues pruned to eliminate duplicates Z: 19 11.457 1.943 0.300 0.391 0.833 0.722 CA 1.440 19 residues pruned to eliminate duplicates Z: 16 10.432 2.077 0.267 0.390 0.733 0.600 CB 1.569 16 residues pruned to eliminate duplicates Z: 13 8.513 1.831 0.538 0.293 0.917 0.250 CA 1.201 Z: 16 10.155 1.844 0.505 0.320 0.800 0.400 CB 1.440 29 residues pruned to eliminate duplicates Z: 18 10.743 1.884 0.426 0.386 0.824 0.471 CB 1.329 18 residues pruned to eliminate duplicates Z: 6 5.157 1.764 0.061 0.504 1.000 0.400 CB 1.228 Z: 6 3.552 1.607 0.608 0.422 0.800 0.000 N 0.834 Z: 8 4.782 1.691 0.342 0.347 1.000 0.429 CB 0.940 Z: 9 12.009 1.947 0.683 0.447 1.000 0.375 CB 1.368 14 residues pruned to eliminate duplicates Z: 13 6.752 1.786 0.602 0.342 0.667 0.333 CB 1.214 13 residues pruned to eliminate duplicates Z: 10 9.896 1.969 0.671 0.418 0.889 0.444 CB 1.229 10 residues pruned to eliminate duplicates Z: 11 9.115 1.947 0.566 0.384 0.800 0.300 CB 1.336 11 residues pruned to eliminate duplicates Z: 11 7.813 1.851 0.428 0.352 0.800 0.300 CB 1.372 11 residues pruned to eliminate duplicates Z: 8 12.395 2.053 0.622 0.677 0.857 0.857 CA 1.395 8 residues pruned to eliminate duplicates Z: 9 14.984 2.205 0.425 0.718 0.875 0.750 CB 1.582 9 residues pruned to eliminate duplicates Z: 10 14.967 2.091 0.510 0.637 0.889 0.667 CA 1.563 10 residues pruned to eliminate duplicates Z: 7 17.480 2.226 0.839 0.809 1.000 1.000 CA 1.331 7 residues pruned to eliminate duplicates Z: 8 5.087 1.865 0.249 0.487 0.857 0.714 CB 0.976 7 residues pruned to eliminate duplicates 530 residues left after pruning, divided into chains as follows: A: 8 B: 18 C: 10 D: 7 E: 11 F: 8 G: 10 H: 14 I: 11 J: 133 K: 13 L: 11 M: 48 N: 61 O: 30 P: 33 Q: 19 R: 60 S: 9 T: 10 U: 6 CC for partial structure against native data = 18.88 % ------------------------------------------------------------------------------ Global autotracing cycle 13 = 0.300, Contrast = 0.412, Connect. = 0.679 for dens.mod. cycle 1 = 0.300, Contrast = 0.476, Connect. = 0.702 for dens.mod. cycle 2 = 0.300, Contrast = 0.549, Connect. = 0.737 for dens.mod. cycle 3 = 0.300, Contrast = 0.556, Connect. = 0.742 for dens.mod. cycle 4 = 0.300, Contrast = 0.564, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.569, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.573, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.575, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.577, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.577, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6855 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1211 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 19 25.550 2.125 0.678 0.807 0.944 0.611 CB 1.368 B: 18 19.170 2.000 0.445 0.590 1.000 0.706 CB 1.476 C: 22 33.185 2.141 0.569 0.865 0.952 0.762 CA 1.659 D: 17 14.605 2.211 0.181 0.465 0.875 0.625 CA 1.655 E: 12 9.800 2.122 0.178 0.347 0.909 0.545 CB 1.535 F: 19 14.780 1.929 0.484 0.474 0.889 0.611 CB 1.405 17 residues pruned to eliminate duplicates G: 23 39.857 2.096 0.703 0.916 1.000 0.864 CB 1.681 H: 20 37.412 2.209 0.706 0.884 1.000 0.737 CA 1.645 20 residues pruned to eliminate duplicates I: 22 40.091 2.234 0.567 0.894 1.000 0.810 CB 1.793 22 residues pruned to eliminate duplicates J: 20 22.712 2.151 0.385 0.916 0.947 0.737 CB 1.304 20 residues pruned to eliminate duplicates K: 14 15.969 1.974 0.441 0.591 1.000 0.692 CA 1.426 L: 32 27.316 2.049 0.394 0.663 0.935 0.645 CA 1.578 19 residues pruned to eliminate duplicates M: 12 17.471 2.086 0.543 0.845 1.000 0.909 CB 1.217 N: 13 8.130 1.766 0.598 0.344 0.833 0.500 CA 1.183 O: 22 33.447 2.168 0.559 0.842 0.952 0.476 CB 1.689 21 residues pruned to eliminate duplicates P: 24 19.276 2.048 0.516 0.539 0.913 0.478 CB 1.365 Q: 33 16.825 2.081 0.347 0.347 0.875 0.625 CA 1.431 R: 21 28.778 2.219 0.334 0.914 0.950 0.750 CA 1.618 22 residues pruned to eliminate duplicates S: 21 40.792 2.277 0.634 0.904 1.000 0.750 CB 1.747 21 residues pruned to eliminate duplicates T: 6 6.377 2.021 1.127 0.538 0.800 0.600 CB 0.799 U: 23 38.388 2.079 0.693 0.913 1.000 0.727 CB 1.646 23 residues pruned to eliminate duplicates V: 6 6.599 1.812 0.283 0.663 0.800 0.600 CB 1.364 6 residues pruned to eliminate duplicates W: 10 7.858 2.066 0.149 0.282 0.889 0.444 CA 1.587 10 residues pruned to eliminate duplicates X: 25 34.089 1.977 0.796 0.889 0.958 0.833 CB 1.472 24 residues pruned to eliminate duplicates Y: 19 33.517 2.289 0.512 0.898 0.944 0.611 CB 1.729 19 residues pruned to eliminate duplicates Z: 14 25.054 2.186 0.484 0.896 0.923 0.846 CB 1.662 14 residues pruned to eliminate duplicates Z: 19 30.354 2.006 0.558 0.909 1.000 0.889 CB 1.625 19 residues pruned to eliminate duplicates Z: 14 8.327 1.772 0.369 0.471 0.846 0.615 CB 1.159 Z: 17 13.434 2.166 0.267 0.437 0.812 0.562 CB 1.606 17 residues pruned to eliminate duplicates Z: 46 27.854 2.188 0.480 0.505 0.889 0.444 CB 1.435 36 residues pruned to eliminate duplicates Z: 26 15.885 1.997 0.382 0.678 0.960 0.720 CA 1.018 Z: 15 23.657 2.246 0.422 0.928 1.000 0.929 CB 1.386 15 residues pruned to eliminate duplicates Z: 9 16.340 2.055 0.436 0.900 1.000 0.875 CA 1.398 9 residues pruned to eliminate duplicates Z: 15 7.857 1.924 0.185 0.450 0.929 0.571 CA 1.044 15 residues pruned to eliminate duplicates Z: 10 15.864 2.024 0.607 0.823 0.889 0.667 CA 1.383 10 residues pruned to eliminate duplicates Z: 11 11.333 1.743 0.632 0.482 1.000 0.400 CA 1.284 13 residues pruned to eliminate duplicates Z: 23 36.217 2.165 0.659 0.860 0.909 0.500 CB 1.740 23 residues pruned to eliminate duplicates Z: 11 16.622 2.048 0.479 0.789 0.800 0.700 CA 1.682 16 residues pruned to eliminate duplicates Z: 15 28.599 2.347 0.538 0.915 1.000 0.643 CB 1.497 25 residues pruned to eliminate duplicates Z: 11 22.418 2.182 0.605 0.861 1.000 0.500 CB 1.488 12 residues pruned to eliminate duplicates Z: 13 17.416 1.805 0.997 0.665 0.833 0.500 N 1.436 10 residues pruned to eliminate duplicates Z: 18 17.721 2.068 0.380 0.520 0.941 0.706 N 1.569 18 residues pruned to eliminate duplicates Z: 21 33.037 2.089 0.583 0.924 1.000 0.750 CB 1.569 21 residues pruned to eliminate duplicates Z: 12 15.475 2.015 0.500 0.770 0.909 0.455 CA 1.337 12 residues pruned to eliminate duplicates Z: 18 26.291 2.111 0.483 0.865 0.941 0.588 CB 1.586 18 residues pruned to eliminate duplicates Z: 25 20.543 2.178 0.408 0.516 0.917 0.542 CB 1.468 23 residues pruned to eliminate duplicates Z: 22 29.959 2.168 0.439 0.884 0.952 0.381 CB 1.590 22 residues pruned to eliminate duplicates Z: 18 30.308 2.199 0.815 0.884 0.824 0.588 CB 1.616 18 residues pruned to eliminate duplicates Z: 15 16.347 1.990 0.982 0.842 0.857 0.571 CA 0.963 11 residues pruned to eliminate duplicates Z: 15 8.316 1.747 0.613 0.266 0.786 0.214 N 1.310 15 residues pruned to eliminate duplicates Z: 8 10.459 1.967 0.512 0.549 0.857 0.714 CA 1.478 Z: 16 12.762 1.987 0.220 0.549 0.933 0.533 CB 1.389 Z: 12 15.249 2.190 0.046 0.872 1.000 0.818 CB 1.463 12 residues pruned to eliminate duplicates Z: 16 13.904 1.814 0.891 0.447 0.800 0.467 CA 1.382 16 residues pruned to eliminate duplicates Z: 16 27.775 2.326 0.511 0.920 1.000 0.800 CB 1.437 16 residues pruned to eliminate duplicates Z: 14 8.992 1.845 0.320 0.337 0.923 0.385 CB 1.326 Z: 14 20.921 2.209 0.584 0.878 0.769 0.615 CB 1.564 14 residues pruned to eliminate duplicates Z: 15 28.615 2.204 0.764 0.910 0.857 0.857 CB 1.627 15 residues pruned to eliminate duplicates Z: 6 7.422 1.966 0.327 0.323 1.000 0.800 C 1.547 Z: 22 32.059 2.208 0.364 0.915 1.000 0.810 CA 1.641 22 residues pruned to eliminate duplicates Z: 16 17.989 1.975 1.014 0.864 0.867 0.333 CB 0.988 16 residues pruned to eliminate duplicates Z: 10 9.571 1.922 0.083 0.610 1.000 0.667 CB 1.381 Z: 21 32.556 2.093 0.656 0.911 1.000 0.750 CB 1.488 21 residues pruned to eliminate duplicates Z: 12 15.360 1.989 0.359 0.816 0.909 0.545 CB 1.432 12 residues pruned to eliminate duplicates Z: 18 28.789 2.189 0.678 0.879 0.941 0.647 CB 1.464 18 residues pruned to eliminate duplicates Z: 9 15.989 1.891 0.591 0.875 1.000 0.750 CA 1.366 Z: 22 39.140 2.188 0.592 0.906 1.000 0.762 CB 1.744 22 residues pruned to eliminate duplicates Z: 15 8.925 1.835 0.270 0.397 0.857 0.500 CB 1.331 15 residues pruned to eliminate duplicates Z: 9 8.728 2.035 0.143 0.498 0.875 0.250 CB 1.519 Z: 26 14.459 1.952 0.297 0.500 0.960 0.560 CB 1.190 26 residues pruned to eliminate duplicates Z: 20 11.352 2.067 0.174 0.346 0.842 0.526 CB 1.506 17 residues pruned to eliminate duplicates Z: 19 39.003 2.217 1.047 0.927 1.000 0.722 CB 1.420 22 residues pruned to eliminate duplicates Z: 23 34.478 2.064 0.653 0.909 0.955 0.500 CB 1.601 23 residues pruned to eliminate duplicates Z: 10 15.569 2.105 0.561 0.848 0.778 0.667 CA 1.505 10 residues pruned to eliminate duplicates Z: 18 19.949 2.243 0.144 0.863 1.000 0.765 CB 1.383 17 residues pruned to eliminate duplicates Z: 11 8.292 1.652 0.441 0.408 0.900 0.400 CB 1.348 Z: 15 15.660 2.021 0.541 0.833 0.929 0.643 CA 1.085 15 residues pruned to eliminate duplicates Z: 13 11.776 1.887 0.440 0.348 0.917 0.500 CB 1.610 6 residues pruned to eliminate duplicates Z: 20 14.639 2.080 0.627 0.325 0.789 0.368 CA 1.524 4 residues pruned to eliminate duplicates Z: 12 16.546 2.047 0.569 0.863 1.000 0.636 CA 1.140 12 residues pruned to eliminate duplicates Z: 13 6.526 1.754 0.561 0.315 0.667 0.417 CA 1.266 13 residues pruned to eliminate duplicates Z: 10 11.959 1.880 0.579 0.432 1.000 0.556 CA 1.441 Z: 18 13.620 2.045 0.541 0.408 0.765 0.588 CA 1.509 18 residues pruned to eliminate duplicates Z: 12 18.119 1.953 0.716 0.819 0.909 0.545 CA 1.359 11 residues pruned to eliminate duplicates Z: 12 18.028 2.172 0.572 0.481 1.000 0.636 CA 1.622 12 residues pruned to eliminate duplicates Z: 20 29.032 2.218 0.465 0.879 1.000 0.526 CB 1.486 19 residues pruned to eliminate duplicates Z: 26 14.533 1.994 0.422 0.349 0.840 0.600 CB 1.437 14 residues pruned to eliminate duplicates Z: 19 19.777 2.110 0.585 0.911 0.889 0.722 CA 1.111 19 residues pruned to eliminate duplicates Z: 22 39.125 2.064 0.850 0.895 1.000 0.714 CA 1.603 22 residues pruned to eliminate duplicates Z: 9 5.144 1.799 0.211 0.365 0.750 0.500 CA 1.287 9 residues pruned to eliminate duplicates Z: 28 22.266 2.185 0.521 0.401 0.926 0.556 CA 1.546 33 residues pruned to eliminate duplicates Z: 17 5.277 1.683 0.344 0.204 0.688 0.375 CB 1.205 Z: 6 6.403 1.958 0.493 0.521 0.800 0.600 CA 1.199 Z: 9 9.374 1.847 0.376 0.601 1.000 0.875 CB 1.185 Z: 13 16.821 1.926 0.489 0.744 0.917 0.667 CA 1.485 13 residues pruned to eliminate duplicates Z: 20 10.633 1.867 0.325 0.447 0.947 0.421 CB 1.099 20 residues pruned to eliminate duplicates Z: 23 34.538 2.057 0.720 0.912 0.909 0.545 CB 1.621 23 residues pruned to eliminate duplicates Z: 8 5.785 1.835 0.359 0.272 0.857 0.571 CB 1.325 8 residues pruned to eliminate duplicates Z: 37 30.946 2.094 0.616 0.600 0.917 0.444 CB 1.511 28 residues pruned to eliminate duplicates Z: 10 10.795 1.947 0.277 0.727 0.778 0.556 CA 1.517 10 residues pruned to eliminate duplicates Z: 42 29.225 2.107 0.490 0.544 0.927 0.610 CA 1.503 33 residues pruned to eliminate duplicates Z: 6 6.778 1.829 0.119 0.459 1.000 0.400 CA 1.544 Z: 8 5.778 1.798 0.281 0.542 0.857 0.429 CA 1.061 6 residues pruned to eliminate duplicates Z: 23 36.911 2.052 0.714 0.888 1.000 0.727 CA 1.613 23 residues pruned to eliminate duplicates Z: 10 13.291 1.795 0.366 0.817 0.889 0.444 N 1.544 10 residues pruned to eliminate duplicates Z: 10 4.875 1.852 0.004 0.456 0.667 0.556 CB 1.372 Z: 17 25.996 2.062 0.849 0.857 0.938 0.562 CB 1.340 17 residues pruned to eliminate duplicates Z: 12 9.005 1.889 0.390 0.473 0.727 0.455 CB 1.461 9 residues pruned to eliminate duplicates Z: 18 17.837 2.039 0.311 0.561 1.000 0.706 CB 1.526 20 residues pruned to eliminate duplicates Z: 7 11.031 2.073 0.462 0.645 0.833 0.833 CA 1.558 7 residues pruned to eliminate duplicates Z: 11 5.689 1.856 0.475 0.292 0.800 0.400 CB 1.038 11 residues pruned to eliminate duplicates Z: 12 8.675 1.770 0.758 0.428 0.818 0.455 CA 1.107 12 residues pruned to eliminate duplicates Z: 12 18.491 2.188 0.392 0.837 0.909 0.727 CB 1.507 12 residues pruned to eliminate duplicates Z: 12 6.928 1.849 0.320 0.351 0.818 0.455 CB 1.229 12 residues pruned to eliminate duplicates Z: 13 12.898 2.198 0.163 0.557 0.917 0.750 CA 1.503 13 residues pruned to eliminate duplicates Z: 21 18.053 2.135 0.289 0.516 0.900 0.550 CB 1.603 21 residues pruned to eliminate duplicates Z: 27 23.903 2.248 0.631 0.320 0.923 0.385 CA 1.690 27 residues pruned to eliminate duplicates Z: 6 7.935 1.941 0.490 0.458 0.800 0.800 N 1.601 Z: 7 6.620 1.849 0.363 0.488 0.833 0.667 CA 1.302 7 residues pruned to eliminate duplicates Z: 15 29.155 2.199 0.825 0.864 0.857 0.286 CB 1.660 15 residues pruned to eliminate duplicates Z: 7 10.639 1.894 0.565 0.552 0.833 0.833 CA 1.672 6 residues pruned to eliminate duplicates Z: 22 12.630 2.020 0.462 0.337 0.762 0.381 CB 1.464 18 residues pruned to eliminate duplicates Z: 35 18.233 2.001 0.439 0.366 0.853 0.500 CB 1.470 35 residues pruned to eliminate duplicates Z: 33 16.771 2.083 0.365 0.368 0.781 0.500 CB 1.537 26 residues pruned to eliminate duplicates Z: 29 26.234 2.181 0.723 0.466 0.929 0.571 CB 1.470 29 residues pruned to eliminate duplicates Z: 8 8.223 1.729 0.087 0.793 1.000 0.714 CB 1.279 Z: 22 30.745 2.022 0.695 0.917 0.952 0.905 CB 1.451 22 residues pruned to eliminate duplicates Z: 28 29.725 2.113 0.428 0.679 0.963 0.815 CB 1.670 20 residues pruned to eliminate duplicates Z: 28 8.963 1.997 0.135 0.260 0.704 0.407 CB 1.423 28 residues pruned to eliminate duplicates Z: 6 3.530 1.494 -0.039 0.702 0.800 0.600 CA 1.144 6 residues pruned to eliminate duplicates Z: 9 9.437 1.811 0.027 0.708 1.000 0.625 CB 1.485 8 residues pruned to eliminate duplicates Z: 10 16.136 1.852 0.910 0.834 1.000 0.778 CA 1.140 9 residues pruned to eliminate duplicates Z: 29 18.842 2.132 0.464 0.383 0.857 0.643 CB 1.507 29 residues pruned to eliminate duplicates Z: 12 13.037 2.084 0.551 0.905 0.909 0.636 CA 0.952 12 residues pruned to eliminate duplicates Z: 18 17.705 2.060 0.606 0.874 0.941 0.824 CA 1.004 18 residues pruned to eliminate duplicates Z: 22 31.950 2.030 0.713 0.905 1.000 0.810 CA 1.427 22 residues pruned to eliminate duplicates Z: 13 12.797 2.074 0.385 0.756 0.833 0.667 CB 1.229 13 residues pruned to eliminate duplicates Z: 6 2.667 1.542 0.521 0.287 0.600 0.400 CA 1.077 Z: 64 36.160 2.051 0.496 0.517 0.921 0.651 CA 1.585 63 residues pruned to eliminate duplicates Z: 16 4.369 1.892 0.198 0.325 0.533 0.400 CB 1.131 16 residues pruned to eliminate duplicates Z: 18 9.947 2.010 0.202 0.316 0.882 0.529 CB 1.385 18 residues pruned to eliminate duplicates Z: 8 3.162 1.566 -0.103 0.673 0.714 0.714 C 1.016 Z: 11 11.849 1.807 0.497 0.878 0.900 0.900 CA 1.116 11 residues pruned to eliminate duplicates Z: 20 18.796 1.980 0.657 0.900 0.895 0.579 CA 1.050 20 residues pruned to eliminate duplicates Z: 14 8.335 1.760 0.441 0.310 0.846 0.538 CB 1.331 14 residues pruned to eliminate duplicates Z: 18 19.154 2.079 0.440 0.587 1.000 0.765 CB 1.428 18 residues pruned to eliminate duplicates Z: 17 44.248 2.275 1.073 0.925 1.000 0.688 CB 1.646 17 residues pruned to eliminate duplicates Z: 11 10.083 1.871 0.368 0.665 0.900 0.700 CB 1.189 11 residues pruned to eliminate duplicates Z: 15 10.184 2.110 0.176 0.485 0.786 0.500 CA 1.417 15 residues pruned to eliminate duplicates Z: 7 7.362 2.017 0.039 0.833 0.833 0.667 CB 1.291 7 residues pruned to eliminate duplicates Z: 10 8.817 1.824 0.417 0.484 0.889 0.444 CA 1.299 10 residues pruned to eliminate duplicates Z: 19 35.297 2.116 0.703 0.920 1.000 0.778 CB 1.626 19 residues pruned to eliminate duplicates Z: 18 6.291 1.739 0.358 0.283 0.647 0.353 CB 1.275 18 residues pruned to eliminate duplicates Z: 29 20.979 2.110 0.690 0.365 0.929 0.429 CB 1.384 29 residues pruned to eliminate duplicates Z: 9 18.249 2.230 0.350 0.852 1.000 0.875 CB 1.586 9 residues pruned to eliminate duplicates Z: 11 14.957 1.956 0.424 0.842 0.900 0.600 CA 1.407 11 residues pruned to eliminate duplicates Z: 20 33.461 2.214 0.709 0.919 1.000 0.579 CB 1.430 20 residues pruned to eliminate duplicates Z: 17 12.072 2.179 0.258 0.401 0.750 0.500 CA 1.629 17 residues pruned to eliminate duplicates Z: 6 4.456 1.699 0.478 0.485 0.800 0.600 CA 1.007 6 residues pruned to eliminate duplicates Z: 24 11.751 2.000 0.268 0.338 0.826 0.348 CB 1.396 23 residues pruned to eliminate duplicates Z: 17 19.874 2.045 0.476 0.874 0.938 0.812 CA 1.278 17 residues pruned to eliminate duplicates Z: 9 7.130 1.871 0.378 0.372 0.750 0.625 CA 1.495 9 residues pruned to eliminate duplicates Z: 9 7.133 1.802 -0.013 0.674 1.000 0.750 CB 1.207 9 residues pruned to eliminate duplicates Z: 19 19.285 2.219 0.724 0.412 0.944 0.722 CB 1.380 19 residues pruned to eliminate duplicates Z: 14 8.530 1.833 0.446 0.273 0.769 0.385 CA 1.501 Z: 16 12.366 1.854 0.332 0.500 0.933 0.600 CA 1.385 15 residues pruned to eliminate duplicates Z: 16 13.500 1.840 0.714 0.416 0.800 0.600 N 1.507 16 residues pruned to eliminate duplicates Z: 11 11.532 2.138 0.364 0.493 0.900 0.600 CB 1.400 8 residues pruned to eliminate duplicates Z: 12 16.170 2.112 0.207 0.856 1.000 1.000 CB 1.411 12 residues pruned to eliminate duplicates Z: 10 7.105 1.856 0.182 0.361 0.889 0.556 CA 1.411 10 residues pruned to eliminate duplicates Z: 8 18.314 1.954 0.659 0.808 1.000 0.286 CB 1.633 9 residues pruned to eliminate duplicates Z: 10 10.200 1.961 0.488 0.365 0.889 0.444 CA 1.514 10 residues pruned to eliminate duplicates Z: 16 14.248 1.847 0.544 0.518 0.933 0.400 CA 1.359 16 residues pruned to eliminate duplicates Z: 13 21.075 2.090 0.571 0.840 1.000 0.750 CB 1.382 11 residues pruned to eliminate duplicates Z: 11 9.526 1.830 0.286 0.408 0.900 0.800 CB 1.566 11 residues pruned to eliminate duplicates Z: 8 12.202 2.149 0.350 0.662 0.857 0.857 CB 1.596 10 residues pruned to eliminate duplicates Z: 14 6.410 1.616 0.495 0.250 0.769 0.538 CB 1.276 14 residues pruned to eliminate duplicates Z: 9 15.156 1.983 0.486 0.783 0.875 0.500 CA 1.620 8 residues pruned to eliminate duplicates Z: 22 41.151 2.118 0.858 0.907 1.000 0.476 CB 1.622 22 residues pruned to eliminate duplicates Z: 28 19.529 2.187 0.649 0.298 0.815 0.444 CB 1.602 28 residues pruned to eliminate duplicates Z: 6 5.013 1.317 0.567 0.784 1.000 0.800 O 0.846 Z: 7 3.620 1.593 0.036 0.578 0.833 0.500 CB 0.996 7 residues pruned to eliminate duplicates Z: 14 7.937 1.861 0.152 0.463 0.846 0.538 CA 1.259 11 residues pruned to eliminate duplicates Z: 15 6.621 1.642 0.606 0.451 0.643 0.571 CB 1.099 13 residues pruned to eliminate duplicates Z: 11 8.433 1.898 0.315 0.491 0.700 0.300 CA 1.541 11 residues pruned to eliminate duplicates Z: 28 21.073 2.108 0.664 0.357 0.926 0.370 CB 1.456 28 residues pruned to eliminate duplicates Z: 16 10.395 2.085 0.275 0.422 0.733 0.467 CB 1.493 16 residues pruned to eliminate duplicates Z: 11 12.505 2.109 -0.062 0.780 1.000 0.900 CA 1.562 11 residues pruned to eliminate duplicates Z: 15 8.357 1.737 0.232 0.449 0.929 0.643 CA 1.183 13 residues pruned to eliminate duplicates Z: 24 11.798 1.925 0.314 0.296 0.826 0.435 CB 1.479 23 residues pruned to eliminate duplicates Z: 14 7.019 1.658 0.306 0.317 0.846 0.538 CB 1.299 14 residues pruned to eliminate duplicates Z: 13 13.899 2.130 0.124 0.735 0.917 0.750 CB 1.481 13 residues pruned to eliminate duplicates Z: 23 9.646 1.921 0.253 0.275 0.818 0.591 CB 1.346 23 residues pruned to eliminate duplicates Z: 6 5.391 1.250 0.897 0.811 1.000 1.000 CB 0.775 6 residues pruned to eliminate duplicates Z: 17 7.962 2.143 0.010 0.353 0.750 0.438 CB 1.438 17 residues pruned to eliminate duplicates Z: 17 17.071 2.124 0.469 0.904 0.938 0.750 CA 1.039 17 residues pruned to eliminate duplicates Z: 11 9.743 1.897 0.603 0.420 0.800 0.500 CB 1.377 11 residues pruned to eliminate duplicates Z: 23 38.237 2.053 0.839 0.873 1.000 0.591 CB 1.573 23 residues pruned to eliminate duplicates Z: 13 14.482 2.079 0.430 0.633 0.833 0.667 CA 1.489 13 residues pruned to eliminate duplicates Z: 9 3.729 1.518 0.527 0.368 0.625 0.500 CB 1.047 9 residues pruned to eliminate duplicates Z: 9 11.848 1.905 0.801 0.645 0.875 0.500 CB 1.218 13 residues pruned to eliminate duplicates Z: 24 10.767 1.775 0.402 0.385 0.783 0.478 CB 1.303 24 residues pruned to eliminate duplicates Z: 14 7.528 1.902 0.109 0.329 1.000 0.385 CB 1.194 14 residues pruned to eliminate duplicates Z: 7 8.974 1.496 0.992 0.814 0.833 0.667 CA 1.123 7 residues pruned to eliminate duplicates Z: 7 6.020 1.746 0.735 0.422 0.833 0.500 CA 1.056 7 residues pruned to eliminate duplicates Z: 13 9.775 1.753 0.342 0.483 0.917 0.583 CB 1.332 6 residues pruned to eliminate duplicates Z: 16 10.141 1.850 0.408 0.457 0.733 0.467 CB 1.433 24 residues pruned to eliminate duplicates Z: 8 9.206 1.678 0.384 0.593 1.000 0.714 N 1.371 8 residues pruned to eliminate duplicates Z: 9 14.525 2.089 0.182 0.840 1.000 0.875 CB 1.552 9 residues pruned to eliminate duplicates Z: 10 11.162 2.021 0.301 0.520 1.000 0.444 CA 1.387 10 residues pruned to eliminate duplicates Z: 10 15.011 1.979 0.603 0.735 1.000 0.778 N 1.278 5 residues pruned to eliminate duplicates Z: 10 3.811 1.490 0.444 0.166 0.889 0.667 CA 0.998 10 residues pruned to eliminate duplicates Z: 10 11.768 1.737 0.881 0.782 0.889 0.667 CB 1.053 10 residues pruned to eliminate duplicates Z: 11 7.015 1.586 0.379 0.644 0.900 0.700 CB 0.985 Z: 21 26.024 2.171 0.433 0.794 1.000 0.750 CB 1.445 21 residues pruned to eliminate duplicates Z: 28 14.402 2.120 0.429 0.340 0.778 0.407 CB 1.400 28 residues pruned to eliminate duplicates Z: 11 8.967 1.940 0.306 0.461 0.800 0.600 CA 1.455 11 residues pruned to eliminate duplicates Z: 9 3.889 1.594 0.112 0.387 0.875 0.500 CB 1.000 Z: 36 31.309 2.020 0.468 0.644 0.943 0.629 CB 1.654 44 residues pruned to eliminate duplicates Z: 18 6.878 1.878 0.276 0.271 0.706 0.412 CB 1.279 18 residues pruned to eliminate duplicates Z: 6 3.192 1.765 -0.354 0.719 0.800 0.800 N 1.283 6 residues pruned to eliminate duplicates Z: 28 19.025 2.221 0.577 0.288 0.852 0.481 CA 1.557 28 residues pruned to eliminate duplicates Z: 14 15.940 2.003 0.250 0.689 1.000 0.846 CB 1.485 14 residues pruned to eliminate duplicates Z: 13 6.502 1.716 0.258 0.386 0.833 0.583 CA 1.177 13 residues pruned to eliminate duplicates Z: 8 2.627 1.633 0.016 0.297 0.714 0.429 CA 1.051 8 residues pruned to eliminate duplicates Z: 13 10.674 1.828 0.396 0.507 0.833 0.500 CA 1.438 13 residues pruned to eliminate duplicates Z: 61 26.871 2.129 0.475 0.307 0.883 0.483 CB 1.549 61 residues pruned to eliminate duplicates Z: 7 3.735 1.356 0.283 0.284 1.000 0.667 CA 1.118 Z: 6 6.153 1.852 0.894 0.879 1.000 1.000 CB 0.569 Z: 19 24.954 2.139 0.616 0.888 1.000 0.778 CB 1.226 19 residues pruned to eliminate duplicates Z: 18 9.891 1.719 0.485 0.352 0.824 0.412 CB 1.339 13 residues pruned to eliminate duplicates Z: 10 7.751 2.007 0.337 0.327 0.889 0.444 CA 1.310 10 residues pruned to eliminate duplicates Z: 11 4.766 1.929 0.363 0.338 0.600 0.400 CB 1.140 11 residues pruned to eliminate duplicates Z: 14 11.499 1.903 0.370 0.481 0.923 0.538 CB 1.351 14 residues pruned to eliminate duplicates Z: 27 18.459 2.108 0.666 0.307 0.923 0.500 CA 1.383 27 residues pruned to eliminate duplicates Z: 6 4.628 1.366 0.636 0.668 1.000 0.600 CB 0.793 Z: 9 8.299 2.055 0.213 0.520 0.750 0.500 CB 1.540 9 residues pruned to eliminate duplicates Z: 28 14.872 2.053 0.418 0.344 0.815 0.519 CB 1.429 28 residues pruned to eliminate duplicates Z: 16 22.607 2.011 1.002 0.898 0.933 0.600 CA 1.112 15 residues pruned to eliminate duplicates Z: 8 7.892 1.778 0.463 0.406 0.857 0.571 CB 1.477 8 residues pruned to eliminate duplicates Z: 13 9.957 1.827 0.412 0.446 0.833 0.667 CB 1.413 13 residues pruned to eliminate duplicates Z: 11 11.683 1.891 0.229 0.747 1.000 0.600 CA 1.274 11 residues pruned to eliminate duplicates Z: 39 21.773 2.025 0.548 0.387 0.842 0.605 CB 1.508 39 residues pruned to eliminate duplicates Z: 18 9.723 1.982 0.092 0.388 0.824 0.529 CB 1.489 18 residues pruned to eliminate duplicates Z: 35 25.802 1.917 0.542 0.606 0.941 0.559 CA 1.439 35 residues pruned to eliminate duplicates Z: 79 43.801 2.153 0.488 0.567 0.936 0.615 CB 1.550 79 residues pruned to eliminate duplicates Z: 15 22.138 2.086 0.684 0.871 0.929 0.643 CB 1.324 15 residues pruned to eliminate duplicates Z: 23 37.226 2.227 0.683 0.701 1.000 0.727 CB 1.764 22 residues pruned to eliminate duplicates Z: 10 11.933 1.903 0.444 0.850 0.778 0.556 CA 1.378 10 residues pruned to eliminate duplicates Z: 6 9.681 2.043 0.123 0.746 1.000 1.000 CB 1.516 6 residues pruned to eliminate duplicates Z: 10 6.517 1.765 0.658 0.388 0.667 0.444 CA 1.254 10 residues pruned to eliminate duplicates Z: 8 10.310 1.992 0.367 0.619 0.857 0.429 CA 1.492 7 residues pruned to eliminate duplicates Z: 23 41.304 2.096 0.846 0.915 1.000 0.682 CB 1.608 24 residues pruned to eliminate duplicates Z: 10 9.132 1.647 0.654 0.434 0.889 0.556 CA 1.346 10 residues pruned to eliminate duplicates Z: 12 9.969 1.828 0.476 0.473 0.818 0.455 CA 1.400 12 residues pruned to eliminate duplicates Z: 9 3.300 1.803 0.097 0.303 0.625 0.250 CB 1.176 9 residues pruned to eliminate duplicates Z: 17 20.110 2.034 0.843 0.928 0.938 0.250 CA 1.002 17 residues pruned to eliminate duplicates Z: 8 2.798 1.647 0.024 0.380 0.714 0.429 CB 0.997 Z: 6 6.186 1.444 0.777 0.770 1.000 0.600 CA 0.849 Z: 20 25.186 2.046 0.768 0.915 1.000 0.842 CA 1.129 20 residues pruned to eliminate duplicates Z: 9 7.302 1.416 0.729 0.681 0.875 0.500 CA 1.021 7 residues pruned to eliminate duplicates Z: 41 20.631 1.935 0.446 0.413 0.850 0.575 CA 1.503 41 residues pruned to eliminate duplicates Z: 6 2.375 1.213 0.074 0.421 1.000 0.400 CB 0.885 Z: 23 34.289 2.056 0.678 0.903 1.000 0.727 CB 1.510 23 residues pruned to eliminate duplicates 6 1.724 1.745 -0.239 0.602 0.800 0.600 CB 0.659 ? Z: 7 3.965 1.575 0.801 0.284 0.667 0.500 CA 1.091 Z: 8 5.840 1.589 0.757 0.581 0.857 0.714 CA 0.854 Z: 27 12.059 2.085 0.200 0.306 0.808 0.462 CB 1.452 27 residues pruned to eliminate duplicates Z: 9 17.280 2.209 0.432 0.712 1.000 0.750 CB 1.594 11 residues pruned to eliminate duplicates Z: 13 8.188 1.752 0.309 0.465 0.833 0.667 CA 1.282 13 residues pruned to eliminate duplicates Z: 28 22.932 2.193 0.573 0.397 0.889 0.593 CA 1.604 28 residues pruned to eliminate duplicates Z: 8 6.217 1.416 0.245 0.805 1.000 0.857 CB 1.022 8 residues pruned to eliminate duplicates Z: 8 2.453 1.656 0.259 0.247 0.714 0.286 CA 0.834 Z: 11 13.984 1.897 0.403 0.847 1.000 0.700 CA 1.233 11 residues pruned to eliminate duplicates Z: 8 5.810 1.836 -0.183 0.551 1.000 0.571 CB 1.394 8 residues pruned to eliminate duplicates Z: 12 17.888 2.025 0.775 0.839 1.000 0.727 CA 1.121 12 residues pruned to eliminate duplicates Z: 42 39.426 2.250 0.423 0.712 0.976 0.707 CA 1.626 42 residues pruned to eliminate duplicates Z: 10 8.904 1.624 0.876 0.568 0.778 0.556 CB 1.172 Z: 12 16.834 2.086 0.431 0.810 1.000 0.636 CB 1.298 12 residues pruned to eliminate duplicates Z: 22 33.515 2.259 0.600 0.712 1.000 0.952 CB 1.669 22 residues pruned to eliminate duplicates Z: 51 25.673 2.160 0.516 0.336 0.860 0.440 CA 1.542 52 residues pruned to eliminate duplicates Z: 14 12.933 2.002 0.192 0.660 1.000 0.769 CB 1.296 14 residues pruned to eliminate duplicates Z: 6 7.025 1.552 0.442 0.867 1.000 0.800 CA 1.027 5 residues pruned to eliminate duplicates Z: 6 2.771 1.604 0.336 0.459 0.600 0.400 CA 1.005 Z: 9 12.676 1.990 0.393 0.623 1.000 0.750 CA 1.441 Z: 8 5.272 1.710 0.158 0.598 0.857 0.571 CB 1.069 Z: 6 5.258 1.688 0.509 0.641 1.000 0.600 CB 0.809 6 residues pruned to eliminate duplicates Z: 8 9.434 1.906 0.179 0.880 1.000 0.857 CB 1.150 8 residues pruned to eliminate duplicates 6 1.896 1.402 -0.049 0.490 1.000 0.600 CB 0.643 ? Z: 7 7.089 1.801 0.566 0.666 0.833 0.500 CA 1.056 7 residues pruned to eliminate duplicates Z: 11 10.894 1.917 0.321 0.467 0.900 0.400 CA 1.564 9 residues pruned to eliminate duplicates Z: 13 20.704 2.104 0.501 0.686 1.000 0.750 N 1.596 13 residues pruned to eliminate duplicates Z: 38 37.774 2.203 0.551 0.678 0.973 0.622 CA 1.585 43 residues pruned to eliminate duplicates Z: 10 4.786 1.722 0.702 0.231 0.667 0.333 CA 1.117 10 residues pruned to eliminate duplicates Z: 34 19.717 1.870 0.607 0.674 0.939 0.667 CA 1.036 34 residues pruned to eliminate duplicates Z: 18 8.689 1.892 0.381 0.303 0.824 0.353 CB 1.220 18 residues pruned to eliminate duplicates Z: 7 2.172 1.777 0.652 0.549 0.667 0.667 CB 0.432 Z: 26 17.132 2.025 0.477 0.712 0.960 0.760 CA 0.984 26 residues pruned to eliminate duplicates Z: 18 12.484 2.024 0.587 0.259 0.824 0.471 CB 1.508 18 residues pruned to eliminate duplicates Z: 13 9.891 1.822 0.334 0.442 0.917 0.667 CB 1.360 9 residues pruned to eliminate duplicates Z: 28 24.578 1.934 0.580 0.536 0.926 0.630 CA 1.613 28 residues pruned to eliminate duplicates Z: 11 15.705 2.148 0.758 0.344 1.000 0.400 CB 1.559 11 residues pruned to eliminate duplicates Z: 15 13.012 1.951 0.365 0.411 1.000 0.714 CA 1.432 15 residues pruned to eliminate duplicates Z: 6 3.125 1.298 0.403 0.416 0.800 0.400 CB 1.048 Z: 16 7.693 1.650 0.495 0.442 0.867 0.600 CA 0.987 15 residues pruned to eliminate duplicates Z: 6 4.554 1.506 0.334 0.348 1.000 0.600 C 1.195 Z: 13 5.740 1.826 0.069 0.433 0.917 0.417 CB 0.992 13 residues pruned to eliminate duplicates Z: 49 34.450 2.087 0.593 0.578 0.896 0.625 CA 1.549 49 residues pruned to eliminate duplicates Z: 6 2.500 1.329 0.217 0.333 0.800 0.600 CA 1.038 6 residues pruned to eliminate duplicates Z: 8 4.433 2.005 0.248 0.291 0.714 0.429 CB 1.185 8 residues pruned to eliminate duplicates Z: 8 5.796 1.838 0.049 0.628 1.000 0.429 CB 1.007 Z: 6 2.276 1.574 0.482 0.287 0.800 0.400 N 0.693 Z: 17 10.280 2.047 0.286 0.391 0.750 0.500 CA 1.461 17 residues pruned to eliminate duplicates Z: 37 22.157 2.154 0.563 0.310 0.889 0.472 CA 1.524 37 residues pruned to eliminate duplicates Z: 12 5.503 1.733 0.085 0.408 0.909 0.364 CB 1.069 Z: 24 14.242 1.870 0.519 0.334 0.826 0.478 N 1.518 24 residues pruned to eliminate duplicates Z: 7 8.637 1.740 0.481 0.595 1.000 0.333 CB 1.250 Z: 46 29.917 2.088 0.628 0.680 0.933 0.711 CA 1.192 45 residues pruned to eliminate duplicates Z: 15 6.367 1.583 0.305 0.341 0.714 0.500 N 1.372 6 residues pruned to eliminate duplicates Z: 14 4.560 1.384 0.562 0.310 0.692 0.615 CB 1.044 Z: 18 19.741 1.906 0.747 0.868 0.882 0.647 CB 1.191 18 residues pruned to eliminate duplicates Z: 27 23.100 2.261 0.598 0.311 0.962 0.462 CA 1.608 27 residues pruned to eliminate duplicates Z: 11 17.287 1.796 0.792 0.786 1.000 0.500 CB 1.321 11 residues pruned to eliminate duplicates Z: 8 5.266 1.553 0.450 0.482 0.714 0.286 CA 1.260 Z: 6 2.005 1.447 0.142 0.297 0.800 0.800 CB 0.851 6 residues pruned to eliminate duplicates Z: 6 4.595 1.565 0.387 0.452 1.000 0.800 CB 0.994 Z: 6 2.506 1.283 0.237 0.366 0.800 0.400 CA 1.019 Z: 13 8.945 1.828 0.549 0.341 0.750 0.333 CB 1.444 13 residues pruned to eliminate duplicates 7 1.521 1.316 0.332 0.294 0.500 0.333 CB 0.892 ? Z: 16 8.231 1.999 0.335 0.391 0.667 0.467 CB 1.341 16 residues pruned to eliminate duplicates Z: 13 6.465 1.722 0.267 0.581 0.750 0.417 CB 1.055 13 residues pruned to eliminate duplicates Z: 8 2.172 1.207 0.323 0.389 0.857 0.571 CA 0.675 Z: 6 3.459 1.818 -0.256 0.583 0.800 0.600 CB 1.320 6 residues pruned to eliminate duplicates Z: 10 11.446 1.956 0.306 0.590 1.000 0.556 CA 1.370 Z: 6 3.847 1.503 0.309 0.637 1.000 0.800 CB 0.769 Z: 18 24.750 2.114 0.749 0.908 1.000 0.706 CA 1.153 18 residues pruned to eliminate duplicates Z: 7 3.910 1.764 0.238 0.698 1.000 0.833 CB 0.610 6 residues pruned to eliminate duplicates Z: 48 25.136 2.160 0.506 0.332 0.872 0.404 CA 1.553 48 residues pruned to eliminate duplicates Z: 37 25.840 2.111 0.549 0.540 0.917 0.528 CA 1.382 36 residues pruned to eliminate duplicates Z: 10 2.675 1.531 -0.021 0.239 0.889 0.667 CB 0.906 Z: 9 3.958 1.341 0.241 0.445 1.000 0.625 CA 0.889 Z: 8 2.825 1.401 0.279 0.347 0.857 0.571 CB 0.821 Z: 17 13.434 1.951 0.582 0.410 0.812 0.375 CB 1.472 17 residues pruned to eliminate duplicates Z: 18 13.703 2.072 0.434 0.335 0.882 0.471 CA 1.517 18 residues pruned to eliminate duplicates Z: 6 5.987 1.410 0.477 0.667 1.000 0.600 CA 1.101 Z: 9 3.165 1.524 0.401 0.411 0.625 0.500 N 0.920 Z: 10 7.395 1.728 0.696 0.563 0.778 0.444 CB 1.017 10 residues pruned to eliminate duplicates Z: 16 15.145 2.154 0.239 0.494 0.933 0.533 CA 1.580 17 residues pruned to eliminate duplicates Z: 6 2.935 1.564 -0.047 0.288 1.000 0.400 N 1.118 Z: 15 23.010 2.193 0.399 0.840 0.929 0.929 CA 1.610 15 residues pruned to eliminate duplicates Z: 8 15.379 1.918 0.913 0.818 1.000 0.857 CB 1.202 8 residues pruned to eliminate duplicates Z: 9 3.077 1.606 0.030 0.259 0.875 0.500 CB 0.990 Z: 17 8.635 1.628 0.523 0.345 0.812 0.500 CB 1.268 17 residues pruned to eliminate duplicates Z: 7 3.130 1.343 0.091 0.487 0.833 0.500 N 1.060 7 residues pruned to eliminate duplicates Z: 17 8.850 1.859 0.411 0.268 0.750 0.562 CB 1.463 17 residues pruned to eliminate duplicates Z: 18 12.794 2.142 0.553 0.309 0.824 0.471 CA 1.400 19 residues pruned to eliminate duplicates Z: 9 8.532 1.829 0.348 0.514 0.875 0.750 CB 1.380 11 residues pruned to eliminate duplicates Z: 9 4.479 1.669 0.575 0.158 0.750 0.250 CA 1.220 Z: 9 5.996 1.627 0.317 0.409 0.875 0.625 CA 1.244 9 residues pruned to eliminate duplicates Z: 22 34.364 2.157 0.761 0.896 1.000 0.524 CA 1.414 22 residues pruned to eliminate duplicates Z: 10 3.114 1.504 0.051 0.329 0.778 0.333 N 1.019 Z: 15 5.581 1.820 0.216 0.265 0.786 0.357 CB 1.121 15 residues pruned to eliminate duplicates Z: 7 5.400 1.682 0.031 0.471 1.000 0.500 CB 1.308 Z: 27 17.631 2.177 0.428 0.325 0.885 0.346 CB 1.525 27 residues pruned to eliminate duplicates Z: 15 12.607 1.863 0.761 0.794 1.000 0.429 CA 0.793 15 residues pruned to eliminate duplicates Z: 11 13.584 1.952 0.552 0.611 1.000 0.500 CA 1.276 11 residues pruned to eliminate duplicates Z: 6 4.146 1.434 0.816 0.584 0.800 0.600 N 0.821 6 residues pruned to eliminate duplicates Z: 6 3.406 1.503 0.667 0.389 0.800 0.400 CB 0.855 Z: 37 37.237 2.154 0.698 0.596 0.944 0.528 CB 1.639 37 residues pruned to eliminate duplicates Z: 14 9.708 1.891 0.382 0.365 0.846 0.615 CB 1.408 14 residues pruned to eliminate duplicates Z: 18 9.730 1.967 0.400 0.529 0.824 0.588 CA 1.011 18 residues pruned to eliminate duplicates Z: 6 6.475 1.931 -0.106 0.796 1.000 0.800 C 1.294 Z: 8 7.791 1.806 0.378 0.627 0.857 0.857 CA 1.225 8 residues pruned to eliminate duplicates Z: 22 22.029 1.959 0.678 0.859 0.857 0.667 CA 1.255 22 residues pruned to eliminate duplicates Z: 7 6.384 1.461 0.523 0.732 1.000 0.667 N 0.950 8 residues pruned to eliminate duplicates Z: 12 10.580 2.063 0.510 0.357 0.909 0.545 CA 1.314 12 residues pruned to eliminate duplicates Z: 7 2.944 1.726 0.292 0.527 0.500 0.333 CB 1.049 Z: 6 6.234 1.655 0.044 0.819 1.000 0.600 O 1.224 6 residues pruned to eliminate duplicates 8 1.973 1.653 0.063 0.071 0.571 0.143 O 1.300 ? Z: 58 23.049 2.105 0.403 0.283 0.912 0.526 CB 1.448 58 residues pruned to eliminate duplicates 6 1.218 1.377 0.769 0.284 0.400 0.400 N 0.714 ? 6 1.929 1.322 0.030 0.662 1.000 0.600 CB 0.545 ? Z: 42 38.988 2.104 0.556 0.676 0.976 0.683 CB 1.621 42 residues pruned to eliminate duplicates Z: 21 19.618 2.099 0.640 0.554 0.850 0.350 CB 1.423 21 residues pruned to eliminate duplicates Z: 11 3.313 1.465 0.008 0.218 0.800 0.500 CB 1.236 Z: 6 2.447 1.483 0.640 0.322 1.000 0.600 CB 0.548 6 1.368 1.307 0.181 0.286 0.800 0.400 C 0.631 ? Z: 28 14.414 1.928 0.358 0.333 0.852 0.556 CB 1.492 28 residues pruned to eliminate duplicates Z: 10 4.800 1.729 0.081 0.415 0.778 0.556 CB 1.203 5 residues pruned to eliminate duplicates Z: 11 4.469 1.534 0.228 0.319 0.800 0.400 CA 1.146 8 1.865 1.502 -0.062 0.149 0.714 0.571 CA 1.079 ? Z: 6 2.505 1.539 1.017 0.297 0.600 0.400 N 0.755 6 1.378 1.239 0.128 0.298 0.800 0.400 CA 0.690 ? Z: 13 18.010 1.946 0.686 0.923 0.833 0.667 CA 1.337 13 residues pruned to eliminate duplicates Z: 22 35.340 2.089 0.802 0.912 0.905 0.524 CA 1.604 22 residues pruned to eliminate duplicates Z: 8 10.939 2.208 0.526 0.371 0.857 0.571 CB 1.643 8 residues pruned to eliminate duplicates Z: 8 5.705 1.613 0.649 0.350 0.857 0.571 CB 1.113 6 residues pruned to eliminate duplicates 6 1.812 1.180 0.044 0.371 1.000 0.400 CB 0.756 ? Z: 61 26.357 2.128 0.452 0.309 0.850 0.467 CB 1.601 62 residues pruned to eliminate duplicates Z: 10 5.090 1.661 0.243 0.434 0.778 0.444 CB 1.131 10 residues pruned to eliminate duplicates Z: 12 6.790 2.045 0.234 0.281 0.636 0.455 N 1.632 12 residues pruned to eliminate duplicates Z: 22 15.077 1.895 0.449 0.398 0.810 0.571 CB 1.647 22 residues pruned to eliminate duplicates Z: 16 12.454 1.934 0.745 0.324 0.800 0.400 CB 1.445 16 residues pruned to eliminate duplicates Z: 10 4.104 1.328 0.472 0.339 0.889 0.333 C 0.938 Z: 8 2.311 1.678 0.026 0.219 0.714 0.429 CB 0.989 8 residues pruned to eliminate duplicates Z: 23 18.512 2.183 0.554 0.310 0.909 0.500 CB 1.580 23 residues pruned to eliminate duplicates Z: 9 7.553 1.771 0.119 0.609 0.875 0.625 CA 1.389 9 residues pruned to eliminate duplicates 6 1.523 1.339 0.009 0.299 0.600 0.600 C 1.052 ? Z: 8 6.325 1.710 0.159 0.484 0.857 0.571 CB 1.430 8 residues pruned to eliminate duplicates Z: 6 5.468 1.536 0.188 0.537 1.000 0.600 CA 1.291 6 1.496 1.168 0.192 0.295 0.800 0.600 CA 0.755 ? 6 1.913 1.659 0.085 0.596 0.800 0.800 CB 0.542 ? Z: 17 10.763 2.068 0.156 0.391 0.875 0.375 CB 1.444 17 residues pruned to eliminate duplicates Z: 6 2.700 1.476 0.262 0.463 0.600 0.400 CB 1.121 Z: 22 33.316 2.059 0.592 0.912 1.000 0.810 CB 1.570 22 residues pruned to eliminate duplicates Z: 19 12.935 2.036 0.250 0.578 0.889 0.611 CB 1.250 17 residues pruned to eliminate duplicates Z: 6 14.592 2.137 0.575 0.719 1.000 0.800 CA 1.591 Z: 33 14.829 1.953 0.437 0.280 0.781 0.469 CB 1.533 33 residues pruned to eliminate duplicates Z: 15 13.234 2.008 0.222 0.589 1.000 0.714 CB 1.324 15 residues pruned to eliminate duplicates Z: 6 2.660 1.452 0.304 0.298 1.000 0.800 N 0.787 Z: 7 2.680 1.211 0.365 0.335 0.833 0.500 CB 0.951 Z: 14 8.369 1.851 0.292 0.313 0.923 0.462 CB 1.293 14 residues pruned to eliminate duplicates Z: 8 2.285 1.559 0.539 0.350 0.714 0.571 CB 0.593 Z: 59 40.885 2.069 0.619 0.573 1.000 0.707 CA 1.494 61 residues pruned to eliminate duplicates Z: 10 11.119 1.812 0.460 0.745 1.000 0.889 CA 1.125 10 residues pruned to eliminate duplicates Z: 6 2.294 1.353 0.194 0.518 0.600 0.400 C 1.040 8 1.923 1.397 0.018 0.250 0.857 0.429 CB 0.795 ? Z: 6 5.655 1.737 0.404 0.374 1.000 1.000 CA 1.187 6 residues pruned to eliminate duplicates Z: 7 3.728 1.761 0.243 0.556 0.500 0.333 CB 1.317 7 residues pruned to eliminate duplicates Z: 9 10.293 1.784 0.216 0.704 1.000 0.750 CB 1.393 9 residues pruned to eliminate duplicates Z: 22 27.321 2.133 0.680 0.794 0.952 0.571 CB 1.351 22 residues pruned to eliminate duplicates Z: 8 4.261 1.787 0.175 0.364 0.857 0.429 CB 1.036 8 residues pruned to eliminate duplicates Z: 25 13.376 1.838 0.702 0.370 0.792 0.625 CB 1.268 25 residues pruned to eliminate duplicates Z: 28 16.657 1.926 0.276 0.531 0.926 0.630 CB 1.367 28 residues pruned to eliminate duplicates Z: 18 28.280 2.147 0.791 0.803 0.882 0.588 CA 1.552 18 residues pruned to eliminate duplicates Z: 6 4.213 1.655 0.425 0.286 0.800 0.800 N 1.272 6 residues pruned to eliminate duplicates Z: 9 9.284 1.803 0.230 0.693 1.000 0.625 CA 1.240 16 residues pruned to eliminate duplicates Z: 18 16.640 2.084 0.309 0.537 0.882 0.706 CB 1.617 18 residues pruned to eliminate duplicates 8 1.212 1.387 0.103 0.348 0.571 0.286 CB 0.618 ? Z: 9 2.619 1.171 0.489 0.334 1.000 0.250 CB 0.637 8 1.729 1.139 0.096 0.479 0.714 0.714 N 0.749 ? Z: 6 2.761 1.499 0.130 0.293 1.000 0.800 CA 0.919 Z: 6 6.072 1.590 0.703 0.565 0.800 0.400 CB 1.177 5 residues pruned to eliminate duplicates Z: 9 9.340 1.849 0.313 0.729 0.875 0.625 CA 1.265 9 residues pruned to eliminate duplicates Z: 6 3.060 1.476 -0.076 0.664 0.800 0.800 CB 1.078 6 residues pruned to eliminate duplicates Z: 35 19.772 2.114 0.650 0.281 0.824 0.412 CA 1.511 35 residues pruned to eliminate duplicates Z: 13 6.197 1.656 0.448 0.468 0.833 0.583 CB 0.926 13 residues pruned to eliminate duplicates Z: 9 6.411 1.754 0.108 0.383 1.000 0.250 CB 1.321 9 residues pruned to eliminate duplicates Z: 7 7.966 1.887 0.373 0.701 1.000 0.833 CA 1.045 7 residues pruned to eliminate duplicates Z: 6 4.194 1.631 0.372 0.348 0.800 0.600 CA 1.235 Z: 6 2.037 1.607 0.045 0.205 0.600 0.400 N 1.282 Z: 13 10.881 1.918 0.508 0.429 0.833 0.667 CB 1.404 12 residues pruned to eliminate duplicates Z: 8 2.625 1.457 0.475 0.213 0.571 0.429 N 1.133 8 residues pruned to eliminate duplicates Z: 7 4.226 1.550 -0.014 0.685 0.833 0.833 N 1.143 7 residues pruned to eliminate duplicates Z: 18 23.131 2.068 0.719 0.599 0.882 0.765 CB 1.628 18 residues pruned to eliminate duplicates Z: 7 4.806 1.783 -0.246 0.776 1.000 0.833 CB 1.144 Z: 10 3.909 1.679 0.708 0.329 0.667 0.222 CB 0.822 Z: 8 5.518 1.472 0.188 0.805 1.000 0.714 CB 0.914 8 residues pruned to eliminate duplicates Z: 11 8.766 1.756 0.385 0.389 0.900 0.500 CB 1.424 17 residues pruned to eliminate duplicates Z: 15 4.774 1.489 0.422 0.243 0.786 0.357 CB 1.032 15 residues pruned to eliminate duplicates 7 1.954 1.163 0.805 0.326 0.833 0.500 N 0.552 ? Z: 8 3.450 1.490 -0.120 0.507 0.857 0.571 CB 1.152 4 residues pruned to eliminate duplicates Z: 19 10.345 1.712 0.537 0.403 0.833 0.444 CB 1.232 19 residues pruned to eliminate duplicates Z: 8 5.553 1.721 0.119 0.515 0.857 0.857 CA 1.253 8 residues pruned to eliminate duplicates Z: 13 10.253 2.018 0.375 0.451 0.917 0.750 CB 1.224 13 residues pruned to eliminate duplicates Z: 22 13.537 1.892 0.324 0.472 0.905 0.667 CB 1.341 22 residues pruned to eliminate duplicates Z: 10 12.821 1.925 0.407 0.637 1.000 0.667 CA 1.388 10 residues pruned to eliminate duplicates Z: 23 10.762 1.726 0.416 0.371 0.864 0.545 CA 1.248 23 residues pruned to eliminate duplicates Z: 9 9.976 1.978 0.337 0.418 0.875 0.875 N 1.659 9 residues pruned to eliminate duplicates Z: 13 7.738 1.855 0.079 0.546 0.833 0.667 CB 1.280 13 residues pruned to eliminate duplicates Z: 9 4.852 1.048 1.107 0.525 0.875 0.375 O 0.867 Z: 9 2.399 1.441 0.158 0.345 0.625 0.125 CB 0.962 8 residues pruned to eliminate duplicates Z: 6 2.956 1.514 0.546 0.591 0.800 0.600 C 0.647 Z: 12 7.925 1.695 0.244 0.399 0.909 0.636 CA 1.386 12 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 4.204 1.889 0.211 0.386 1.000 0.800 CA 0.928 6 residues pruned to eliminate duplicates Z: 10 10.887 1.842 0.670 0.457 0.889 0.556 CA 1.388 10 residues pruned to eliminate duplicates Z: 11 12.329 1.789 0.527 0.495 1.000 0.500 CB 1.435 11 residues pruned to eliminate duplicates Z: 6 4.633 1.493 0.340 0.358 1.000 0.600 CB 1.207 6 residues pruned to eliminate duplicates Z: 21 12.858 1.917 0.324 0.428 0.900 0.600 CB 1.357 20 residues pruned to eliminate duplicates Z: 6 3.878 1.538 0.466 0.244 0.800 0.400 C 1.292 Z: 6 4.586 1.486 0.574 0.422 0.800 0.800 CA 1.189 6 residues pruned to eliminate duplicates Z: 19 18.750 2.048 0.403 0.566 1.000 0.778 CB 1.444 25 residues pruned to eliminate duplicates Z: 7 5.873 1.685 0.285 0.517 1.000 1.000 CB 1.089 7 residues pruned to eliminate duplicates Z: 19 17.959 2.051 0.387 0.548 1.000 0.667 CB 1.420 20 residues pruned to eliminate duplicates Z: 9 9.041 1.770 0.277 0.554 1.000 0.500 CA 1.341 18 residues pruned to eliminate duplicates Z: 6 3.146 1.740 0.390 0.136 0.800 0.200 CB 1.143 6 residues pruned to eliminate duplicates Z: 12 5.655 1.787 0.385 0.363 0.909 0.545 CB 0.878 9 residues pruned to eliminate duplicates Z: 7 3.874 1.889 0.031 0.279 0.833 0.667 CB 1.250 7 residues pruned to eliminate duplicates Z: 11 12.245 1.912 0.349 0.638 1.000 0.700 CA 1.319 16 residues pruned to eliminate duplicates Z: 6 7.256 1.865 0.617 0.394 0.800 0.600 CA 1.504 7 residues pruned to eliminate duplicates Z: 6 5.183 1.618 0.525 0.344 1.000 0.600 N 1.113 6 residues pruned to eliminate duplicates Z: 7 3.208 1.597 0.474 0.505 0.833 0.667 CA 0.665 7 residues pruned to eliminate duplicates Z: 14 15.301 1.984 0.596 0.514 0.923 0.615 CA 1.432 16 residues pruned to eliminate duplicates Z: 8 23.235 2.190 0.921 0.726 1.000 0.857 CA 1.703 9 residues pruned to eliminate duplicates Z: 10 14.218 2.047 0.514 0.577 0.889 0.556 CA 1.598 10 residues pruned to eliminate duplicates Z: 15 16.006 1.949 0.482 0.542 1.000 0.571 CA 1.421 15 residues pruned to eliminate duplicates Z: 15 16.634 1.963 0.536 0.570 1.000 0.571 CA 1.378 15 residues pruned to eliminate duplicates Z: 13 16.363 2.051 0.660 0.592 0.917 0.667 CA 1.385 13 residues pruned to eliminate duplicates Z: 6 3.107 1.591 0.329 0.352 0.800 0.200 CA 0.965 6 residues pruned to eliminate duplicates Z: 14 7.321 1.714 0.444 0.397 0.769 0.692 CA 1.189 14 residues pruned to eliminate duplicates Z: 11 9.176 1.917 0.378 0.521 0.800 0.600 CA 1.345 14 residues pruned to eliminate duplicates Z: 6 10.119 1.874 0.525 0.733 1.000 0.800 CA 1.284 6 residues pruned to eliminate duplicates Z: 13 10.530 1.892 0.467 0.519 0.917 0.667 CA 1.173 11 residues pruned to eliminate duplicates Z: 9 9.908 1.918 0.569 0.592 1.000 0.875 CA 1.066 9 residues pruned to eliminate duplicates Z: 12 10.960 1.907 0.496 0.511 0.909 0.636 CA 1.259 14 residues pruned to eliminate duplicates Z: 6 3.467 1.705 0.466 0.330 0.600 0.200 CA 1.245 6 residues pruned to eliminate duplicates Z: 28 22.469 2.223 0.589 0.365 0.889 0.481 CA 1.592 27 residues pruned to eliminate duplicates Z: 12 14.297 2.214 0.774 0.306 0.909 0.273 CA 1.499 12 residues pruned to eliminate duplicates Z: 30 18.345 2.163 0.513 0.268 0.897 0.310 CA 1.512 30 residues pruned to eliminate duplicates Z: 28 23.230 2.228 0.621 0.316 0.963 0.370 CB 1.576 28 residues pruned to eliminate duplicates Z: 34 20.321 2.100 0.596 0.263 0.909 0.364 CB 1.521 34 residues pruned to eliminate duplicates Z: 30 20.277 2.163 0.537 0.310 0.897 0.517 CB 1.559 30 residues pruned to eliminate duplicates Z: 29 21.353 2.172 0.580 0.319 0.929 0.536 CB 1.546 29 residues pruned to eliminate duplicates Z: 29 22.361 2.210 0.682 0.294 0.857 0.464 CA 1.671 29 residues pruned to eliminate duplicates Z: 29 22.800 2.184 0.624 0.353 0.929 0.464 CA 1.533 29 residues pruned to eliminate duplicates Z: 25 21.374 2.265 0.670 0.320 0.875 0.458 CA 1.607 25 residues pruned to eliminate duplicates Z: 29 21.166 2.222 0.579 0.311 0.893 0.393 CA 1.575 29 residues pruned to eliminate duplicates Z: 28 25.417 2.237 0.646 0.382 0.926 0.444 CA 1.627 28 residues pruned to eliminate duplicates Z: 27 23.753 2.237 0.617 0.335 0.962 0.462 CB 1.604 27 residues pruned to eliminate duplicates Z: 29 20.074 2.189 0.608 0.307 0.857 0.429 CA 1.558 29 residues pruned to eliminate duplicates Z: 26 20.926 2.270 0.612 0.261 0.960 0.400 CA 1.565 26 residues pruned to eliminate duplicates Z: 28 23.538 2.250 0.666 0.296 0.926 0.370 CA 1.639 28 residues pruned to eliminate duplicates Z: 14 14.220 2.207 0.442 0.326 0.846 0.462 CB 1.774 14 residues pruned to eliminate duplicates Z: 27 26.110 2.241 0.699 0.383 0.962 0.346 CA 1.583 28 residues pruned to eliminate duplicates Z: 15 13.782 2.075 0.622 0.396 0.929 0.643 CA 1.316 15 residues pruned to eliminate duplicates Z: 15 13.676 2.289 0.539 0.285 0.857 0.571 CA 1.542 15 residues pruned to eliminate duplicates Z: 28 18.197 2.199 0.559 0.250 0.889 0.407 CA 1.532 28 residues pruned to eliminate duplicates Z: 28 23.996 2.216 0.620 0.342 0.963 0.481 CA 1.587 28 residues pruned to eliminate duplicates Z: 56 26.415 2.194 0.446 0.307 0.891 0.473 CB 1.562 56 residues pruned to eliminate duplicates Z: 25 17.974 2.164 0.419 0.344 0.958 0.500 CA 1.477 25 residues pruned to eliminate duplicates Z: 42 18.947 2.074 0.350 0.348 0.829 0.512 CB 1.504 42 residues pruned to eliminate duplicates Z: 40 21.840 2.172 0.371 0.370 0.897 0.436 CB 1.504 40 residues pruned to eliminate duplicates Z: 30 14.161 2.060 0.266 0.359 0.828 0.517 CB 1.418 30 residues pruned to eliminate duplicates Z: 52 25.523 2.150 0.567 0.288 0.902 0.451 CA 1.492 52 residues pruned to eliminate duplicates Z: 30 14.470 2.062 0.260 0.328 0.828 0.517 CB 1.508 30 residues pruned to eliminate duplicates Z: 61 27.543 2.166 0.515 0.296 0.867 0.483 CA 1.571 61 residues pruned to eliminate duplicates Z: 40 24.196 2.204 0.664 0.300 0.897 0.487 CA 1.472 40 residues pruned to eliminate duplicates Z: 23 17.827 2.123 0.377 0.397 0.955 0.636 CA 1.519 23 residues pruned to eliminate duplicates Z: 61 25.113 2.152 0.407 0.326 0.833 0.467 CB 1.554 61 residues pruned to eliminate duplicates Z: 46 24.355 2.153 0.518 0.327 0.889 0.556 CA 1.510 46 residues pruned to eliminate duplicates Z: 23 14.481 2.090 0.375 0.397 0.818 0.636 CA 1.465 23 residues pruned to eliminate duplicates Z: 30 12.619 2.058 0.298 0.302 0.828 0.414 CB 1.322 30 residues pruned to eliminate duplicates Z: 24 12.300 2.068 0.408 0.339 0.826 0.478 CA 1.271 24 residues pruned to eliminate duplicates Z: 21 11.249 2.077 0.260 0.372 0.850 0.350 CB 1.296 21 residues pruned to eliminate duplicates Z: 16 8.982 2.103 0.155 0.328 0.800 0.400 CB 1.442 16 residues pruned to eliminate duplicates Z: 18 7.322 2.068 0.056 0.261 0.824 0.353 CB 1.298 18 residues pruned to eliminate duplicates Z: 35 15.712 2.041 0.356 0.311 0.824 0.529 CB 1.457 35 residues pruned to eliminate duplicates Z: 16 9.320 2.199 0.120 0.349 0.800 0.467 CB 1.439 16 residues pruned to eliminate duplicates Z: 17 8.419 2.131 0.111 0.301 0.750 0.312 CB 1.480 17 residues pruned to eliminate duplicates Z: 11 9.731 1.952 0.384 0.441 0.900 0.300 CA 1.345 11 residues pruned to eliminate duplicates Z: 44 20.189 2.117 0.387 0.318 0.837 0.488 CB 1.531 44 residues pruned to eliminate duplicates Z: 50 20.301 2.137 0.366 0.263 0.837 0.408 CB 1.556 50 residues pruned to eliminate duplicates Z: 12 5.944 2.205 0.187 0.296 0.636 0.364 CB 1.351 12 residues pruned to eliminate duplicates Z: 56 20.623 2.173 0.386 0.267 0.818 0.382 CB 1.472 56 residues pruned to eliminate duplicates Z: 16 8.731 2.167 0.059 0.347 0.800 0.600 CB 1.450 16 residues pruned to eliminate duplicates Z: 29 14.265 2.120 0.222 0.349 0.857 0.464 CB 1.430 29 residues pruned to eliminate duplicates Z: 64 21.422 2.097 0.341 0.261 0.841 0.397 CB 1.500 64 residues pruned to eliminate duplicates Z: 23 10.373 1.977 0.274 0.291 0.818 0.364 CB 1.357 23 residues pruned to eliminate duplicates Z: 62 23.274 2.116 0.456 0.289 0.836 0.393 CB 1.465 62 residues pruned to eliminate duplicates Z: 21 12.024 2.065 0.188 0.334 0.900 0.350 CB 1.460 21 residues pruned to eliminate duplicates 8 1.861 1.634 0.040 0.109 0.571 0.286 CB 1.189 ? Z: 55 32.590 2.168 0.454 0.569 0.852 0.537 CB 1.546 55 residues pruned to eliminate duplicates Z: 56 25.124 2.111 0.369 0.405 0.836 0.509 CB 1.548 56 residues pruned to eliminate duplicates Z: 6 3.510 1.601 0.754 0.335 0.800 0.600 CA 0.837 6 residues pruned to eliminate duplicates Z: 55 38.208 2.209 0.386 0.615 0.963 0.537 CA 1.581 55 residues pruned to eliminate duplicates Z: 44 35.333 2.245 0.341 0.681 0.953 0.535 CB 1.590 44 residues pruned to eliminate duplicates Z: 22 15.897 2.115 0.347 0.473 0.905 0.429 CA 1.382 22 residues pruned to eliminate duplicates Z: 42 38.022 2.259 0.525 0.646 0.902 0.585 CB 1.667 42 residues pruned to eliminate duplicates Z: 78 46.989 2.159 0.549 0.567 0.961 0.519 CB 1.561 78 residues pruned to eliminate duplicates Z: 70 44.890 2.248 0.497 0.612 0.913 0.565 CB 1.581 70 residues pruned to eliminate duplicates Z: 35 43.105 2.305 0.433 0.753 1.000 0.588 CA 1.786 35 residues pruned to eliminate duplicates Z: 37 33.613 2.190 0.490 0.622 0.944 0.528 CA 1.621 37 residues pruned to eliminate duplicates Z: 39 33.189 2.191 0.557 0.640 0.868 0.553 CA 1.594 39 residues pruned to eliminate duplicates Z: 44 35.462 2.213 0.421 0.683 0.907 0.605 CB 1.603 44 residues pruned to eliminate duplicates Z: 73 42.913 2.174 0.507 0.626 0.931 0.542 CB 1.473 73 residues pruned to eliminate duplicates Z: 65 35.593 2.178 0.463 0.559 0.859 0.547 CB 1.534 65 residues pruned to eliminate duplicates Z: 74 40.027 2.168 0.443 0.579 0.904 0.575 CB 1.535 74 residues pruned to eliminate duplicates Z: 39 36.910 2.233 0.527 0.662 0.974 0.658 CA 1.552 39 residues pruned to eliminate duplicates Z: 58 36.086 2.195 0.428 0.591 0.895 0.404 CB 1.562 58 residues pruned to eliminate duplicates Z: 71 47.759 2.245 0.528 0.627 0.943 0.586 CB 1.567 71 residues pruned to eliminate duplicates Z: 39 34.984 2.195 0.642 0.627 0.947 0.605 CA 1.474 39 residues pruned to eliminate duplicates Z: 36 41.312 2.262 0.565 0.731 0.943 0.629 CB 1.700 36 residues pruned to eliminate duplicates Z: 44 41.430 2.232 0.536 0.658 0.977 0.535 CA 1.629 44 residues pruned to eliminate duplicates Z: 45 42.034 2.223 0.582 0.661 0.977 0.545 CB 1.588 45 residues pruned to eliminate duplicates Z: 42 43.549 2.256 0.556 0.712 0.976 0.585 CA 1.638 42 residues pruned to eliminate duplicates Z: 43 37.767 2.225 0.414 0.674 0.976 0.619 CA 1.617 43 residues pruned to eliminate duplicates Z: 30 20.261 2.132 0.455 0.440 0.897 0.345 CB 1.439 30 residues pruned to eliminate duplicates Z: 60 39.776 2.154 0.500 0.627 0.932 0.441 CB 1.526 60 residues pruned to eliminate duplicates Z: 102 43.259 2.178 0.588 0.414 0.861 0.396 CB 1.582 102 residues pruned to eliminate duplicates Z: 56 38.289 2.209 0.564 0.579 0.927 0.455 CB 1.493 56 residues pruned to eliminate duplicates Z: 42 25.924 2.191 0.412 0.504 0.902 0.415 CB 1.444 42 residues pruned to eliminate duplicates Z: 25 23.775 2.227 0.496 0.632 0.875 0.292 CB 1.471 25 residues pruned to eliminate duplicates Z: 16 12.127 2.140 0.598 0.357 0.800 0.400 CB 1.335 16 residues pruned to eliminate duplicates Z: 37 40.038 2.257 0.670 0.705 0.944 0.500 CB 1.557 37 residues pruned to eliminate duplicates Z: 40 26.658 2.192 0.443 0.541 0.897 0.513 CB 1.444 40 residues pruned to eliminate duplicates Z: 51 25.280 2.168 0.429 0.487 0.840 0.540 CB 1.391 51 residues pruned to eliminate duplicates Z: 46 32.207 2.193 0.561 0.518 0.956 0.422 CB 1.443 46 residues pruned to eliminate duplicates Z: 78 44.037 2.163 0.587 0.551 0.896 0.455 CB 1.553 78 residues pruned to eliminate duplicates Z: 54 41.234 2.226 0.534 0.622 0.943 0.434 CB 1.567 54 residues pruned to eliminate duplicates Z: 79 45.066 2.177 0.551 0.575 0.897 0.462 CB 1.567 79 residues pruned to eliminate duplicates Z: 73 45.138 2.186 0.471 0.591 0.958 0.556 CB 1.581 73 residues pruned to eliminate duplicates Z: 30 24.159 2.191 0.575 0.470 0.897 0.483 CB 1.496 30 residues pruned to eliminate duplicates Z: 10 13.968 2.252 0.401 0.372 1.000 0.333 CB 1.692 10 residues pruned to eliminate duplicates Z: 31 21.405 2.109 0.490 0.427 0.900 0.600 CB 1.491 31 residues pruned to eliminate duplicates Z: 31 22.211 2.174 0.392 0.518 0.933 0.600 CB 1.410 31 residues pruned to eliminate duplicates Z: 11 12.305 2.205 0.419 0.332 1.000 0.300 CB 1.494 11 residues pruned to eliminate duplicates Z: 14 11.150 2.165 0.530 0.324 0.923 0.385 CB 1.227 14 residues pruned to eliminate duplicates Z: 27 18.732 2.209 0.396 0.448 0.923 0.346 CB 1.361 27 residues pruned to eliminate duplicates Z: 32 23.584 2.122 0.577 0.441 0.935 0.387 CB 1.438 32 residues pruned to eliminate duplicates Z: 70 48.987 2.245 0.634 0.593 0.942 0.536 CB 1.562 70 residues pruned to eliminate duplicates Z: 55 34.890 2.207 0.526 0.552 0.889 0.444 CB 1.507 55 residues pruned to eliminate duplicates Z: 44 27.573 2.119 0.651 0.450 0.907 0.419 CB 1.395 44 residues pruned to eliminate duplicates Z: 74 41.652 2.177 0.571 0.569 0.877 0.452 CB 1.521 74 residues pruned to eliminate duplicates Z: 107 41.409 2.133 0.469 0.486 0.877 0.491 CB 1.484 107 residues pruned to eliminate duplicates Z: 33 22.640 2.079 0.578 0.453 0.906 0.562 CB 1.412 33 residues pruned to eliminate duplicates Z: 63 44.875 2.198 0.707 0.581 0.935 0.403 CB 1.502 63 residues pruned to eliminate duplicates Z: 31 24.070 2.139 0.610 0.438 0.900 0.533 CB 1.512 31 residues pruned to eliminate duplicates Z: 31 24.526 2.094 0.690 0.454 0.900 0.433 CB 1.474 31 residues pruned to eliminate duplicates Z: 12 16.698 2.065 0.363 0.679 1.000 0.636 CB 1.518 12 residues pruned to eliminate duplicates Z: 32 23.148 2.140 0.551 0.455 0.903 0.484 CB 1.452 32 residues pruned to eliminate duplicates Z: 34 25.056 2.137 0.614 0.438 0.970 0.424 CB 1.392 34 residues pruned to eliminate duplicates Z: 15 19.389 2.050 0.593 0.624 0.857 0.571 CA 1.646 15 residues pruned to eliminate duplicates Z: 30 17.980 2.090 0.583 0.440 0.759 0.345 CB 1.415 30 residues pruned to eliminate duplicates Z: 46 29.978 2.206 0.584 0.498 0.889 0.489 CB 1.443 46 residues pruned to eliminate duplicates Z: 32 23.007 2.118 0.638 0.450 0.903 0.516 CB 1.388 32 residues pruned to eliminate duplicates Z: 30 20.347 2.159 0.565 0.428 0.793 0.448 CB 1.518 30 residues pruned to eliminate duplicates Z: 31 23.592 2.170 0.547 0.427 0.900 0.300 CB 1.537 31 residues pruned to eliminate duplicates Z: 11 16.788 1.906 0.682 0.798 1.000 0.400 CA 1.276 11 residues pruned to eliminate duplicates Z: 11 10.449 1.972 0.391 0.358 1.000 0.300 CB 1.404 11 residues pruned to eliminate duplicates 6 0.884 1.357 0.068 0.105 0.600 0.200 CA 0.751 ? Z: 7 5.045 1.809 0.025 0.503 1.000 0.000 CB 1.107 6 residues pruned to eliminate duplicates Z: 8 7.856 1.714 0.292 0.630 1.000 0.429 N 1.186 6 residues pruned to eliminate duplicates Z: 9 6.403 1.600 0.320 0.641 1.000 0.250 CB 0.939 9 residues pruned to eliminate duplicates Z: 14 9.362 1.913 0.228 0.415 0.923 0.385 CB 1.310 14 residues pruned to eliminate duplicates Z: 14 11.199 1.900 0.332 0.431 1.000 0.231 CB 1.318 14 residues pruned to eliminate duplicates Z: 13 3.471 1.724 0.215 0.262 0.750 0.500 CB 0.837 12 residues pruned to eliminate duplicates Z: 9 10.704 1.847 0.558 0.733 0.875 0.750 CA 1.220 11 residues pruned to eliminate duplicates Z: 8 8.252 1.776 0.260 0.653 1.000 0.714 CA 1.210 8 residues pruned to eliminate duplicates Z: 12 4.463 1.590 0.130 0.281 0.818 0.273 CA 1.171 12 residues pruned to eliminate duplicates Z: 10 4.526 1.899 -0.018 0.375 0.778 0.444 CA 1.188 10 residues pruned to eliminate duplicates Z: 22 10.272 1.721 0.491 0.493 0.857 0.429 CB 1.026 19 residues pruned to eliminate duplicates Z: 10 7.064 1.789 0.191 0.407 1.000 0.667 CA 1.219 10 residues pruned to eliminate duplicates Z: 8 2.889 1.738 0.315 0.071 0.714 0.143 CA 1.170 8 residues pruned to eliminate duplicates 6 1.009 1.058 0.450 0.478 1.000 0.400 C 0.301 ? Z: 6 6.668 1.590 0.726 0.497 1.000 0.600 CA 1.090 5 residues pruned to eliminate duplicates Z: 6 11.048 1.966 0.595 0.424 1.000 0.600 N 1.705 6 residues pruned to eliminate duplicates Z: 9 9.626 2.017 0.410 0.545 0.875 0.625 CA 1.308 9 residues pruned to eliminate duplicates Z: 13 7.459 1.966 0.190 0.428 0.833 0.667 CA 1.191 13 residues pruned to eliminate duplicates Z: 50 25.268 1.997 0.568 0.579 0.918 0.653 CA 1.163 50 residues pruned to eliminate duplicates Z: 17 6.938 1.861 0.337 0.298 0.750 0.562 CA 1.166 17 residues pruned to eliminate duplicates Z: 26 19.915 2.059 0.457 0.653 0.960 0.720 CA 1.200 26 residues pruned to eliminate duplicates Z: 33 19.184 2.042 0.355 0.647 0.938 0.594 CA 1.140 33 residues pruned to eliminate duplicates Z: 18 18.443 2.096 0.454 0.785 1.000 0.588 CA 1.142 18 residues pruned to eliminate duplicates Z: 19 26.832 2.140 0.818 0.909 1.000 0.722 CA 1.154 19 residues pruned to eliminate duplicates Z: 20 21.946 2.086 0.735 0.810 0.947 0.526 CA 1.120 20 residues pruned to eliminate duplicates Z: 23 10.325 1.938 0.443 0.617 0.773 0.500 CA 0.912 23 residues pruned to eliminate duplicates Z: 25 15.445 2.002 0.550 0.673 0.833 0.625 CA 1.039 25 residues pruned to eliminate duplicates Z: 46 21.110 2.000 0.478 0.542 0.889 0.556 CA 1.149 46 residues pruned to eliminate duplicates Z: 40 27.941 2.021 0.603 0.648 0.949 0.564 CA 1.268 42 residues pruned to eliminate duplicates Z: 21 17.597 1.873 0.824 0.871 0.950 0.550 CA 0.884 21 residues pruned to eliminate duplicates Z: 16 17.769 2.079 0.828 0.840 0.933 0.733 CA 0.965 16 residues pruned to eliminate duplicates Z: 34 23.948 1.972 0.597 0.602 0.939 0.576 CA 1.279 34 residues pruned to eliminate duplicates Z: 11 18.265 2.118 0.814 0.915 1.000 0.900 CA 1.063 11 residues pruned to eliminate duplicates Z: 31 23.722 2.084 0.503 0.700 0.933 0.633 CA 1.234 31 residues pruned to eliminate duplicates Z: 26 22.191 1.998 0.788 0.710 0.880 0.400 CA 1.166 26 residues pruned to eliminate duplicates Z: 22 14.941 1.996 0.739 0.688 0.857 0.381 CA 0.922 22 residues pruned to eliminate duplicates Z: 35 23.827 2.041 0.570 0.706 0.971 0.618 CA 1.089 35 residues pruned to eliminate duplicates Z: 17 17.711 1.982 0.860 0.694 1.000 0.562 CA 1.007 17 residues pruned to eliminate duplicates Z: 49 32.221 2.037 0.713 0.661 0.958 0.583 CA 1.198 47 residues pruned to eliminate duplicates Z: 21 24.950 2.052 0.898 0.885 0.950 0.550 CA 1.088 21 residues pruned to eliminate duplicates Z: 32 22.969 2.060 0.710 0.706 0.903 0.516 CA 1.075 32 residues pruned to eliminate duplicates Z: 34 22.087 2.005 0.574 0.674 0.939 0.636 CA 1.104 34 residues pruned to eliminate duplicates Z: 18 19.399 1.974 0.705 0.707 1.000 0.588 CA 1.158 18 residues pruned to eliminate duplicates Z: 43 24.156 2.048 0.616 0.642 0.881 0.548 CA 1.119 43 residues pruned to eliminate duplicates Z: 38 24.278 2.077 0.531 0.724 0.919 0.432 CA 1.116 38 residues pruned to eliminate duplicates Z: 33 24.231 2.068 0.627 0.677 0.938 0.562 CA 1.154 33 residues pruned to eliminate duplicates Z: 46 28.971 2.015 0.604 0.631 0.933 0.511 CA 1.265 46 residues pruned to eliminate duplicates Z: 58 27.445 2.040 0.529 0.559 0.895 0.509 CA 1.229 58 residues pruned to eliminate duplicates Z: 13 17.383 2.144 0.359 0.798 1.000 0.833 CB 1.327 13 residues pruned to eliminate duplicates Z: 35 19.739 1.963 0.630 0.594 0.882 0.500 CA 1.096 35 residues pruned to eliminate duplicates Z: 15 20.077 2.196 0.676 0.639 0.929 0.643 CB 1.378 15 residues pruned to eliminate duplicates Z: 23 13.917 1.937 0.465 0.550 0.864 0.364 CA 1.153 23 residues pruned to eliminate duplicates Z: 13 20.398 1.947 0.662 0.826 1.000 0.500 CA 1.373 13 residues pruned to eliminate duplicates Z: 17 14.851 2.011 0.596 0.604 0.875 0.625 CA 1.198 18 residues pruned to eliminate duplicates Z: 14 21.708 2.072 0.743 0.768 1.000 0.846 CA 1.314 14 residues pruned to eliminate duplicates Z: 16 19.198 2.112 0.786 0.646 1.000 0.467 CA 1.147 16 residues pruned to eliminate duplicates Z: 15 17.966 2.096 0.572 0.688 0.929 0.500 CA 1.321 15 residues pruned to eliminate duplicates Z: 43 26.694 2.034 0.567 0.642 0.929 0.476 CA 1.219 43 residues pruned to eliminate duplicates Z: 18 9.187 1.725 0.490 0.410 0.706 0.353 CB 1.349 18 residues pruned to eliminate duplicates Z: 17 12.760 1.933 0.530 0.379 0.875 0.312 CA 1.402 16 residues pruned to eliminate duplicates Z: 6 4.169 1.596 0.417 0.333 1.000 0.600 CB 0.989 6 residues pruned to eliminate duplicates Z: 29 17.084 2.012 0.560 0.318 0.821 0.393 CA 1.530 29 residues pruned to eliminate duplicates Z: 8 8.719 1.756 0.887 0.485 0.857 0.571 CB 1.178 12 residues pruned to eliminate duplicates Z: 6 4.336 1.596 1.092 0.207 0.800 0.400 CA 1.026 6 residues pruned to eliminate duplicates Z: 46 25.978 2.028 0.609 0.337 0.956 0.467 CB 1.483 46 residues pruned to eliminate duplicates Z: 38 25.948 2.111 0.715 0.382 0.865 0.514 CB 1.545 38 residues pruned to eliminate duplicates Z: 54 35.052 2.121 0.490 0.509 0.943 0.642 CA 1.601 54 residues pruned to eliminate duplicates Z: 62 39.109 2.079 0.576 0.525 0.918 0.623 CA 1.624 62 residues pruned to eliminate duplicates Z: 31 20.561 2.107 0.647 0.295 0.900 0.433 CA 1.511 31 residues pruned to eliminate duplicates Z: 59 39.985 2.090 0.650 0.542 0.914 0.638 CB 1.600 59 residues pruned to eliminate duplicates Z: 62 38.411 2.089 0.623 0.524 0.918 0.607 CA 1.543 62 residues pruned to eliminate duplicates Z: 65 38.934 2.054 0.608 0.488 0.938 0.578 CB 1.590 65 residues pruned to eliminate duplicates Z: 41 30.632 2.137 0.492 0.553 0.950 0.625 CA 1.519 41 residues pruned to eliminate duplicates Z: 64 35.879 2.095 0.634 0.514 0.825 0.524 CA 1.577 64 residues pruned to eliminate duplicates Z: 59 37.981 2.067 0.587 0.533 0.897 0.621 CB 1.641 59 residues pruned to eliminate duplicates Z: 64 34.842 2.047 0.617 0.525 0.857 0.587 CA 1.509 64 residues pruned to eliminate duplicates Z: 29 14.075 1.986 0.690 0.283 0.714 0.393 CB 1.416 25 residues pruned to eliminate duplicates Z: 6 3.288 1.476 0.203 0.475 1.000 0.800 CB 0.850 6 residues pruned to eliminate duplicates Z: 28 18.298 2.024 0.503 0.319 0.926 0.407 CA 1.527 28 residues pruned to eliminate duplicates Z: 8 5.832 1.450 0.542 0.502 1.000 0.857 CA 0.984 8 residues pruned to eliminate duplicates Z: 39 35.123 2.054 0.560 0.681 0.947 0.711 CA 1.589 39 residues pruned to eliminate duplicates Z: 49 36.344 2.111 0.664 0.576 0.875 0.625 CA 1.586 49 residues pruned to eliminate duplicates Z: 57 37.822 2.114 0.591 0.560 0.911 0.643 CA 1.557 57 residues pruned to eliminate duplicates Z: 35 32.097 2.109 0.630 0.669 0.882 0.676 CA 1.552 35 residues pruned to eliminate duplicates Z: 36 30.659 2.109 0.471 0.678 0.914 0.771 CA 1.551 36 residues pruned to eliminate duplicates Z: 38 31.413 2.038 0.629 0.659 0.892 0.784 CA 1.505 38 residues pruned to eliminate duplicates Z: 54 35.812 2.111 0.597 0.502 0.906 0.660 CB 1.608 54 residues pruned to eliminate duplicates Z: 62 38.633 2.081 0.655 0.511 0.885 0.623 CA 1.605 62 residues pruned to eliminate duplicates Z: 27 29.752 2.121 0.484 0.699 0.923 0.769 CA 1.675 27 residues pruned to eliminate duplicates Z: 61 35.335 2.118 0.554 0.524 0.850 0.600 CA 1.592 61 residues pruned to eliminate duplicates Z: 38 33.181 2.081 0.610 0.640 0.919 0.676 CA 1.555 38 residues pruned to eliminate duplicates Z: 32 31.198 2.088 0.634 0.683 0.935 0.677 CA 1.483 32 residues pruned to eliminate duplicates Z: 30 34.050 2.110 0.705 0.684 0.931 0.655 CA 1.595 30 residues pruned to eliminate duplicates Z: 42 26.371 2.046 0.547 0.539 0.829 0.341 CB 1.510 42 residues pruned to eliminate duplicates Z: 47 38.465 2.144 0.675 0.573 0.913 0.435 CB 1.613 47 residues pruned to eliminate duplicates Z: 39 33.998 2.035 0.816 0.652 0.842 0.447 CA 1.538 39 residues pruned to eliminate duplicates Z: 40 35.008 2.034 0.687 0.610 0.923 0.513 CA 1.595 40 residues pruned to eliminate duplicates Z: 30 30.321 2.039 0.891 0.655 0.828 0.379 CB 1.528 26 residues pruned to eliminate duplicates Z: 23 47.478 2.134 0.958 0.930 1.000 0.591 CB 1.694 27 residues pruned to eliminate duplicates Z: 24 37.551 2.046 0.872 0.879 0.913 0.478 CB 1.624 24 residues pruned to eliminate duplicates Z: 39 35.250 2.072 0.783 0.629 0.895 0.421 CA 1.532 39 residues pruned to eliminate duplicates Z: 40 35.265 2.079 0.787 0.620 0.821 0.333 CA 1.654 37 residues pruned to eliminate duplicates Z: 22 30.171 2.080 0.889 0.917 0.857 0.286 CB 1.380 22 residues pruned to eliminate duplicates Z: 64 40.314 2.080 0.661 0.516 0.921 0.460 CA 1.572 64 residues pruned to eliminate duplicates Z: 30 35.439 2.136 0.760 0.699 0.897 0.483 CB 1.628 30 residues pruned to eliminate duplicates Z: 15 9.550 1.912 0.529 0.449 0.643 0.357 CB 1.431 15 residues pruned to eliminate duplicates Z: 31 33.863 2.099 0.719 0.662 0.900 0.400 CB 1.638 30 residues pruned to eliminate duplicates Z: 7 3.696 1.438 0.411 0.516 0.833 0.833 N 0.878 7 residues pruned to eliminate duplicates Z: 22 42.370 2.281 0.849 0.716 1.000 0.857 CA 1.802 23 residues pruned to eliminate duplicates Z: 23 31.372 2.250 0.545 0.817 0.955 0.818 CA 1.530 23 residues pruned to eliminate duplicates Z: 36 35.221 2.136 0.710 0.660 0.943 0.771 CB 1.490 36 residues pruned to eliminate duplicates Z: 27 37.269 2.227 0.532 0.739 1.000 0.808 CB 1.728 27 residues pruned to eliminate duplicates Z: 35 34.474 2.154 0.540 0.648 0.941 0.618 CB 1.650 35 residues pruned to eliminate duplicates Z: 31 26.490 2.144 0.500 0.584 0.933 0.567 CB 1.486 31 residues pruned to eliminate duplicates Z: 35 31.193 2.142 0.481 0.627 0.941 0.559 CB 1.589 35 residues pruned to eliminate duplicates Z: 22 33.454 2.282 0.619 0.656 0.952 0.619 CB 1.795 22 residues pruned to eliminate duplicates Z: 27 28.429 2.115 0.746 0.670 0.885 0.423 CB 1.459 27 residues pruned to eliminate duplicates Z: 35 35.881 2.144 0.602 0.656 0.971 0.529 CA 1.597 35 residues pruned to eliminate duplicates Z: 35 31.653 2.155 0.501 0.653 0.941 0.529 CA 1.547 35 residues pruned to eliminate duplicates Z: 34 35.359 2.205 0.543 0.649 0.939 0.545 CA 1.675 34 residues pruned to eliminate duplicates Z: 35 39.247 2.192 0.661 0.639 0.941 0.559 CB 1.724 39 residues pruned to eliminate duplicates Z: 21 32.388 2.225 0.687 0.867 0.950 0.500 CB 1.486 22 residues pruned to eliminate duplicates Z: 21 32.086 2.212 0.679 0.867 1.000 0.550 CB 1.414 21 residues pruned to eliminate duplicates Z: 34 36.543 2.212 0.671 0.634 0.909 0.606 CA 1.670 34 residues pruned to eliminate duplicates Z: 35 31.494 2.094 0.609 0.595 0.941 0.559 CB 1.555 35 residues pruned to eliminate duplicates Z: 33 34.139 2.123 0.671 0.638 0.969 0.594 CA 1.544 33 residues pruned to eliminate duplicates Z: 30 29.597 2.147 0.594 0.674 0.862 0.655 CB 1.587 30 residues pruned to eliminate duplicates Z: 33 29.068 2.086 0.657 0.599 0.875 0.438 CB 1.546 33 residues pruned to eliminate duplicates Z: 32 31.075 2.146 0.671 0.650 0.839 0.484 CA 1.613 32 residues pruned to eliminate duplicates Z: 30 38.436 2.223 0.648 0.713 0.966 0.448 CA 1.663 30 residues pruned to eliminate duplicates Z: 33 31.265 2.057 0.702 0.638 0.875 0.406 CA 1.585 33 residues pruned to eliminate duplicates Z: 25 15.229 1.981 0.477 0.316 0.875 0.458 CB 1.488 25 residues pruned to eliminate duplicates Z: 6 6.629 1.840 0.587 0.785 1.000 0.800 CA 0.790 5 residues pruned to eliminate duplicates Z: 8 7.338 1.762 0.416 0.583 1.000 1.000 CA 1.026 8 residues pruned to eliminate duplicates Z: 29 15.032 1.954 0.374 0.370 0.857 0.464 CB 1.419 29 residues pruned to eliminate duplicates Z: 24 14.007 1.968 0.346 0.339 0.870 0.522 CB 1.511 24 residues pruned to eliminate duplicates Z: 28 14.148 1.967 0.409 0.336 0.852 0.407 CB 1.380 28 residues pruned to eliminate duplicates Z: 26 13.211 1.966 0.330 0.316 0.840 0.400 CB 1.474 26 residues pruned to eliminate duplicates Z: 26 10.588 1.905 0.289 0.281 0.800 0.480 N 1.379 26 residues pruned to eliminate duplicates Z: 28 11.219 1.947 0.325 0.298 0.741 0.407 CB 1.416 28 residues pruned to eliminate duplicates Z: 14 15.412 1.964 0.495 0.572 0.923 0.615 CB 1.472 14 residues pruned to eliminate duplicates Z: 6 2.995 1.584 0.320 0.314 0.600 0.400 C 1.310 6 residues pruned to eliminate duplicates Z: 21 9.983 1.784 0.527 0.259 0.750 0.400 N 1.439 21 residues pruned to eliminate duplicates Z: 23 12.077 1.961 0.522 0.315 0.727 0.455 CB 1.455 23 residues pruned to eliminate duplicates Z: 24 14.830 1.966 0.374 0.353 0.913 0.391 CB 1.470 24 residues pruned to eliminate duplicates Z: 17 6.111 1.780 0.252 0.132 0.812 0.438 CA 1.335 17 residues pruned to eliminate duplicates Z: 26 12.585 1.947 0.344 0.332 0.800 0.320 CB 1.446 26 residues pruned to eliminate duplicates Z: 14 4.664 1.846 0.159 0.150 0.692 0.462 CB 1.345 14 residues pruned to eliminate duplicates Z: 8 2.879 1.693 0.122 0.179 0.714 0.143 CB 1.181 8 residues pruned to eliminate duplicates Z: 30 16.182 1.896 0.609 0.350 0.828 0.414 CB 1.401 30 residues pruned to eliminate duplicates Z: 27 9.955 1.927 0.411 0.232 0.692 0.462 CB 1.416 27 residues pruned to eliminate duplicates Z: 9 4.834 1.886 0.493 0.250 0.750 0.375 CB 1.078 18 residues pruned to eliminate duplicates Z: 7 2.016 1.487 -0.015 0.213 1.000 0.333 N 0.788 7 residues pruned to eliminate duplicates Z: 6 2.385 1.661 -0.216 0.464 0.800 0.600 N 1.061 5 residues pruned to eliminate duplicates Z: 8 6.426 1.617 0.189 0.580 1.000 0.429 CB 1.169 8 residues pruned to eliminate duplicates Z: 15 11.009 1.894 0.402 0.422 0.857 0.571 CA 1.402 7 residues pruned to eliminate duplicates Z: 19 9.717 1.794 0.671 0.417 0.722 0.556 CB 1.153 24 residues pruned to eliminate duplicates Z: 61 33.241 2.015 0.550 0.559 0.850 0.617 CB 1.527 80 residues pruned to eliminate duplicates Z: 17 11.067 1.878 0.560 0.485 0.750 0.500 CB 1.278 Z: 16 11.014 1.898 0.539 0.493 0.800 0.667 CB 1.225 17 residues pruned to eliminate duplicates Z: 15 9.622 1.861 0.509 0.307 0.857 0.500 CA 1.324 12 residues pruned to eliminate duplicates Z: 17 6.720 1.830 0.537 0.301 0.750 0.375 CB 0.994 17 residues pruned to eliminate duplicates Z: 47 22.623 2.028 0.503 0.451 0.804 0.565 CB 1.430 47 residues pruned to eliminate duplicates Z: 17 10.890 1.880 0.517 0.414 0.812 0.562 CB 1.285 17 residues pruned to eliminate duplicates Z: 19 10.013 1.870 0.384 0.417 0.778 0.444 CB 1.279 19 residues pruned to eliminate duplicates Z: 63 34.146 1.957 0.675 0.549 0.871 0.565 CB 1.448 63 residues pruned to eliminate duplicates Z: 13 4.136 1.685 0.587 0.326 0.667 0.417 CB 0.811 13 residues pruned to eliminate duplicates Z: 13 8.245 1.869 0.407 0.424 1.000 0.500 CB 0.979 11 residues pruned to eliminate duplicates Z: 6 9.048 1.940 1.049 0.610 0.800 0.200 CB 1.146 6 residues pruned to eliminate duplicates Z: 20 12.723 2.046 0.132 0.477 0.842 0.368 CB 1.533 20 residues pruned to eliminate duplicates Z: 29 14.320 2.129 0.363 0.332 0.679 0.500 CB 1.653 28 residues pruned to eliminate duplicates Z: 6 2.897 2.036 -0.318 0.272 0.800 0.400 N 1.512 6 residues pruned to eliminate duplicates Z: 19 13.224 2.096 0.284 0.441 0.889 0.500 CB 1.386 18 residues pruned to eliminate duplicates 6 1.656 1.582 0.184 0.368 0.600 0.200 CA 0.759 ? Z: 7 6.899 1.588 0.282 0.540 1.000 0.667 CB 1.330 7 residues pruned to eliminate duplicates Z: 13 16.977 2.237 0.289 0.559 1.000 0.667 CA 1.605 13 residues pruned to eliminate duplicates Z: 36 15.727 2.061 0.338 0.325 0.743 0.486 CB 1.572 36 residues pruned to eliminate duplicates Z: 9 5.399 1.666 0.368 0.311 0.750 0.500 CB 1.378 9 residues pruned to eliminate duplicates Z: 42 18.461 1.943 0.339 0.395 0.829 0.683 CA 1.492 42 residues pruned to eliminate duplicates Z: 13 10.807 2.047 0.183 0.335 0.917 0.667 CB 1.683 13 residues pruned to eliminate duplicates Z: 20 12.118 2.029 0.354 0.279 0.737 0.526 N 1.764 20 residues pruned to eliminate duplicates Z: 21 10.095 1.805 0.306 0.251 0.900 0.400 CB 1.416 21 residues pruned to eliminate duplicates Z: 19 11.360 1.966 0.399 0.303 0.778 0.444 CB 1.560 19 residues pruned to eliminate duplicates Z: 34 15.241 1.931 0.269 0.333 0.848 0.576 CB 1.531 34 residues pruned to eliminate duplicates Z: 14 12.017 1.982 0.360 0.307 0.923 0.462 CA 1.660 14 residues pruned to eliminate duplicates Z: 18 12.222 1.906 0.382 0.298 0.882 0.529 CB 1.597 18 residues pruned to eliminate duplicates Z: 29 15.179 1.951 0.477 0.292 0.857 0.536 CB 1.466 29 residues pruned to eliminate duplicates Z: 20 9.419 1.835 0.351 0.281 0.842 0.421 CB 1.326 20 residues pruned to eliminate duplicates Z: 13 9.988 1.846 0.424 0.315 0.917 0.417 CA 1.469 13 residues pruned to eliminate duplicates Z: 27 12.444 1.931 0.411 0.270 0.731 0.423 CA 1.592 27 residues pruned to eliminate duplicates Z: 6 7.093 1.941 0.376 0.273 1.000 0.200 CB 1.536 6 residues pruned to eliminate duplicates Z: 13 7.865 1.924 0.269 0.342 0.833 0.667 CB 1.325 13 residues pruned to eliminate duplicates Z: 29 16.215 1.941 0.462 0.422 0.893 0.571 CB 1.312 29 residues pruned to eliminate duplicates Z: 6 3.794 1.624 0.787 0.346 1.000 1.000 CA 0.691 6 residues pruned to eliminate duplicates Z: 27 18.744 1.997 0.354 0.516 0.885 0.654 CB 1.513 27 residues pruned to eliminate duplicates Z: 27 19.913 2.034 0.354 0.492 0.962 0.538 CB 1.488 27 residues pruned to eliminate duplicates Z: 7 4.789 1.646 0.412 0.473 0.667 0.667 N 1.296 7 residues pruned to eliminate duplicates Z: 24 18.153 2.057 0.296 0.588 0.913 0.609 CB 1.430 24 residues pruned to eliminate duplicates Z: 19 14.581 1.946 0.328 0.558 0.944 0.778 CA 1.331 19 residues pruned to eliminate duplicates Z: 12 7.702 1.836 0.519 0.327 0.818 0.455 CB 1.231 7 residues pruned to eliminate duplicates Z: 6 4.752 1.524 1.307 0.470 0.600 0.200 C 1.038 6 residues pruned to eliminate duplicates Z: 14 7.542 1.731 0.478 0.340 0.846 0.462 CB 1.150 12 residues pruned to eliminate duplicates Z: 6 8.229 2.064 0.554 0.411 1.000 0.800 CB 1.259 14 residues pruned to eliminate duplicates Z: 15 7.904 1.829 0.726 0.286 0.786 0.214 CB 1.084 17 residues pruned to eliminate duplicates Z: 15 4.798 1.712 0.633 0.241 0.643 0.286 CB 0.962 15 residues pruned to eliminate duplicates Z: 12 6.586 1.820 0.478 0.330 0.818 0.364 CB 1.087 12 residues pruned to eliminate duplicates Z: 8 14.226 2.211 0.445 0.752 0.857 0.714 CB 1.568 8 residues pruned to eliminate duplicates Z: 6 3.322 1.501 0.311 0.452 1.000 0.800 CA 0.793 6 residues pruned to eliminate duplicates Z: 9 19.143 2.202 0.603 0.695 1.000 0.875 CA 1.604 10 residues pruned to eliminate duplicates Z: 6 3.320 1.734 -0.019 0.290 0.800 0.200 C 1.380 6 residues pruned to eliminate duplicates Z: 11 16.766 1.986 0.561 0.672 1.000 0.800 CA 1.459 9 residues pruned to eliminate duplicates Z: 10 16.802 1.842 0.991 0.826 1.000 0.556 CA 1.151 10 residues pruned to eliminate duplicates Z: 10 15.707 1.852 0.877 0.805 1.000 0.556 CB 1.154 10 residues pruned to eliminate duplicates Z: 10 15.508 1.808 0.842 0.829 1.000 0.667 CA 1.168 10 residues pruned to eliminate duplicates Z: 12 11.679 1.816 0.868 0.564 0.818 0.364 CB 1.193 12 residues pruned to eliminate duplicates 522 residues left after pruning, divided into chains as follows: A: 10 B: 9 C: 18 D: 13 E: 7 F: 13 G: 12 H: 133 I: 15 J: 10 K: 48 L: 63 M: 29 N: 34 O: 18 P: 62 Q: 11 R: 17 CC for partial structure against native data = 19.16 % ------------------------------------------------------------------------------ Global autotracing cycle 14 = 0.300, Contrast = 0.416, Connect. = 0.679 for dens.mod. cycle 1 = 0.300, Contrast = 0.479, Connect. = 0.702 for dens.mod. cycle 2 = 0.300, Contrast = 0.552, Connect. = 0.737 for dens.mod. cycle 3 = 0.300, Contrast = 0.558, Connect. = 0.742 for dens.mod. cycle 4 = 0.300, Contrast = 0.565, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.570, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.574, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.576, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.577, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.578, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6830 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1177 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 25.973 2.160 0.408 0.899 1.000 0.800 CA 1.364 B: 17 27.009 2.282 0.642 0.868 0.938 0.500 CB 1.405 17 residues pruned to eliminate duplicates C: 30 20.904 2.128 0.420 0.471 0.897 0.655 CB 1.475 D: 22 32.557 2.142 0.480 0.882 1.000 0.619 CA 1.622 E: 16 10.643 1.873 0.295 0.506 0.800 0.533 CB 1.408 F: 22 38.530 2.231 0.595 0.910 1.000 0.667 CB 1.676 22 residues pruned to eliminate duplicates G: 22 34.890 2.157 0.486 0.871 1.000 0.857 CA 1.733 22 residues pruned to eliminate duplicates H: 6 3.393 1.664 0.456 0.300 0.600 0.600 N 1.305 I: 18 17.450 2.069 0.324 0.593 0.941 0.765 CB 1.502 J: 16 14.510 1.885 0.414 0.471 0.933 0.533 N 1.550 K: 22 32.094 2.125 0.439 0.907 1.000 0.810 CA 1.627 22 residues pruned to eliminate duplicates L: 21 27.320 2.257 0.261 0.861 0.950 0.650 CB 1.660 21 residues pruned to eliminate duplicates M: 20 30.296 2.106 0.513 0.918 1.000 0.737 CB 1.539 N: 22 36.946 2.173 0.670 0.870 0.952 0.524 CB 1.703 22 residues pruned to eliminate duplicates O: 21 43.171 2.244 0.723 0.937 1.000 0.700 CB 1.737 22 residues pruned to eliminate duplicates P: 18 20.327 2.070 0.475 0.583 0.941 0.765 CB 1.584 18 residues pruned to eliminate duplicates Q: 29 28.814 2.136 0.385 0.715 1.000 0.750 CB 1.515 22 residues pruned to eliminate duplicates R: 13 19.059 2.158 0.386 0.849 1.000 0.667 CB 1.363 S: 16 35.987 2.277 0.677 0.900 1.000 0.867 CA 1.737 16 residues pruned to eliminate duplicates T: 21 43.026 2.279 0.704 0.884 1.000 0.550 CB 1.789 21 residues pruned to eliminate duplicates U: 20 35.240 2.294 0.717 0.923 0.895 0.421 CB 1.611 20 residues pruned to eliminate duplicates V: 18 15.875 2.158 0.396 0.526 0.824 0.647 CB 1.513 4 residues pruned to eliminate duplicates W: 19 10.399 1.926 0.154 0.391 0.889 0.500 CB 1.392 X: 22 30.388 2.203 0.274 0.898 1.000 0.762 CA 1.690 22 residues pruned to eliminate duplicates Y: 9 14.014 2.076 0.469 0.490 1.000 0.750 CB 1.641 Z: 9 9.827 1.951 0.881 0.408 0.875 0.625 CB 1.191 Z: 13 19.749 1.997 0.699 0.842 1.000 0.750 CA 1.253 12 residues pruned to eliminate duplicates Z: 29 15.239 2.069 0.319 0.355 0.857 0.464 CB 1.441 Z: 22 31.204 2.193 0.468 0.851 0.952 0.619 CA 1.643 22 residues pruned to eliminate duplicates Z: 23 32.478 2.127 0.596 0.821 0.909 0.500 CA 1.698 23 residues pruned to eliminate duplicates Z: 22 37.974 2.221 0.478 0.922 1.000 0.857 CA 1.776 22 residues pruned to eliminate duplicates Z: 20 21.207 1.969 0.636 0.883 0.895 0.526 CA 1.220 Z: 16 12.414 1.887 0.279 0.768 0.933 0.733 CB 1.123 16 residues pruned to eliminate duplicates Z: 15 23.001 2.264 0.221 0.903 1.000 0.857 CB 1.585 15 residues pruned to eliminate duplicates Z: 20 33.078 2.183 0.968 0.862 0.895 0.526 CB 1.450 20 residues pruned to eliminate duplicates Z: 21 30.026 2.238 0.635 0.852 1.000 0.600 CB 1.356 21 residues pruned to eliminate duplicates Z: 22 34.066 2.058 0.721 0.881 1.000 0.810 CB 1.520 20 residues pruned to eliminate duplicates Z: 9 13.093 1.947 0.374 0.629 1.000 0.500 CA 1.533 Z: 6 2.206 1.414 0.871 0.433 0.600 0.400 CB 0.666 Z: 21 7.187 1.681 0.208 0.286 0.800 0.500 CB 1.259 16 residues pruned to eliminate duplicates Z: 16 25.035 2.300 0.503 0.904 1.000 0.867 CB 1.332 16 residues pruned to eliminate duplicates Z: 15 10.821 1.875 0.441 0.352 0.857 0.429 CB 1.465 12 residues pruned to eliminate duplicates Z: 19 8.069 2.015 0.525 0.143 0.722 0.278 CA 1.332 8 residues pruned to eliminate duplicates Z: 8 9.640 2.103 0.365 0.562 1.000 0.714 CA 1.194 Z: 14 15.840 2.089 0.467 0.494 0.923 0.385 CA 1.563 Z: 29 16.748 2.005 0.396 0.363 0.821 0.607 CA 1.596 25 residues pruned to eliminate duplicates Z: 6 6.995 1.797 0.669 0.447 0.800 0.400 CB 1.376 Z: 20 16.063 1.978 0.422 0.512 1.000 0.737 CB 1.294 20 residues pruned to eliminate duplicates Z: 9 8.354 2.179 0.273 0.542 0.875 0.375 CB 1.169 8 residues pruned to eliminate duplicates Z: 22 28.134 2.046 0.760 0.859 0.905 0.524 CB 1.387 22 residues pruned to eliminate duplicates Z: 6 6.062 2.029 0.048 0.299 1.000 0.400 C 1.596 Z: 6 4.226 1.693 0.618 0.298 0.800 0.600 CB 1.081 6 residues pruned to eliminate duplicates Z: 11 15.323 2.057 0.451 0.876 0.900 0.600 CB 1.311 11 residues pruned to eliminate duplicates Z: 18 18.449 2.091 0.366 0.542 1.000 0.765 CB 1.504 18 residues pruned to eliminate duplicates Z: 14 13.930 2.089 0.125 0.501 1.000 0.769 CA 1.641 14 residues pruned to eliminate duplicates Z: 21 31.674 2.089 0.515 0.913 1.000 0.900 CB 1.584 20 residues pruned to eliminate duplicates Z: 21 22.469 1.940 0.977 0.875 0.900 0.500 CA 1.058 20 residues pruned to eliminate duplicates Z: 11 13.275 1.991 0.187 0.619 1.000 0.600 CA 1.588 Z: 14 10.358 1.885 0.436 0.509 0.769 0.769 N 1.368 13 residues pruned to eliminate duplicates Z: 15 9.623 1.866 0.254 0.271 1.000 0.500 CB 1.427 Z: 12 18.720 2.222 0.245 0.852 1.000 0.818 CB 1.510 12 residues pruned to eliminate duplicates Z: 21 10.549 1.885 0.374 0.333 0.850 0.450 CB 1.287 6 residues pruned to eliminate duplicates Z: 22 33.530 2.056 0.702 0.874 1.000 0.714 CA 1.521 22 residues pruned to eliminate duplicates Z: 19 29.209 2.208 0.924 0.886 0.889 0.667 CB 1.316 18 residues pruned to eliminate duplicates Z: 13 7.799 1.807 0.193 0.342 0.833 0.500 CB 1.488 13 residues pruned to eliminate duplicates Z: 24 33.352 2.052 0.717 0.823 0.913 0.478 CA 1.634 24 residues pruned to eliminate duplicates Z: 23 32.905 1.999 0.678 0.891 1.000 0.818 CA 1.503 23 residues pruned to eliminate duplicates Z: 10 12.186 1.959 0.391 0.787 0.889 0.444 CA 1.304 10 residues pruned to eliminate duplicates Z: 10 18.881 1.888 0.978 0.845 1.000 0.889 CA 1.253 Z: 19 41.343 2.345 0.796 0.910 0.944 0.444 CB 1.737 19 residues pruned to eliminate duplicates Z: 20 29.353 2.196 0.570 0.903 1.000 0.789 CB 1.393 20 residues pruned to eliminate duplicates Z: 12 16.557 2.207 0.085 0.837 1.000 0.909 CB 1.560 12 residues pruned to eliminate duplicates Z: 16 9.810 2.158 0.223 0.372 0.800 0.467 CB 1.374 16 residues pruned to eliminate duplicates Z: 6 3.303 1.444 0.037 0.485 1.000 0.800 CB 1.001 Z: 22 35.662 2.059 0.733 0.874 1.000 0.762 CB 1.587 23 residues pruned to eliminate duplicates Z: 22 25.734 1.994 0.403 0.905 1.000 0.905 CA 1.428 22 residues pruned to eliminate duplicates Z: 23 35.441 2.042 0.873 0.931 0.955 0.591 CB 1.446 22 residues pruned to eliminate duplicates Z: 13 13.959 1.980 0.227 0.847 0.917 0.500 CB 1.343 13 residues pruned to eliminate duplicates Z: 17 26.227 2.284 0.625 0.888 0.875 0.562 CB 1.454 17 residues pruned to eliminate duplicates Z: 22 35.291 2.180 0.553 0.934 1.000 0.667 CA 1.585 22 residues pruned to eliminate duplicates Z: 9 12.088 1.973 0.512 0.538 0.875 0.625 CA 1.577 8 residues pruned to eliminate duplicates Z: 12 14.460 2.229 0.266 0.560 0.909 0.636 CB 1.605 9 residues pruned to eliminate duplicates Z: 23 37.001 2.147 0.655 0.860 0.955 0.636 CA 1.711 23 residues pruned to eliminate duplicates Z: 13 11.693 1.841 0.461 0.577 1.000 0.500 CB 1.165 4 residues pruned to eliminate duplicates Z: 23 31.159 1.970 0.633 0.904 1.000 1.000 CA 1.471 22 residues pruned to eliminate duplicates Z: 18 34.363 2.180 0.749 0.870 0.941 0.588 CB 1.696 18 residues pruned to eliminate duplicates Z: 35 23.537 2.075 0.556 0.498 0.853 0.529 CB 1.469 36 residues pruned to eliminate duplicates Z: 12 13.423 1.839 0.784 0.562 0.818 0.545 N 1.419 12 residues pruned to eliminate duplicates Z: 12 9.912 1.883 0.160 0.559 1.000 0.545 CA 1.292 Z: 20 12.680 2.047 0.205 0.397 0.842 0.579 CA 1.562 15 residues pruned to eliminate duplicates Z: 12 15.501 2.083 0.409 0.829 0.909 0.727 CA 1.318 12 residues pruned to eliminate duplicates Z: 7 14.784 2.187 0.452 0.529 1.000 0.500 CA 1.846 7 residues pruned to eliminate duplicates Z: 21 25.197 2.131 0.401 0.867 1.000 0.750 CB 1.380 21 residues pruned to eliminate duplicates Z: 9 9.651 1.964 0.633 0.377 0.875 0.750 N 1.385 9 residues pruned to eliminate duplicates Z: 21 35.299 2.020 0.853 0.890 0.950 0.700 CA 1.597 21 residues pruned to eliminate duplicates Z: 14 10.643 2.050 0.057 0.469 0.846 0.538 CB 1.662 10 residues pruned to eliminate duplicates Z: 27 23.308 2.300 0.616 0.301 0.885 0.385 CA 1.735 19 residues pruned to eliminate duplicates Z: 19 7.617 1.810 0.351 0.318 0.667 0.389 CA 1.346 19 residues pruned to eliminate duplicates Z: 14 11.272 1.908 0.286 0.414 0.923 0.692 CB 1.509 14 residues pruned to eliminate duplicates Z: 10 17.457 1.904 0.895 0.851 1.000 0.889 CA 1.194 10 residues pruned to eliminate duplicates Z: 22 16.442 1.999 0.705 0.412 0.857 0.524 CA 1.346 17 residues pruned to eliminate duplicates Z: 8 6.326 1.797 0.015 0.622 0.857 0.429 C 1.362 Z: 9 3.573 1.559 0.116 0.463 0.750 0.375 CB 1.005 Z: 24 12.720 1.938 0.354 0.368 0.826 0.478 CB 1.410 21 residues pruned to eliminate duplicates Z: 28 31.738 2.228 0.352 0.762 1.000 0.778 CA 1.606 28 residues pruned to eliminate duplicates Z: 22 33.202 2.204 0.634 0.894 1.000 0.762 CA 1.442 22 residues pruned to eliminate duplicates Z: 14 15.923 2.017 0.745 0.795 1.000 0.615 CA 0.969 14 residues pruned to eliminate duplicates Z: 12 12.073 1.915 0.397 0.565 0.909 0.636 N 1.406 9 residues pruned to eliminate duplicates Z: 48 28.502 2.155 0.537 0.503 0.915 0.404 CB 1.368 48 residues pruned to eliminate duplicates Z: 18 33.251 2.231 0.597 0.866 1.000 0.529 CB 1.657 18 residues pruned to eliminate duplicates Z: 12 8.953 1.801 0.592 0.494 0.727 0.545 CA 1.302 Z: 21 12.377 1.959 0.564 0.300 0.850 0.400 CA 1.329 21 residues pruned to eliminate duplicates Z: 30 13.466 2.073 0.307 0.360 0.759 0.517 CB 1.415 29 residues pruned to eliminate duplicates Z: 6 5.318 1.522 0.603 0.649 0.800 0.400 CA 1.061 6 residues pruned to eliminate duplicates Z: 44 18.650 2.051 0.494 0.284 0.884 0.442 CB 1.339 44 residues pruned to eliminate duplicates Z: 20 31.041 2.129 0.822 0.901 0.947 0.684 CA 1.383 20 residues pruned to eliminate duplicates Z: 11 10.083 1.877 0.766 0.430 0.700 0.400 CB 1.478 11 residues pruned to eliminate duplicates Z: 6 6.780 1.754 0.478 0.470 0.800 0.600 CB 1.507 6 residues pruned to eliminate duplicates Z: 9 7.316 1.849 0.099 0.633 1.000 0.750 CB 1.123 9 residues pruned to eliminate duplicates Z: 13 15.749 2.068 0.369 0.673 1.000 0.833 CB 1.369 12 residues pruned to eliminate duplicates Z: 7 5.376 1.716 0.610 0.389 0.667 0.500 CB 1.340 7 residues pruned to eliminate duplicates Z: 11 17.984 2.091 0.406 0.666 1.000 0.800 CB 1.659 11 residues pruned to eliminate duplicates Z: 10 14.533 2.004 0.448 0.844 0.889 0.556 CA 1.398 10 residues pruned to eliminate duplicates Z: 29 14.000 1.870 0.372 0.463 0.786 0.500 CB 1.362 29 residues pruned to eliminate duplicates Z: 14 10.323 1.873 0.138 0.531 0.923 0.462 CB 1.413 13 residues pruned to eliminate duplicates Z: 13 9.805 1.906 0.220 0.397 0.917 0.500 CA 1.481 12 residues pruned to eliminate duplicates Z: 11 10.978 1.918 0.900 0.318 0.800 0.300 CA 1.455 7 residues pruned to eliminate duplicates Z: 24 11.527 1.914 0.351 0.352 0.826 0.435 CB 1.321 24 residues pruned to eliminate duplicates Z: 9 5.554 1.868 0.232 0.448 0.625 0.500 CB 1.439 Z: 7 7.413 1.786 0.730 0.731 0.833 0.667 CA 0.955 6 residues pruned to eliminate duplicates Z: 11 6.623 1.813 0.021 0.473 0.900 0.400 CA 1.292 11 residues pruned to eliminate duplicates Z: 13 18.691 1.955 0.771 0.789 0.833 0.417 CA 1.450 13 residues pruned to eliminate duplicates Z: 10 12.340 1.978 0.309 0.791 0.778 0.556 CA 1.582 10 residues pruned to eliminate duplicates Z: 11 17.535 1.828 0.598 0.849 1.000 0.600 CA 1.407 11 residues pruned to eliminate duplicates Z: 10 11.428 1.918 0.555 0.856 0.889 0.889 CA 1.060 10 residues pruned to eliminate duplicates Z: 12 8.284 1.801 0.467 0.349 0.818 0.636 CA 1.361 17 residues pruned to eliminate duplicates Z: 17 16.742 2.021 0.404 0.921 1.000 0.938 CA 1.038 17 residues pruned to eliminate duplicates Z: 21 25.099 2.007 0.493 0.881 0.950 0.800 CA 1.428 21 residues pruned to eliminate duplicates Z: 23 10.899 1.963 0.187 0.318 0.864 0.364 CA 1.412 23 residues pruned to eliminate duplicates Z: 44 39.388 2.199 0.441 0.696 0.977 0.791 CA 1.623 44 residues pruned to eliminate duplicates Z: 19 15.710 1.945 0.320 0.508 1.000 0.833 CB 1.431 19 residues pruned to eliminate duplicates Z: 22 35.337 2.050 0.794 0.905 1.000 0.714 CB 1.493 22 residues pruned to eliminate duplicates Z: 11 6.523 1.997 -0.004 0.351 0.900 0.500 CB 1.354 11 residues pruned to eliminate duplicates Z: 7 7.440 1.849 0.289 0.436 1.000 0.833 CA 1.363 7 residues pruned to eliminate duplicates Z: 17 18.751 2.096 0.444 0.589 1.000 0.750 CB 1.423 17 residues pruned to eliminate duplicates Z: 28 14.554 2.128 0.281 0.347 0.852 0.556 CB 1.425 29 residues pruned to eliminate duplicates Z: 45 18.997 2.115 0.300 0.310 0.864 0.432 CB 1.488 41 residues pruned to eliminate duplicates Z: 39 32.731 2.029 0.471 0.665 0.947 0.658 CA 1.611 36 residues pruned to eliminate duplicates Z: 10 7.517 1.907 0.163 0.530 0.778 0.667 CB 1.410 10 residues pruned to eliminate duplicates Z: 27 20.086 2.222 0.520 0.324 0.885 0.615 CA 1.600 27 residues pruned to eliminate duplicates Z: 6 7.083 2.246 0.060 0.363 1.000 0.600 CB 1.542 6 residues pruned to eliminate duplicates Z: 21 11.919 1.871 0.384 0.370 0.900 0.450 CB 1.315 21 residues pruned to eliminate duplicates Z: 17 17.339 2.060 0.297 0.634 1.000 0.812 CB 1.431 17 residues pruned to eliminate duplicates Z: 12 7.983 1.900 0.323 0.520 0.909 0.545 CB 1.033 12 residues pruned to eliminate duplicates Z: 22 29.366 2.155 0.532 0.872 0.905 0.619 CB 1.563 22 residues pruned to eliminate duplicates Z: 10 9.275 1.839 0.380 0.771 0.889 0.444 CA 1.078 10 residues pruned to eliminate duplicates Z: 12 14.056 1.942 0.446 0.685 0.909 0.455 CA 1.400 12 residues pruned to eliminate duplicates Z: 20 44.187 2.102 1.063 0.913 1.000 0.684 CA 1.654 22 residues pruned to eliminate duplicates Z: 11 13.097 2.132 0.528 0.758 0.800 0.600 CB 1.264 11 residues pruned to eliminate duplicates Z: 13 12.310 2.075 0.136 0.669 0.917 0.750 CB 1.407 13 residues pruned to eliminate duplicates Z: 14 7.041 1.781 0.265 0.382 0.846 0.538 CA 1.161 5 residues pruned to eliminate duplicates Z: 35 25.480 1.981 0.269 0.614 0.971 0.735 CB 1.608 35 residues pruned to eliminate duplicates Z: 6 2.251 1.489 0.701 0.296 0.800 0.400 CB 0.624 Z: 23 36.152 2.033 0.757 0.925 1.000 0.773 CB 1.515 22 residues pruned to eliminate duplicates Z: 22 19.933 2.132 0.248 0.862 0.952 0.810 CB 1.261 22 residues pruned to eliminate duplicates Z: 11 7.923 1.820 0.375 0.424 0.900 0.700 CB 1.204 11 residues pruned to eliminate duplicates Z: 28 19.993 2.217 0.521 0.312 0.889 0.519 CB 1.581 28 residues pruned to eliminate duplicates Z: 17 13.128 1.924 0.548 0.412 0.750 0.688 CA 1.611 17 residues pruned to eliminate duplicates Z: 8 11.329 2.104 0.354 0.833 0.714 0.571 CA 1.578 8 residues pruned to eliminate duplicates Z: 9 8.430 1.872 0.509 0.453 0.875 0.500 CA 1.265 9 residues pruned to eliminate duplicates Z: 8 4.053 1.529 0.235 0.314 0.857 0.571 CB 1.163 8 residues pruned to eliminate duplicates Z: 12 22.320 2.002 1.131 0.880 1.000 0.545 CA 1.143 14 residues pruned to eliminate duplicates Z: 14 10.177 2.091 0.475 0.239 0.923 0.462 CB 1.341 14 residues pruned to eliminate duplicates Z: 22 31.413 2.150 0.832 0.834 1.000 0.571 CB 1.304 22 residues pruned to eliminate duplicates Z: 11 15.209 1.788 0.614 0.715 1.000 0.600 CB 1.371 Z: 8 4.228 1.962 0.249 0.371 0.714 0.286 CB 1.049 Z: 10 15.128 2.085 0.485 0.558 1.000 0.444 CA 1.540 10 residues pruned to eliminate duplicates Z: 22 34.661 2.066 0.637 0.906 1.000 0.810 CB 1.590 22 residues pruned to eliminate duplicates Z: 18 15.404 2.011 0.354 0.582 1.000 0.706 CB 1.268 18 residues pruned to eliminate duplicates Z: 9 13.510 1.978 0.424 0.870 0.875 0.500 CA 1.414 9 residues pruned to eliminate duplicates Z: 16 30.846 2.185 1.050 0.832 0.800 0.667 CB 1.669 16 residues pruned to eliminate duplicates Z: 62 34.787 2.079 0.640 0.502 0.820 0.459 CB 1.590 62 residues pruned to eliminate duplicates Z: 13 12.172 2.171 0.271 0.507 0.833 0.667 CA 1.517 13 residues pruned to eliminate duplicates Z: 12 4.931 1.701 -0.010 0.402 0.909 0.545 CB 1.078 12 residues pruned to eliminate duplicates Z: 9 4.618 1.558 0.721 0.303 0.750 0.375 CB 1.011 9 residues pruned to eliminate duplicates Z: 15 16.737 2.043 0.326 0.761 0.929 0.714 CB 1.410 13 residues pruned to eliminate duplicates Z: 9 4.279 1.763 0.163 0.385 0.625 0.375 CA 1.335 9 residues pruned to eliminate duplicates Z: 10 13.561 1.947 0.343 0.879 0.889 0.778 CB 1.410 10 residues pruned to eliminate duplicates Z: 13 12.092 1.818 0.709 0.565 0.917 0.583 CB 1.151 Z: 10 13.502 1.899 0.295 0.716 1.000 0.667 CB 1.506 Z: 25 19.117 2.067 0.363 0.499 0.875 0.583 CB 1.585 25 residues pruned to eliminate duplicates Z: 9 4.816 1.648 0.446 0.289 0.750 0.500 CA 1.207 9 residues pruned to eliminate duplicates Z: 31 15.805 1.923 0.387 0.407 0.867 0.600 CB 1.377 47 residues pruned to eliminate duplicates Z: 36 19.905 2.146 0.484 0.312 0.886 0.429 CA 1.469 36 residues pruned to eliminate duplicates Z: 52 36.702 2.069 0.549 0.597 0.941 0.647 CB 1.553 52 residues pruned to eliminate duplicates Z: 9 10.065 2.061 0.258 0.583 0.875 0.625 CA 1.449 9 residues pruned to eliminate duplicates Z: 9 17.393 1.983 0.520 0.907 1.000 0.875 CA 1.450 9 residues pruned to eliminate duplicates Z: 20 23.386 2.155 0.370 0.883 0.947 0.737 CB 1.387 20 residues pruned to eliminate duplicates Z: 12 17.619 2.126 0.172 0.868 1.000 0.909 CB 1.558 12 residues pruned to eliminate duplicates Z: 23 37.377 2.066 0.690 0.922 1.000 0.727 CB 1.604 23 residues pruned to eliminate duplicates Z: 7 2.074 1.274 0.278 0.250 0.833 0.500 CB 0.833 6 residues pruned to eliminate duplicates Z: 19 29.611 2.032 0.544 0.896 1.000 0.889 CA 1.594 19 residues pruned to eliminate duplicates Z: 9 10.867 1.827 0.574 0.833 0.750 0.500 CB 1.336 9 residues pruned to eliminate duplicates Z: 17 10.437 1.909 0.358 0.493 0.812 0.562 CB 1.248 17 residues pruned to eliminate duplicates Z: 29 14.241 1.922 0.320 0.300 0.929 0.536 CB 1.428 29 residues pruned to eliminate duplicates Z: 19 23.070 2.198 0.658 0.894 0.833 0.444 CB 1.285 19 residues pruned to eliminate duplicates Z: 6 6.060 1.790 -0.001 0.505 1.000 0.400 C 1.508 6 residues pruned to eliminate duplicates Z: 23 27.601 1.956 0.460 0.856 1.000 0.773 CA 1.520 23 residues pruned to eliminate duplicates Z: 13 14.313 2.150 0.360 0.540 0.917 0.750 CB 1.482 13 residues pruned to eliminate duplicates Z: 6 2.730 1.528 0.325 0.357 0.600 0.400 N 1.174 Z: 28 20.145 2.139 0.538 0.388 0.889 0.519 CA 1.493 28 residues pruned to eliminate duplicates Z: 10 7.341 1.954 0.392 0.400 0.667 0.222 CA 1.499 10 residues pruned to eliminate duplicates Z: 6 4.245 1.497 0.075 0.709 1.000 0.800 CB 0.976 Z: 47 28.713 2.170 0.646 0.518 0.826 0.413 CB 1.409 47 residues pruned to eliminate duplicates Z: 20 16.726 1.943 0.558 0.853 0.947 0.474 CA 0.989 21 residues pruned to eliminate duplicates Z: 9 5.353 2.018 0.267 0.249 0.625 0.250 CB 1.582 Z: 8 6.146 1.553 0.689 0.320 0.857 0.429 CA 1.260 6 residues pruned to eliminate duplicates Z: 16 18.942 2.059 0.374 0.803 0.933 0.867 CB 1.421 16 residues pruned to eliminate duplicates Z: 52 39.943 2.184 0.650 0.660 0.882 0.529 CB 1.517 52 residues pruned to eliminate duplicates Z: 18 10.268 2.064 0.071 0.357 0.824 0.412 CA 1.596 18 residues pruned to eliminate duplicates Z: 17 13.223 1.945 0.230 0.481 0.875 0.688 N 1.608 17 residues pruned to eliminate duplicates Z: 43 34.840 2.184 0.529 0.642 0.857 0.524 CA 1.644 43 residues pruned to eliminate duplicates Z: 42 38.617 2.213 0.494 0.698 1.000 0.683 CA 1.522 42 residues pruned to eliminate duplicates Z: 8 2.716 1.850 0.333 0.210 0.714 0.286 CA 0.820 Z: 11 17.272 1.887 0.591 0.868 1.000 0.700 CA 1.330 11 residues pruned to eliminate duplicates Z: 27 12.875 1.902 0.358 0.346 0.846 0.500 CA 1.366 27 residues pruned to eliminate duplicates Z: 11 10.774 1.934 0.161 0.792 0.800 0.400 CA 1.468 11 residues pruned to eliminate duplicates Z: 10 5.158 1.628 1.142 0.651 0.889 0.667 CB 0.482 Z: 16 21.033 1.943 0.838 0.898 1.000 0.267 CA 1.088 16 residues pruned to eliminate duplicates Z: 21 13.622 1.882 0.518 0.326 0.850 0.550 CB 1.518 21 residues pruned to eliminate duplicates Z: 17 8.070 1.587 0.293 0.373 0.812 0.500 N 1.387 10 residues pruned to eliminate duplicates Z: 28 12.604 2.154 0.188 0.343 0.778 0.481 CB 1.445 28 residues pruned to eliminate duplicates Z: 9 18.245 2.160 0.585 0.683 1.000 0.750 CB 1.593 9 residues pruned to eliminate duplicates Z: 21 37.436 2.289 0.604 0.903 0.950 0.700 CB 1.711 21 residues pruned to eliminate duplicates Z: 22 15.865 1.970 0.557 0.382 0.857 0.476 CB 1.494 38 residues pruned to eliminate duplicates Z: 14 9.221 1.870 0.236 0.406 0.846 0.538 CB 1.443 14 residues pruned to eliminate duplicates Z: 25 36.504 1.977 0.729 0.894 1.000 0.750 CB 1.564 23 residues pruned to eliminate duplicates Z: 6 3.723 1.707 0.075 0.458 0.800 0.400 CB 1.184 6 residues pruned to eliminate duplicates Z: 20 19.983 2.011 0.662 0.879 1.000 0.737 CA 0.994 20 residues pruned to eliminate duplicates Z: 18 12.234 1.962 0.250 0.317 0.882 0.529 CB 1.679 18 residues pruned to eliminate duplicates Z: 9 9.759 1.982 0.109 0.822 0.750 0.375 CB 1.583 9 residues pruned to eliminate duplicates Z: 6 3.737 1.502 0.548 0.315 0.800 0.600 N 1.103 Z: 9 8.554 1.872 0.382 0.605 0.875 0.500 CA 1.209 9 residues pruned to eliminate duplicates Z: 28 17.450 2.075 0.517 0.390 0.852 0.407 CA 1.407 28 residues pruned to eliminate duplicates Z: 25 24.447 2.097 0.672 0.617 0.917 0.500 CA 1.390 17 residues pruned to eliminate duplicates Z: 18 12.861 1.890 0.594 0.371 0.765 0.353 CA 1.555 18 residues pruned to eliminate duplicates Z: 11 7.816 1.804 0.410 0.417 0.800 0.600 CA 1.325 11 residues pruned to eliminate duplicates Z: 12 8.893 1.832 0.399 0.500 0.818 0.545 CA 1.278 12 residues pruned to eliminate duplicates Z: 19 12.420 2.180 0.252 0.413 0.722 0.556 CA 1.626 19 residues pruned to eliminate duplicates Z: 18 20.744 2.003 0.779 0.846 0.941 0.647 CA 1.114 18 residues pruned to eliminate duplicates Z: 13 10.211 1.783 0.419 0.583 0.833 0.583 CA 1.291 10 residues pruned to eliminate duplicates Z: 24 39.990 2.050 0.885 0.897 0.957 0.609 CB 1.615 25 residues pruned to eliminate duplicates Z: 8 10.378 2.095 0.567 0.661 1.000 0.714 CA 1.029 8 residues pruned to eliminate duplicates Z: 11 7.062 1.818 0.159 0.614 0.700 0.600 CB 1.359 8 residues pruned to eliminate duplicates Z: 7 5.595 1.689 0.310 0.544 0.833 0.667 CB 1.186 7 residues pruned to eliminate duplicates Z: 12 5.431 1.687 0.131 0.488 0.818 0.455 CB 1.062 12 residues pruned to eliminate duplicates Z: 34 16.688 2.067 0.293 0.388 0.848 0.545 CB 1.442 33 residues pruned to eliminate duplicates Z: 21 43.092 2.290 0.714 0.891 1.000 0.400 CB 1.765 30 residues pruned to eliminate duplicates Z: 13 8.339 1.943 0.251 0.280 0.833 0.333 N 1.524 13 residues pruned to eliminate duplicates 6 1.664 1.544 0.325 0.280 1.000 0.600 CB 0.466 ? Z: 31 27.861 2.159 0.415 0.681 0.933 0.567 CA 1.511 31 residues pruned to eliminate duplicates Z: 13 10.395 1.863 0.430 0.589 0.833 0.500 CB 1.241 13 residues pruned to eliminate duplicates Z: 7 5.532 1.754 -0.109 0.711 1.000 0.833 C 1.193 Z: 9 8.564 1.768 0.405 0.557 0.875 0.625 CB 1.318 Z: 7 2.798 1.458 0.178 0.338 1.000 0.333 CB 0.793 Z: 23 30.659 1.934 0.634 0.886 1.000 0.818 CA 1.492 23 residues pruned to eliminate duplicates Z: 7 3.958 1.641 0.070 0.361 1.000 0.500 CB 1.069 6 1.982 1.322 0.294 0.421 0.800 0.600 N 0.703 ? Z: 7 5.018 1.713 0.694 0.452 0.667 0.500 CB 1.112 Z: 11 10.518 1.937 0.007 0.724 0.900 0.600 CB 1.548 11 residues pruned to eliminate duplicates Z: 7 5.407 1.797 0.158 0.528 0.833 0.667 CA 1.239 Z: 7 6.031 1.836 0.679 0.363 0.667 0.500 N 1.388 14 residues pruned to eliminate duplicates Z: 14 9.784 1.927 0.570 0.385 0.846 0.462 CA 1.198 14 residues pruned to eliminate duplicates Z: 6 7.186 1.720 0.714 0.600 0.800 0.600 CA 1.238 6 residues pruned to eliminate duplicates Z: 11 15.581 2.185 0.147 0.857 1.000 0.800 CA 1.448 11 residues pruned to eliminate duplicates Z: 23 16.837 2.107 0.732 0.361 0.818 0.545 CB 1.397 23 residues pruned to eliminate duplicates Z: 22 34.372 2.163 0.592 0.882 0.952 0.476 CB 1.655 22 residues pruned to eliminate duplicates Z: 9 4.849 1.732 0.418 0.347 0.625 0.625 N 1.320 9 residues pruned to eliminate duplicates Z: 6 2.241 1.579 0.289 0.429 0.600 0.400 CB 0.883 6 residues pruned to eliminate duplicates Z: 29 28.720 2.179 0.449 0.721 0.964 0.750 CB 1.460 29 residues pruned to eliminate duplicates Z: 8 9.721 1.885 0.313 0.525 0.857 0.714 CA 1.690 Z: 11 15.034 2.075 0.301 0.848 1.000 0.500 CB 1.306 11 residues pruned to eliminate duplicates Z: 8 3.547 1.749 0.317 0.420 0.571 0.286 CB 1.107 8 residues pruned to eliminate duplicates Z: 21 18.996 1.914 0.885 0.869 0.850 0.650 CA 1.012 21 residues pruned to eliminate duplicates Z: 29 15.091 2.065 0.277 0.372 0.857 0.500 CB 1.447 29 residues pruned to eliminate duplicates Z: 22 11.066 1.807 0.178 0.412 0.952 0.619 CB 1.306 22 residues pruned to eliminate duplicates Z: 7 3.555 1.461 0.271 0.383 0.833 0.333 CB 1.062 7 residues pruned to eliminate duplicates Z: 37 25.734 2.190 0.618 0.366 0.917 0.444 CA 1.525 37 residues pruned to eliminate duplicates Z: 35 11.631 1.956 0.257 0.297 0.735 0.500 CB 1.385 35 residues pruned to eliminate duplicates Z: 9 11.148 1.825 0.259 0.883 1.000 0.875 CA 1.240 9 residues pruned to eliminate duplicates Z: 11 11.068 2.028 0.137 0.616 0.900 0.900 CB 1.512 11 residues pruned to eliminate duplicates Z: 13 8.248 1.957 0.201 0.415 0.833 0.583 CB 1.328 13 residues pruned to eliminate duplicates Z: 13 15.408 2.116 0.263 0.629 0.917 0.583 CA 1.609 13 residues pruned to eliminate duplicates Z: 8 15.564 2.099 0.708 0.686 1.000 0.857 CA 1.384 8 residues pruned to eliminate duplicates Z: 6 6.211 1.610 0.390 0.793 1.000 0.400 CA 0.960 Z: 29 17.984 1.934 0.300 0.536 0.929 0.607 CB 1.405 29 residues pruned to eliminate duplicates Z: 14 7.715 1.774 0.312 0.461 0.923 0.615 CB 1.036 5 residues pruned to eliminate duplicates Z: 11 15.371 2.121 0.443 0.873 0.900 0.400 CB 1.286 11 residues pruned to eliminate duplicates Z: 7 2.858 1.503 0.186 0.498 0.833 0.667 CB 0.787 Z: 44 26.115 1.980 0.723 0.597 0.884 0.488 CA 1.205 38 residues pruned to eliminate duplicates Z: 7 7.228 1.407 0.526 0.677 1.000 1.000 CA 1.167 Z: 29 29.304 2.128 0.462 0.659 0.964 0.750 CA 1.594 29 residues pruned to eliminate duplicates Z: 7 2.511 1.255 0.071 0.538 0.833 0.667 CB 0.882 Z: 26 18.397 2.111 0.663 0.351 0.800 0.400 CA 1.539 28 residues pruned to eliminate duplicates Z: 13 10.465 1.942 0.346 0.396 0.833 0.667 CB 1.548 13 residues pruned to eliminate duplicates Z: 10 8.222 1.802 0.548 0.427 0.778 0.556 CB 1.363 10 residues pruned to eliminate duplicates Z: 6 6.558 1.940 0.311 0.490 0.800 0.400 CB 1.455 6 residues pruned to eliminate duplicates Z: 9 4.292 1.638 0.168 0.438 0.875 0.750 CB 0.966 Z: 9 6.283 1.988 0.238 0.535 0.625 0.375 CB 1.395 9 residues pruned to eliminate duplicates Z: 16 7.137 1.787 0.612 0.277 0.800 0.467 N 1.029 16 residues pruned to eliminate duplicates Z: 7 4.034 1.578 0.008 0.655 1.000 0.667 CB 0.896 Z: 10 10.514 2.016 0.234 0.667 0.889 0.778 CB 1.359 10 residues pruned to eliminate duplicates Z: 7 4.451 1.477 0.703 0.266 0.833 0.333 N 1.132 Z: 12 10.074 1.859 0.632 0.461 0.818 0.455 CA 1.274 10 residues pruned to eliminate duplicates Z: 27 18.217 2.173 0.563 0.267 0.885 0.346 CB 1.551 27 residues pruned to eliminate duplicates Z: 7 2.285 1.452 0.066 0.293 0.667 0.500 CA 1.139 Z: 6 4.279 1.603 0.193 0.479 0.800 0.600 CA 1.277 4 residues pruned to eliminate duplicates Z: 17 15.324 2.023 0.431 0.483 0.938 0.562 CA 1.437 17 residues pruned to eliminate duplicates Z: 7 2.010 1.519 -0.302 0.450 0.833 0.500 CA 0.977 Z: 35 16.283 2.057 0.292 0.327 0.853 0.441 CB 1.488 36 residues pruned to eliminate duplicates Z: 11 16.682 2.047 0.501 0.715 0.900 0.800 CB 1.569 11 residues pruned to eliminate duplicates Z: 9 5.485 1.772 0.414 0.537 0.875 0.750 CB 0.853 9 residues pruned to eliminate duplicates Z: 7 4.056 1.487 1.218 0.282 0.833 0.500 CB 0.771 Z: 6 4.554 1.490 0.031 0.644 1.000 0.600 N 1.159 Z: 8 8.549 1.851 0.077 0.645 1.000 0.143 CA 1.416 8 residues pruned to eliminate duplicates Z: 20 12.763 1.915 0.580 0.306 0.842 0.421 CB 1.426 18 residues pruned to eliminate duplicates Z: 13 8.449 1.926 0.222 0.397 0.917 0.417 CB 1.261 14 residues pruned to eliminate duplicates Z: 12 14.532 2.152 0.545 0.428 0.909 0.455 CB 1.562 12 residues pruned to eliminate duplicates Z: 41 20.341 2.081 0.552 0.277 0.850 0.450 CA 1.507 41 residues pruned to eliminate duplicates Z: 11 7.263 1.719 0.275 0.558 0.800 0.400 CA 1.238 11 residues pruned to eliminate duplicates Z: 20 19.914 2.157 0.537 0.537 0.895 0.579 CB 1.485 20 residues pruned to eliminate duplicates Z: 25 21.757 2.084 0.465 0.484 0.875 0.500 CB 1.690 25 residues pruned to eliminate duplicates Z: 14 7.514 1.894 0.106 0.388 0.769 0.538 CA 1.455 14 residues pruned to eliminate duplicates Z: 6 2.670 1.863 -0.283 0.457 0.800 0.800 CB 1.168 6 residues pruned to eliminate duplicates Z: 7 4.160 1.600 0.495 0.243 0.833 0.333 CA 1.146 7 residues pruned to eliminate duplicates Z: 10 7.204 1.727 0.495 0.466 0.889 0.889 CA 1.083 10 residues pruned to eliminate duplicates Z: 12 14.540 2.061 0.338 0.841 0.909 0.818 CA 1.304 16 residues pruned to eliminate duplicates Z: 7 2.779 1.509 0.117 0.341 0.833 0.500 O 0.961 Z: 21 30.352 2.194 0.549 0.946 1.000 0.650 CB 1.380 21 residues pruned to eliminate duplicates Z: 6 3.560 1.562 0.588 0.450 0.600 0.400 CB 1.125 Z: 8 5.067 1.716 0.012 0.431 1.000 0.429 N 1.185 8 residues pruned to eliminate duplicates Z: 10 15.471 2.352 0.450 0.401 0.889 0.444 CA 1.888 10 residues pruned to eliminate duplicates Z: 10 15.613 1.881 0.898 0.828 1.000 0.667 CA 1.098 13 residues pruned to eliminate duplicates Z: 11 18.878 2.176 0.598 0.749 0.900 0.700 CB 1.527 11 residues pruned to eliminate duplicates Z: 14 6.853 1.707 0.309 0.436 0.769 0.538 CB 1.181 14 residues pruned to eliminate duplicates Z: 7 3.800 1.720 -0.112 0.531 1.000 0.333 CB 0.985 Z: 6 2.413 1.526 -0.012 0.434 1.000 0.400 N 0.766 Z: 8 6.202 1.906 0.323 0.434 0.714 0.571 CB 1.393 9 residues pruned to eliminate duplicates Z: 13 12.492 1.854 0.724 0.655 0.750 0.750 CB 1.302 13 residues pruned to eliminate duplicates Z: 6 5.766 2.034 -0.150 0.562 1.000 1.000 CA 1.405 Z: 14 18.338 1.972 0.531 0.599 1.000 0.769 CA 1.533 17 residues pruned to eliminate duplicates Z: 13 23.760 2.188 0.384 0.876 1.000 0.667 CB 1.645 13 residues pruned to eliminate duplicates Z: 10 11.490 2.019 0.303 0.546 1.000 0.556 CA 1.392 10 residues pruned to eliminate duplicates Z: 11 8.305 1.938 0.316 0.383 1.000 0.500 CB 1.167 11 residues pruned to eliminate duplicates Z: 15 13.225 1.933 0.422 0.888 0.929 0.643 CA 0.998 15 residues pruned to eliminate duplicates 7 1.378 1.086 0.917 0.350 0.500 0.333 N 0.636 ? Z: 7 3.537 1.613 0.211 0.577 0.833 0.667 CB 0.824 Z: 16 12.772 1.819 0.670 0.404 0.800 0.533 CA 1.500 12 residues pruned to eliminate duplicates Z: 7 4.419 1.347 0.967 0.542 0.667 0.500 C 0.981 Z: 16 9.604 1.862 0.412 0.315 0.933 0.733 CB 1.240 16 residues pruned to eliminate duplicates Z: 24 9.026 1.822 0.203 0.348 0.826 0.478 CB 1.226 24 residues pruned to eliminate duplicates Z: 14 11.383 1.912 0.476 0.362 1.000 0.692 CA 1.298 14 residues pruned to eliminate duplicates 6 1.788 1.321 0.093 0.297 0.600 0.400 C 1.159 ? Z: 6 2.306 1.399 0.439 0.333 0.800 0.600 CB 0.768 Z: 11 5.922 1.630 0.507 0.367 0.800 0.500 CB 1.099 11 residues pruned to eliminate duplicates Z: 19 7.720 1.652 0.310 0.385 0.833 0.556 CB 1.141 17 residues pruned to eliminate duplicates Z: 9 4.956 1.514 0.144 0.757 1.000 0.625 CB 0.804 Z: 20 18.155 2.064 0.500 0.468 0.895 0.526 CB 1.552 20 residues pruned to eliminate duplicates Z: 21 40.015 2.185 1.130 0.939 1.000 0.550 CB 1.336 22 residues pruned to eliminate duplicates Z: 8 9.624 1.869 0.398 0.719 0.857 0.714 CB 1.331 8 residues pruned to eliminate duplicates Z: 6 6.455 1.430 0.545 0.772 1.000 0.600 N 1.027 Z: 31 15.029 1.971 0.359 0.348 0.867 0.467 CA 1.395 31 residues pruned to eliminate duplicates Z: 12 12.421 1.986 0.457 0.404 0.909 0.455 CB 1.576 12 residues pruned to eliminate duplicates Z: 7 3.039 1.260 0.454 0.400 0.667 0.500 CA 1.128 Z: 28 15.979 1.932 0.270 0.465 0.926 0.667 CB 1.402 28 residues pruned to eliminate duplicates Z: 6 5.548 1.348 0.879 0.699 1.000 0.600 C 0.816 Z: 21 14.194 1.869 0.334 0.482 0.950 0.600 CB 1.365 21 residues pruned to eliminate duplicates Z: 17 31.957 2.281 0.700 0.911 1.000 0.562 CB 1.460 17 residues pruned to eliminate duplicates Z: 16 9.439 1.938 0.287 0.281 0.867 0.467 CB 1.443 17 residues pruned to eliminate duplicates Z: 11 22.053 2.225 0.456 0.879 1.000 0.600 CA 1.561 11 residues pruned to eliminate duplicates 7 1.600 1.532 0.266 0.242 0.667 0.500 CB 0.681 ? Z: 9 8.798 1.943 0.454 0.406 0.750 0.500 CA 1.622 9 residues pruned to eliminate duplicates Z: 7 3.070 1.369 0.670 0.373 0.667 0.333 CB 0.942 Z: 41 17.695 2.067 0.396 0.414 0.800 0.525 CB 1.325 41 residues pruned to eliminate duplicates Z: 20 26.665 2.194 0.464 0.822 1.000 0.684 CB 1.440 20 residues pruned to eliminate duplicates Z: 12 4.362 1.796 0.039 0.329 0.727 0.364 CB 1.169 12 residues pruned to eliminate duplicates Z: 14 8.577 1.963 0.125 0.431 0.692 0.538 CB 1.671 14 residues pruned to eliminate duplicates Z: 12 14.797 1.937 0.806 0.613 0.909 0.727 CA 1.260 12 residues pruned to eliminate duplicates Z: 9 3.215 1.582 0.061 0.344 1.000 0.625 CB 0.803 Z: 9 9.785 1.792 0.716 0.523 0.875 0.875 CA 1.257 9 residues pruned to eliminate duplicates Z: 7 2.233 1.577 -0.096 0.315 0.833 0.333 CB 0.942 Z: 7 3.760 1.326 0.328 0.532 0.833 0.333 CB 1.013 Z: 29 25.391 2.075 0.341 0.666 0.964 0.821 CB 1.534 29 residues pruned to eliminate duplicates Z: 26 20.598 1.907 0.516 0.644 0.800 0.560 CA 1.557 26 residues pruned to eliminate duplicates Z: 11 10.923 1.990 0.437 0.403 0.800 0.400 CB 1.673 13 residues pruned to eliminate duplicates Z: 23 23.802 2.130 0.741 0.627 0.773 0.409 CB 1.571 23 residues pruned to eliminate duplicates Z: 10 14.292 1.875 0.639 0.848 1.000 0.556 CA 1.150 10 residues pruned to eliminate duplicates 8 1.934 1.392 0.234 0.270 0.571 0.286 CA 0.968 ? 6 1.909 1.056 0.333 0.392 1.000 0.600 CB 0.680 ? Z: 8 4.039 1.480 0.017 0.499 0.857 0.571 CB 1.184 Z: 10 4.369 1.635 0.317 0.262 0.778 0.556 CB 1.142 Z: 8 2.636 1.356 0.504 0.302 0.714 0.429 CB 0.852 Z: 9 6.969 1.822 0.501 0.462 0.875 0.625 CB 1.071 9 residues pruned to eliminate duplicates Z: 7 4.942 1.621 0.169 0.633 1.000 0.667 N 0.939 7 residues pruned to eliminate duplicates Z: 8 3.032 1.188 0.570 0.212 1.000 0.571 CB 0.863 6 1.712 1.299 0.839 0.444 0.600 0.400 CB 0.566 ? Z: 6 6.145 1.587 0.521 0.390 1.000 1.000 C 1.280 Z: 13 12.927 2.002 0.396 0.550 0.917 0.833 CA 1.388 13 residues pruned to eliminate duplicates Z: 12 6.886 1.674 0.453 0.393 0.909 0.455 CB 1.052 12 residues pruned to eliminate duplicates Z: 9 14.194 1.920 0.686 0.609 1.000 0.625 CA 1.399 9 residues pruned to eliminate duplicates Z: 6 2.362 1.531 -0.144 0.471 1.000 0.400 CB 0.830 Z: 20 46.133 2.296 0.863 0.930 0.947 0.526 CA 1.827 20 residues pruned to eliminate duplicates Z: 9 3.038 1.598 0.143 0.406 0.875 0.625 CB 0.742 Z: 6 2.402 1.554 -0.013 0.226 0.800 0.400 N 1.206 Z: 6 6.743 1.497 0.317 0.759 1.000 0.600 N 1.214 6 residues pruned to eliminate duplicates Z: 14 14.688 2.128 0.313 0.457 0.923 0.846 CA 1.651 14 residues pruned to eliminate duplicates Z: 19 8.541 1.823 0.402 0.327 0.778 0.556 CB 1.225 19 residues pruned to eliminate duplicates Z: 6 4.380 1.491 -0.020 0.620 1.000 0.800 CB 1.197 19 residues pruned to eliminate duplicates 8 1.320 1.547 0.229 0.071 0.571 0.143 CB 0.803 ? 6 1.429 1.100 -0.017 0.289 0.800 0.600 O 0.936 ? Z: 6 2.320 1.531 0.209 0.364 0.600 0.400 C 1.081 Z: 7 5.084 1.612 0.264 0.369 1.000 0.500 CB 1.172 6 residues pruned to eliminate duplicates Z: 25 12.031 1.914 0.230 0.353 0.833 0.500 CB 1.467 25 residues pruned to eliminate duplicates Z: 17 14.488 2.066 0.499 0.397 0.875 0.625 CA 1.490 17 residues pruned to eliminate duplicates Z: 6 4.966 1.680 0.116 0.638 0.800 0.600 O 1.301 7 1.702 1.548 0.517 0.486 0.667 0.333 C 0.450 ? Z: 6 8.282 1.744 0.327 0.729 1.000 0.800 CA 1.301 6 residues pruned to eliminate duplicates Z: 7 4.937 1.427 0.569 0.532 1.000 0.333 CB 0.872 Z: 47 26.627 2.111 0.472 0.496 0.891 0.413 CB 1.424 47 residues pruned to eliminate duplicates Z: 13 8.452 1.659 0.281 0.537 0.917 0.583 CB 1.208 13 residues pruned to eliminate duplicates Z: 12 11.025 2.142 0.288 0.476 0.909 0.909 CA 1.357 12 residues pruned to eliminate duplicates 6 1.649 1.380 0.415 0.292 0.600 0.400 CA 0.795 ? Z: 11 6.236 1.533 0.250 0.497 0.800 0.400 N 1.291 6 0.287 1.449 0.374 0.414 0.600 0.400 CB 0.117 ? Z: 11 8.976 1.714 0.495 0.514 0.900 0.700 CB 1.214 11 residues pruned to eliminate duplicates Z: 11 4.239 1.729 0.173 0.339 0.700 0.500 CB 1.126 11 residues pruned to eliminate duplicates Z: 27 29.933 2.064 0.576 0.731 1.000 0.692 CB 1.466 27 residues pruned to eliminate duplicates Z: 6 11.035 2.033 0.740 0.666 1.000 0.400 CA 1.197 6 residues pruned to eliminate duplicates Z: 11 21.456 2.145 0.551 0.758 1.000 0.400 CB 1.621 11 residues pruned to eliminate duplicates Z: 11 6.529 1.878 0.244 0.312 0.800 0.400 CA 1.361 11 residues pruned to eliminate duplicates 6 1.603 1.429 -0.051 0.294 0.800 0.600 CB 0.831 ? Z: 16 11.037 2.002 0.338 0.564 1.000 0.867 CA 0.999 Z: 19 20.323 1.910 0.746 0.879 1.000 0.833 CA 1.042 19 residues pruned to eliminate duplicates Z: 29 22.491 1.940 0.469 0.589 0.964 0.750 CB 1.420 29 residues pruned to eliminate duplicates 6 1.850 1.520 0.327 0.100 0.800 0.200 CB 0.855 ? Z: 6 3.391 1.551 0.305 0.521 0.800 0.600 CB 0.917 Z: 7 14.717 1.937 0.794 0.810 1.000 0.833 CA 1.320 7 residues pruned to eliminate duplicates Z: 6 7.996 1.809 0.790 0.689 0.800 0.600 N 1.161 6 0.655 0.947 0.916 0.386 0.800 0.600 CB 0.228 ? Z: 7 11.614 1.950 0.490 0.822 1.000 0.667 CA 1.234 7 residues pruned to eliminate duplicates Z: 22 34.472 2.084 0.601 0.881 1.000 0.762 CB 1.632 22 residues pruned to eliminate duplicates Z: 6 2.403 1.489 0.953 0.100 0.800 0.600 C 0.770 Z: 7 3.913 1.638 -0.037 0.668 0.833 0.667 CB 1.040 Z: 10 6.300 1.689 0.407 0.428 0.889 0.444 CB 1.072 Z: 10 7.574 1.816 0.414 0.420 1.000 0.556 N 1.069 10 residues pruned to eliminate duplicates Z: 21 12.513 2.172 0.195 0.272 0.850 0.550 CB 1.644 21 residues pruned to eliminate duplicates Z: 19 14.252 1.914 0.419 0.363 0.944 0.500 CA 1.517 19 residues pruned to eliminate duplicates Z: 7 2.280 1.497 0.344 0.178 0.667 0.500 CA 1.023 Z: 10 14.022 1.825 0.708 0.808 0.889 0.444 CA 1.290 10 residues pruned to eliminate duplicates Z: 7 6.195 1.737 0.482 0.700 0.833 0.833 CA 0.982 7 residues pruned to eliminate duplicates 8 1.431 1.332 -0.028 0.306 0.857 0.571 N 0.605 ? Z: 67 39.180 2.148 0.673 0.543 0.894 0.409 CB 1.440 83 residues pruned to eliminate duplicates 6 1.834 1.310 0.812 0.100 0.600 0.200 CA 0.960 ? 7 1.655 1.094 1.148 0.245 0.667 0.333 N 0.579 ? Z: 6 2.052 1.250 0.075 0.390 0.800 0.600 CB 0.960 Z: 12 9.614 1.858 0.386 0.393 0.818 0.455 N 1.540 12 residues pruned to eliminate duplicates 6 1.500 1.260 0.128 0.294 0.800 0.400 CB 0.743 ? Z: 7 4.099 1.799 -0.031 0.362 0.833 0.333 CB 1.336 7 residues pruned to eliminate duplicates Z: 9 4.029 1.439 0.682 0.380 0.875 0.250 CB 0.764 Z: 27 30.912 2.054 0.784 0.651 0.923 0.462 CB 1.557 27 residues pruned to eliminate duplicates Z: 8 2.052 1.249 0.264 0.245 0.857 0.286 O 0.769 6 1.774 1.161 0.409 0.451 0.800 0.400 CB 0.638 ? Z: 13 7.281 1.843 0.286 0.410 0.833 0.667 CA 1.170 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 5.813 1.718 0.890 0.276 1.000 0.600 CB 1.032 6 residues pruned to eliminate duplicates Z: 10 8.181 1.588 0.604 0.451 0.889 0.667 CA 1.267 10 residues pruned to eliminate duplicates Z: 8 9.973 1.996 0.502 0.439 0.857 0.571 CB 1.563 9 residues pruned to eliminate duplicates Z: 7 4.849 1.511 0.743 0.294 0.833 0.500 CA 1.137 5 residues pruned to eliminate duplicates Z: 10 5.877 1.557 0.319 0.427 0.889 0.444 CA 1.157 10 residues pruned to eliminate duplicates Z: 11 8.931 1.934 0.696 0.392 0.800 0.400 CA 1.207 11 residues pruned to eliminate duplicates Z: 9 9.095 1.955 0.670 0.484 0.875 0.625 CB 1.145 9 residues pruned to eliminate duplicates Z: 12 10.820 1.866 0.492 0.420 0.909 0.545 CB 1.402 12 residues pruned to eliminate duplicates Z: 19 18.323 2.015 0.415 0.538 1.000 0.778 CB 1.459 19 residues pruned to eliminate duplicates Z: 16 17.182 2.098 0.389 0.572 1.000 0.733 CB 1.421 16 residues pruned to eliminate duplicates Z: 17 15.754 2.104 0.307 0.584 0.938 0.750 CB 1.409 17 residues pruned to eliminate duplicates Z: 17 19.761 2.085 0.372 0.617 1.000 0.812 CB 1.545 17 residues pruned to eliminate duplicates Z: 18 18.047 2.041 0.376 0.575 1.000 0.765 CB 1.450 18 residues pruned to eliminate duplicates Z: 16 15.692 2.093 0.391 0.573 0.933 0.800 CB 1.390 16 residues pruned to eliminate duplicates Z: 20 16.612 2.053 0.468 0.565 0.895 0.684 CB 1.328 20 residues pruned to eliminate duplicates Z: 16 15.866 2.095 0.501 0.567 0.933 0.800 CB 1.307 16 residues pruned to eliminate duplicates Z: 22 15.678 1.888 0.424 0.442 1.000 0.571 CB 1.351 22 residues pruned to eliminate duplicates Z: 18 17.324 2.045 0.398 0.549 1.000 0.824 CB 1.402 18 residues pruned to eliminate duplicates Z: 6 5.801 1.676 0.572 0.380 1.000 0.800 CB 1.119 6 residues pruned to eliminate duplicates Z: 16 17.005 2.101 0.416 0.561 1.000 0.733 CB 1.391 16 residues pruned to eliminate duplicates Z: 18 18.671 2.086 0.383 0.578 1.000 0.706 CB 1.456 18 residues pruned to eliminate duplicates Z: 19 16.826 2.040 0.410 0.540 0.944 0.722 CB 1.404 19 residues pruned to eliminate duplicates Z: 18 20.699 2.096 0.443 0.591 1.000 0.765 CB 1.521 18 residues pruned to eliminate duplicates Z: 14 10.978 1.982 0.226 0.462 0.846 0.692 CB 1.538 14 residues pruned to eliminate duplicates Z: 12 8.759 1.975 0.318 0.507 0.818 0.455 CA 1.231 12 residues pruned to eliminate duplicates Z: 14 11.225 1.909 0.398 0.432 0.846 0.615 CA 1.480 14 residues pruned to eliminate duplicates Z: 15 10.353 1.949 0.329 0.385 0.786 0.429 CB 1.536 15 residues pruned to eliminate duplicates Z: 15 10.827 1.965 0.386 0.384 0.786 0.429 CB 1.530 15 residues pruned to eliminate duplicates Z: 15 9.219 1.851 0.224 0.396 0.857 0.500 CB 1.415 15 residues pruned to eliminate duplicates Z: 12 11.203 1.956 0.147 0.553 1.000 0.545 CA 1.429 12 residues pruned to eliminate duplicates Z: 15 10.930 1.969 0.422 0.414 0.786 0.500 CB 1.453 14 residues pruned to eliminate duplicates Z: 6 2.705 1.610 0.164 0.199 0.800 0.400 O 1.155 7 residues pruned to eliminate duplicates Z: 16 8.829 1.776 0.371 0.355 0.800 0.533 CB 1.369 16 residues pruned to eliminate duplicates Z: 14 7.985 1.748 0.385 0.311 0.846 0.462 CA 1.333 15 residues pruned to eliminate duplicates Z: 7 4.016 1.611 0.582 0.429 1.000 0.333 CB 0.692 7 residues pruned to eliminate duplicates Z: 16 15.916 2.006 0.508 0.486 0.867 0.600 N 1.590 20 residues pruned to eliminate duplicates Z: 15 14.034 1.954 0.622 0.497 0.929 0.643 CA 1.278 15 residues pruned to eliminate duplicates Z: 12 13.450 1.887 0.600 0.560 0.909 0.636 CA 1.394 12 residues pruned to eliminate duplicates Z: 13 11.344 1.909 0.488 0.433 0.833 0.500 CA 1.483 13 residues pruned to eliminate duplicates Z: 16 17.576 1.938 0.650 0.467 0.933 0.533 N 1.572 22 residues pruned to eliminate duplicates Z: 6 7.189 1.585 0.535 0.453 1.000 0.800 C 1.387 6 residues pruned to eliminate duplicates Z: 16 13.867 1.905 0.604 0.442 0.867 0.667 CA 1.435 16 residues pruned to eliminate duplicates Z: 12 10.510 1.865 0.486 0.473 0.818 0.636 CA 1.435 12 residues pruned to eliminate duplicates Z: 15 17.788 1.979 0.691 0.494 0.929 0.643 CA 1.538 15 residues pruned to eliminate duplicates Z: 10 2.826 1.523 0.530 0.238 0.556 0.111 CB 0.986 10 residues pruned to eliminate duplicates Z: 7 6.359 1.755 0.025 0.728 1.000 0.833 CA 1.175 7 residues pruned to eliminate duplicates Z: 15 9.081 1.767 0.281 0.405 0.857 0.643 CA 1.381 15 residues pruned to eliminate duplicates Z: 11 9.750 1.897 0.389 0.610 0.800 0.700 CA 1.317 11 residues pruned to eliminate duplicates Z: 13 12.090 1.816 0.612 0.478 1.000 0.500 CA 1.219 20 residues pruned to eliminate duplicates Z: 8 5.519 1.828 0.166 0.538 1.000 0.857 CA 0.943 8 residues pruned to eliminate duplicates Z: 10 11.521 1.923 0.525 0.499 0.889 0.556 CA 1.474 12 residues pruned to eliminate duplicates Z: 6 3.988 1.729 0.511 0.435 1.000 0.400 CB 0.731 6 residues pruned to eliminate duplicates Z: 37 22.313 2.191 0.455 0.299 0.944 0.556 CA 1.545 37 residues pruned to eliminate duplicates Z: 28 21.985 2.238 0.564 0.294 0.926 0.444 CB 1.643 28 residues pruned to eliminate duplicates Z: 29 20.352 2.190 0.543 0.298 0.893 0.393 CB 1.599 29 residues pruned to eliminate duplicates Z: 27 21.908 2.269 0.615 0.306 0.885 0.462 CA 1.644 27 residues pruned to eliminate duplicates Z: 29 22.321 2.196 0.571 0.333 0.964 0.429 CA 1.522 29 residues pruned to eliminate duplicates Z: 27 23.520 2.271 0.523 0.378 0.885 0.462 CA 1.716 27 residues pruned to eliminate duplicates Z: 29 19.785 2.183 0.611 0.301 0.857 0.536 CA 1.548 29 residues pruned to eliminate duplicates Z: 28 21.030 2.221 0.520 0.328 0.889 0.519 CA 1.628 28 residues pruned to eliminate duplicates Z: 28 22.603 2.218 0.569 0.359 0.926 0.370 CA 1.572 28 residues pruned to eliminate duplicates Z: 28 18.993 2.210 0.552 0.281 0.852 0.444 CA 1.602 28 residues pruned to eliminate duplicates Z: 27 22.604 2.267 0.679 0.333 0.885 0.462 CA 1.580 27 residues pruned to eliminate duplicates Z: 7 5.577 1.646 0.559 0.321 0.833 0.500 O 1.296 7 residues pruned to eliminate duplicates Z: 28 21.723 2.218 0.651 0.292 0.889 0.444 CA 1.622 28 residues pruned to eliminate duplicates Z: 15 12.831 2.191 0.458 0.365 0.857 0.357 CA 1.447 15 residues pruned to eliminate duplicates Z: 16 15.622 2.218 0.499 0.364 0.933 0.600 CA 1.505 16 residues pruned to eliminate duplicates Z: 28 18.956 2.241 0.539 0.256 0.889 0.481 CA 1.575 27 residues pruned to eliminate duplicates Z: 6 3.148 1.456 0.336 0.356 1.000 0.200 CA 0.845 6 residues pruned to eliminate duplicates Z: 27 16.394 2.155 0.351 0.339 0.923 0.500 CB 1.427 27 residues pruned to eliminate duplicates Z: 32 18.568 2.131 0.240 0.359 0.903 0.516 CB 1.626 32 residues pruned to eliminate duplicates Z: 40 20.118 2.146 0.377 0.324 0.846 0.538 CB 1.563 40 residues pruned to eliminate duplicates Z: 30 11.736 2.068 0.283 0.298 0.759 0.483 CB 1.356 30 residues pruned to eliminate duplicates Z: 29 16.814 2.160 0.305 0.358 0.893 0.464 CB 1.472 29 residues pruned to eliminate duplicates Z: 25 12.932 1.948 0.395 0.366 0.792 0.417 CB 1.416 25 residues pruned to eliminate duplicates Z: 35 14.400 1.968 0.357 0.385 0.824 0.500 CB 1.268 35 residues pruned to eliminate duplicates Z: 57 25.426 2.172 0.418 0.298 0.893 0.429 CB 1.548 57 residues pruned to eliminate duplicates Z: 51 25.971 2.156 0.509 0.333 0.860 0.460 CA 1.576 51 residues pruned to eliminate duplicates Z: 29 13.115 2.133 0.248 0.330 0.821 0.500 CB 1.366 29 residues pruned to eliminate duplicates Z: 20 13.650 2.062 0.221 0.432 0.895 0.632 CB 1.491 20 residues pruned to eliminate duplicates Z: 39 17.645 2.062 0.394 0.291 0.868 0.395 CB 1.450 39 residues pruned to eliminate duplicates Z: 31 13.191 2.063 0.315 0.302 0.833 0.433 CB 1.328 31 residues pruned to eliminate duplicates Z: 56 25.513 2.165 0.496 0.283 0.855 0.418 CB 1.588 57 residues pruned to eliminate duplicates 6 1.816 1.451 0.026 0.229 0.800 0.400 CB 0.936 ? Z: 8 4.764 1.420 0.308 0.406 0.857 0.286 CA 1.248 8 residues pruned to eliminate duplicates Z: 19 8.895 2.041 0.163 0.346 0.778 0.444 CB 1.342 19 residues pruned to eliminate duplicates Z: 23 9.893 2.077 0.226 0.303 0.727 0.318 CB 1.418 21 residues pruned to eliminate duplicates Z: 7 5.969 1.825 0.532 0.336 1.000 0.500 CB 1.043 7 residues pruned to eliminate duplicates Z: 27 10.988 1.933 0.277 0.364 0.885 0.423 CB 1.142 27 residues pruned to eliminate duplicates Z: 29 14.513 2.095 0.187 0.344 0.893 0.464 CB 1.464 29 residues pruned to eliminate duplicates Z: 36 15.245 2.096 0.289 0.318 0.829 0.486 CB 1.408 36 residues pruned to eliminate duplicates Z: 34 11.882 1.958 0.432 0.284 0.788 0.424 CB 1.194 34 residues pruned to eliminate duplicates Z: 18 7.583 2.064 0.196 0.314 0.706 0.353 CB 1.296 18 residues pruned to eliminate duplicates Z: 36 14.331 2.049 0.243 0.358 0.800 0.514 CB 1.386 36 residues pruned to eliminate duplicates Z: 11 5.237 2.094 0.174 0.266 0.800 0.400 CB 1.099 11 residues pruned to eliminate duplicates Z: 36 15.573 2.041 0.332 0.316 0.857 0.400 CB 1.385 36 residues pruned to eliminate duplicates Z: 17 7.025 1.992 0.222 0.312 0.750 0.500 CB 1.184 17 residues pruned to eliminate duplicates Z: 29 30.347 2.135 0.656 0.619 0.893 0.607 CA 1.623 23 residues pruned to eliminate duplicates Z: 6 5.202 1.389 0.868 0.452 1.000 0.600 CA 0.941 6 residues pruned to eliminate duplicates Z: 44 36.540 2.199 0.388 0.665 0.977 0.721 CA 1.604 44 residues pruned to eliminate duplicates Z: 41 37.633 2.263 0.403 0.707 0.975 0.825 CA 1.593 41 residues pruned to eliminate duplicates Z: 71 49.391 2.245 0.474 0.618 0.971 0.629 CB 1.643 71 residues pruned to eliminate duplicates Z: 36 34.831 2.099 0.634 0.631 1.000 0.600 CA 1.518 36 residues pruned to eliminate duplicates Z: 44 37.033 2.240 0.400 0.683 0.930 0.605 CB 1.636 44 residues pruned to eliminate duplicates Z: 23 23.686 2.170 0.689 0.558 0.909 0.636 CA 1.432 23 residues pruned to eliminate duplicates Z: 68 38.267 2.175 0.446 0.552 0.940 0.612 CB 1.503 68 residues pruned to eliminate duplicates Z: 22 25.137 2.187 0.657 0.542 0.905 0.667 CB 1.606 22 residues pruned to eliminate duplicates Z: 73 47.814 2.204 0.554 0.608 0.931 0.639 CB 1.595 73 residues pruned to eliminate duplicates Z: 31 30.779 2.110 0.615 0.659 0.933 0.533 CA 1.525 31 residues pruned to eliminate duplicates Z: 50 33.887 2.094 0.519 0.623 0.898 0.531 CA 1.510 50 residues pruned to eliminate duplicates Z: 38 38.957 2.200 0.593 0.689 0.973 0.622 CA 1.580 38 residues pruned to eliminate duplicates Z: 91 37.916 2.168 0.433 0.409 0.889 0.500 CA 1.592 91 residues pruned to eliminate duplicates Z: 75 50.471 2.161 0.549 0.606 0.986 0.581 CB 1.607 75 residues pruned to eliminate duplicates Z: 39 38.227 2.208 0.613 0.641 0.947 0.658 CA 1.610 39 residues pruned to eliminate duplicates Z: 78 45.800 2.174 0.510 0.603 0.935 0.558 CB 1.541 78 residues pruned to eliminate duplicates Z: 22 35.045 2.243 0.611 0.857 0.857 0.381 CA 1.820 22 residues pruned to eliminate duplicates Z: 36 27.686 2.118 0.575 0.530 0.914 0.543 CA 1.489 36 residues pruned to eliminate duplicates Z: 33 35.508 2.166 0.745 0.671 0.938 0.500 CA 1.513 33 residues pruned to eliminate duplicates Z: 29 37.234 2.244 0.711 0.741 0.964 0.607 CA 1.531 29 residues pruned to eliminate duplicates Z: 43 45.285 2.226 0.635 0.692 0.976 0.595 CA 1.651 43 residues pruned to eliminate duplicates Z: 42 45.884 2.243 0.676 0.732 0.951 0.707 CA 1.626 42 residues pruned to eliminate duplicates Z: 56 40.731 2.174 0.602 0.598 0.964 0.582 CB 1.490 56 residues pruned to eliminate duplicates Z: 16 14.896 2.296 0.121 0.588 0.933 0.533 CB 1.471 16 residues pruned to eliminate duplicates Z: 40 31.254 2.113 0.462 0.575 0.974 0.538 CB 1.546 40 residues pruned to eliminate duplicates Z: 51 28.315 2.103 0.519 0.483 0.860 0.440 CB 1.482 51 residues pruned to eliminate duplicates Z: 73 46.320 2.201 0.655 0.560 0.917 0.458 CB 1.542 73 residues pruned to eliminate duplicates Z: 12 20.067 2.175 0.388 0.779 1.000 0.636 CB 1.567 12 residues pruned to eliminate duplicates Z: 44 37.645 2.211 0.524 0.639 0.977 0.581 CB 1.532 44 residues pruned to eliminate duplicates Z: 49 27.063 2.155 0.552 0.482 0.854 0.479 CB 1.392 49 residues pruned to eliminate duplicates Z: 19 13.618 2.120 0.316 0.471 0.889 0.389 CB 1.333 19 residues pruned to eliminate duplicates Z: 61 40.115 2.224 0.522 0.539 0.967 0.467 CB 1.522 61 residues pruned to eliminate duplicates Z: 17 16.919 2.225 0.382 0.554 0.875 0.500 CB 1.492 17 residues pruned to eliminate duplicates Z: 43 41.656 2.259 0.543 0.666 0.952 0.524 CA 1.660 43 residues pruned to eliminate duplicates Z: 50 29.189 2.163 0.520 0.488 0.918 0.490 CB 1.398 50 residues pruned to eliminate duplicates Z: 12 11.434 2.094 0.180 0.795 0.909 0.455 CB 1.185 12 residues pruned to eliminate duplicates Z: 63 45.309 2.255 0.563 0.623 0.952 0.532 CB 1.528 63 residues pruned to eliminate duplicates Z: 73 44.514 2.191 0.602 0.567 0.903 0.472 CB 1.551 73 residues pruned to eliminate duplicates Z: 46 29.242 2.221 0.485 0.488 0.889 0.467 CB 1.505 46 residues pruned to eliminate duplicates Z: 51 25.564 2.131 0.544 0.458 0.840 0.400 CB 1.366 51 residues pruned to eliminate duplicates Z: 7 4.379 1.729 0.408 0.311 0.667 0.667 N 1.358 7 residues pruned to eliminate duplicates Z: 48 28.312 2.165 0.473 0.498 0.894 0.511 CB 1.453 48 residues pruned to eliminate duplicates Z: 23 16.513 2.224 0.470 0.287 0.909 0.545 CB 1.505 23 residues pruned to eliminate duplicates Z: 32 22.850 2.143 0.683 0.440 0.903 0.452 CB 1.340 32 residues pruned to eliminate duplicates Z: 93 49.273 2.195 0.603 0.531 0.913 0.489 CB 1.551 93 residues pruned to eliminate duplicates Z: 74 51.628 2.189 0.666 0.622 0.959 0.644 CB 1.540 74 residues pruned to eliminate duplicates Z: 6 6.811 1.840 0.571 0.406 0.800 0.400 CA 1.454 6 residues pruned to eliminate duplicates Z: 66 38.411 2.171 0.533 0.504 0.954 0.446 CB 1.495 66 residues pruned to eliminate duplicates Z: 47 26.625 2.188 0.342 0.487 0.913 0.391 CB 1.483 47 residues pruned to eliminate duplicates Z: 56 34.509 2.215 0.548 0.525 0.891 0.436 CB 1.486 56 residues pruned to eliminate duplicates Z: 73 45.345 2.192 0.615 0.581 0.931 0.528 CB 1.502 73 residues pruned to eliminate duplicates Z: 12 15.877 2.003 0.383 0.721 0.909 0.455 CA 1.556 12 residues pruned to eliminate duplicates Z: 71 42.650 2.171 0.603 0.549 0.900 0.429 CB 1.551 71 residues pruned to eliminate duplicates Z: 46 29.634 2.196 0.643 0.485 0.911 0.400 CB 1.364 46 residues pruned to eliminate duplicates Z: 14 17.536 2.023 0.481 0.596 1.000 0.462 CB 1.481 14 residues pruned to eliminate duplicates Z: 38 22.871 2.108 0.473 0.518 0.811 0.432 CB 1.467 38 residues pruned to eliminate duplicates Z: 9 22.133 1.988 0.683 0.822 1.000 0.500 CB 1.770 9 residues pruned to eliminate duplicates Z: 10 14.772 2.016 0.650 0.789 0.778 0.333 CA 1.478 10 residues pruned to eliminate duplicates Z: 73 49.895 2.184 0.671 0.589 0.958 0.486 CB 1.545 73 residues pruned to eliminate duplicates Z: 73 47.478 2.177 0.625 0.592 0.958 0.500 CB 1.511 73 residues pruned to eliminate duplicates Z: 12 8.441 1.959 0.377 0.273 1.000 0.273 CB 1.221 11 residues pruned to eliminate duplicates Z: 7 3.764 1.226 0.824 0.481 1.000 0.833 CA 0.701 7 residues pruned to eliminate duplicates Z: 10 10.507 2.042 0.254 0.506 0.889 0.333 CB 1.529 10 residues pruned to eliminate duplicates Z: 14 8.396 1.747 0.429 0.419 0.769 0.308 N 1.319 14 residues pruned to eliminate duplicates Z: 13 9.619 1.798 0.473 0.331 0.917 0.167 CA 1.376 12 residues pruned to eliminate duplicates Z: 8 6.594 1.634 0.107 0.646 1.000 0.571 CB 1.203 6 residues pruned to eliminate duplicates Z: 6 2.402 1.764 0.126 0.584 0.800 0.000 CB 0.623 6 residues pruned to eliminate duplicates Z: 16 11.752 1.789 0.383 0.528 1.000 0.467 CB 1.193 15 residues pruned to eliminate duplicates Z: 7 10.040 2.026 0.354 0.651 1.000 0.667 CA 1.299 7 residues pruned to eliminate duplicates Z: 9 5.186 1.656 0.485 0.640 0.750 0.500 CA 0.872 9 residues pruned to eliminate duplicates Z: 9 10.019 1.904 0.434 0.507 1.000 0.500 CB 1.288 9 residues pruned to eliminate duplicates Z: 12 9.292 1.836 0.425 0.361 0.909 0.273 CB 1.369 9 residues pruned to eliminate duplicates Z: 9 8.595 1.979 0.348 0.413 1.000 0.500 CA 1.247 10 residues pruned to eliminate duplicates Z: 8 5.914 1.937 0.052 0.430 1.000 0.429 CA 1.179 8 residues pruned to eliminate duplicates Z: 12 6.696 1.894 0.135 0.298 0.818 0.364 CA 1.439 12 residues pruned to eliminate duplicates Z: 47 29.445 2.090 0.455 0.664 1.000 0.717 CA 1.227 47 residues pruned to eliminate duplicates Z: 10 10.111 2.066 0.452 0.513 0.889 0.667 CB 1.248 17 residues pruned to eliminate duplicates 6 1.852 1.413 0.844 0.238 1.000 0.400 CA 0.431 ? Z: 8 4.892 1.406 0.664 0.418 0.857 0.714 CB 1.005 8 residues pruned to eliminate duplicates Z: 8 12.892 2.089 0.732 0.494 1.000 0.714 CA 1.356 8 residues pruned to eliminate duplicates Z: 10 7.729 1.968 0.393 0.339 1.000 0.667 CB 1.120 10 residues pruned to eliminate duplicates Z: 34 13.998 1.890 0.383 0.570 0.909 0.606 CA 0.959 33 residues pruned to eliminate duplicates Z: 17 14.335 2.068 0.697 0.796 0.750 0.625 CA 1.050 17 residues pruned to eliminate duplicates Z: 50 26.225 1.989 0.478 0.604 0.898 0.571 CA 1.285 50 residues pruned to eliminate duplicates Z: 31 27.538 2.086 0.765 0.730 0.967 0.567 CA 1.149 31 residues pruned to eliminate duplicates Z: 16 11.771 2.004 0.491 0.473 1.000 0.467 CA 1.046 16 residues pruned to eliminate duplicates Z: 29 24.216 2.021 0.576 0.736 0.964 0.571 CA 1.206 30 residues pruned to eliminate duplicates Z: 18 23.610 2.129 0.975 0.904 0.941 0.588 CA 1.031 18 residues pruned to eliminate duplicates Z: 52 30.662 2.018 0.505 0.639 0.980 0.549 CA 1.266 44 residues pruned to eliminate duplicates Z: 18 15.919 2.069 0.574 0.907 0.882 0.588 CA 0.955 18 residues pruned to eliminate duplicates Z: 47 28.645 2.052 0.667 0.615 0.935 0.587 CA 1.184 47 residues pruned to eliminate duplicates Z: 32 21.855 1.991 0.553 0.637 0.935 0.677 CA 1.193 32 residues pruned to eliminate duplicates Z: 28 17.906 1.985 0.665 0.641 0.926 0.593 CA 0.988 28 residues pruned to eliminate duplicates Z: 50 29.273 2.019 0.641 0.653 0.959 0.633 CA 1.141 50 residues pruned to eliminate duplicates Z: 28 21.918 2.033 0.729 0.661 0.852 0.778 CA 1.213 28 residues pruned to eliminate duplicates Z: 29 16.023 1.896 0.658 0.592 0.857 0.536 CA 1.029 29 residues pruned to eliminate duplicates Z: 30 18.554 1.934 0.590 0.580 0.897 0.517 CA 1.157 30 residues pruned to eliminate duplicates Z: 18 13.410 2.030 0.525 0.731 0.941 0.882 CA 0.906 18 residues pruned to eliminate duplicates Z: 33 22.384 2.018 0.655 0.620 0.938 0.625 CA 1.128 36 residues pruned to eliminate duplicates Z: 19 23.895 2.032 0.859 0.877 1.000 0.611 CA 1.083 19 residues pruned to eliminate duplicates Z: 29 23.047 2.028 0.568 0.640 0.929 0.536 CA 1.293 29 residues pruned to eliminate duplicates Z: 36 21.643 2.017 0.691 0.635 0.857 0.543 CA 1.103 36 residues pruned to eliminate duplicates Z: 35 23.297 2.014 0.693 0.634 0.912 0.618 CA 1.134 35 residues pruned to eliminate duplicates Z: 33 26.548 2.075 0.743 0.702 0.969 0.656 CA 1.114 33 residues pruned to eliminate duplicates Z: 17 18.478 2.037 0.945 0.697 0.938 0.562 CA 1.039 17 residues pruned to eliminate duplicates Z: 40 29.706 2.061 0.689 0.704 0.949 0.462 CA 1.196 40 residues pruned to eliminate duplicates Z: 50 33.986 2.041 0.651 0.671 1.000 0.551 CA 1.230 49 residues pruned to eliminate duplicates Z: 14 17.572 2.119 0.344 0.772 1.000 0.846 CA 1.345 14 residues pruned to eliminate duplicates Z: 52 28.005 2.011 0.642 0.587 0.882 0.471 CA 1.239 52 residues pruned to eliminate duplicates Z: 17 15.857 2.059 0.361 0.650 0.938 0.562 CA 1.312 17 residues pruned to eliminate duplicates Z: 12 17.709 2.128 0.511 0.811 0.909 0.545 CA 1.393 12 residues pruned to eliminate duplicates Z: 48 30.503 2.062 0.638 0.642 0.979 0.574 CA 1.178 48 residues pruned to eliminate duplicates Z: 35 25.043 2.049 0.774 0.686 0.941 0.618 CA 1.059 35 residues pruned to eliminate duplicates Z: 15 17.497 2.181 0.366 0.624 1.000 0.571 CB 1.396 15 residues pruned to eliminate duplicates Z: 16 15.523 2.132 0.447 0.619 1.000 0.533 CA 1.161 16 residues pruned to eliminate duplicates Z: 53 25.313 1.985 0.636 0.567 0.808 0.481 CA 1.254 53 residues pruned to eliminate duplicates Z: 49 28.305 2.057 0.497 0.616 0.917 0.562 CA 1.297 49 residues pruned to eliminate duplicates Z: 16 19.040 2.148 0.608 0.656 1.000 0.600 CA 1.231 16 residues pruned to eliminate duplicates Z: 16 17.482 2.142 0.383 0.687 1.000 0.667 CA 1.283 16 residues pruned to eliminate duplicates Z: 71 36.394 2.077 0.496 0.530 0.929 0.586 CA 1.463 81 residues pruned to eliminate duplicates Z: 6 2.962 1.683 -0.018 0.438 0.800 0.400 N 1.069 Z: 8 7.370 1.659 1.077 0.469 0.857 0.571 CA 0.973 Z: 7 8.409 1.640 1.340 0.507 0.833 0.667 CA 1.066 6 residues pruned to eliminate duplicates Z: 8 6.073 1.759 0.344 0.500 0.857 0.571 CA 1.133 6 residues pruned to eliminate duplicates Z: 6 3.050 1.716 0.339 0.272 0.600 0.400 CA 1.282 6 residues pruned to eliminate duplicates Z: 52 33.472 2.140 0.406 0.492 0.961 0.647 CA 1.634 52 residues pruned to eliminate duplicates Z: 29 17.627 2.125 0.500 0.301 0.821 0.429 CB 1.588 29 residues pruned to eliminate duplicates Z: 64 37.272 2.069 0.543 0.521 0.921 0.635 CA 1.565 64 residues pruned to eliminate duplicates Z: 43 20.388 2.082 0.346 0.336 0.881 0.476 CA 1.525 43 residues pruned to eliminate duplicates Z: 68 34.707 2.024 0.519 0.483 0.910 0.552 CA 1.542 68 residues pruned to eliminate duplicates Z: 27 14.371 1.987 0.455 0.338 0.846 0.500 CA 1.374 38 residues pruned to eliminate duplicates Z: 48 35.707 2.132 0.611 0.578 0.872 0.745 CA 1.612 48 residues pruned to eliminate duplicates Z: 67 34.484 2.051 0.573 0.498 0.864 0.636 CB 1.527 67 residues pruned to eliminate duplicates Z: 44 36.316 2.118 0.609 0.598 0.907 0.628 CB 1.632 44 residues pruned to eliminate duplicates Z: 37 35.807 2.166 0.635 0.625 0.944 0.694 CB 1.586 37 residues pruned to eliminate duplicates Z: 60 37.739 2.112 0.602 0.491 0.915 0.559 CA 1.602 60 residues pruned to eliminate duplicates Z: 62 32.238 2.090 0.449 0.462 0.902 0.541 CA 1.571 62 residues pruned to eliminate duplicates Z: 42 32.255 2.117 0.507 0.566 0.976 0.610 CA 1.518 42 residues pruned to eliminate duplicates Z: 43 33.015 2.069 0.594 0.582 0.881 0.619 CA 1.622 43 residues pruned to eliminate duplicates Z: 57 35.955 2.103 0.570 0.526 0.911 0.607 CB 1.557 57 residues pruned to eliminate duplicates Z: 62 37.607 2.102 0.468 0.513 0.951 0.607 CA 1.620 63 residues pruned to eliminate duplicates Z: 6 4.869 1.733 0.515 0.389 0.800 0.600 CA 1.166 6 residues pruned to eliminate duplicates Z: 42 27.467 2.007 0.563 0.564 0.854 0.610 CA 1.506 42 residues pruned to eliminate duplicates Z: 55 34.404 2.130 0.524 0.501 0.907 0.704 CA 1.588 55 residues pruned to eliminate duplicates Z: 42 37.425 2.180 0.571 0.620 0.951 0.756 CA 1.602 42 residues pruned to eliminate duplicates Z: 43 29.786 2.053 0.411 0.589 0.881 0.643 CA 1.655 43 residues pruned to eliminate duplicates Z: 44 31.777 2.079 0.533 0.568 0.930 0.651 CA 1.530 44 residues pruned to eliminate duplicates Z: 38 30.068 2.079 0.505 0.625 0.919 0.649 CA 1.529 38 residues pruned to eliminate duplicates Z: 58 38.333 2.128 0.620 0.542 0.895 0.649 CA 1.581 58 residues pruned to eliminate duplicates Z: 39 31.644 2.044 0.556 0.631 0.921 0.579 CA 1.550 39 residues pruned to eliminate duplicates Z: 34 35.397 2.074 0.643 0.705 0.939 0.697 CA 1.598 34 residues pruned to eliminate duplicates Z: 65 39.055 2.067 0.728 0.500 0.891 0.562 CB 1.534 65 residues pruned to eliminate duplicates Z: 36 35.196 2.102 0.681 0.666 0.886 0.543 CB 1.630 36 residues pruned to eliminate duplicates Z: 61 41.499 2.118 0.666 0.529 0.933 0.550 CA 1.581 61 residues pruned to eliminate duplicates Z: 61 37.796 2.051 0.633 0.520 0.933 0.567 CB 1.529 61 residues pruned to eliminate duplicates Z: 26 29.582 2.052 0.798 0.744 0.880 0.560 CB 1.465 26 residues pruned to eliminate duplicates Z: 41 31.928 2.006 0.717 0.606 0.900 0.525 CA 1.473 41 residues pruned to eliminate duplicates Z: 37 37.035 2.049 0.737 0.654 0.944 0.556 CA 1.591 37 residues pruned to eliminate duplicates Z: 61 40.045 2.114 0.702 0.516 0.900 0.533 CA 1.572 61 residues pruned to eliminate duplicates Z: 60 40.674 2.070 0.742 0.527 0.898 0.475 CA 1.592 60 residues pruned to eliminate duplicates Z: 16 10.796 1.799 0.714 0.399 0.733 0.333 CB 1.371 16 residues pruned to eliminate duplicates Z: 63 38.765 2.117 0.675 0.512 0.871 0.500 CB 1.575 63 residues pruned to eliminate duplicates Z: 39 39.416 2.054 0.871 0.618 0.921 0.474 CA 1.616 38 residues pruned to eliminate duplicates Z: 23 24.157 2.067 0.663 0.826 0.727 0.182 CB 1.554 23 residues pruned to eliminate duplicates Z: 40 37.172 2.067 0.817 0.619 0.897 0.487 CB 1.579 40 residues pruned to eliminate duplicates Z: 15 9.706 1.825 0.700 0.414 0.643 0.286 CA 1.423 15 residues pruned to eliminate duplicates Z: 41 33.240 1.973 0.720 0.598 0.900 0.375 CB 1.567 40 residues pruned to eliminate duplicates Z: 6 3.436 1.449 0.156 0.470 1.000 1.000 C 0.946 6 residues pruned to eliminate duplicates Z: 28 27.706 2.163 0.305 0.711 1.000 0.778 CB 1.559 28 residues pruned to eliminate duplicates Z: 35 31.405 2.115 0.641 0.628 0.912 0.676 CB 1.509 35 residues pruned to eliminate duplicates Z: 30 29.531 2.141 0.478 0.664 0.931 0.690 CA 1.599 30 residues pruned to eliminate duplicates Z: 30 33.822 2.176 0.591 0.690 0.966 0.621 CB 1.579 30 residues pruned to eliminate duplicates Z: 35 25.535 2.160 0.310 0.582 0.882 0.500 CA 1.621 35 residues pruned to eliminate duplicates Z: 29 34.070 2.220 0.461 0.725 1.000 0.679 CB 1.621 29 residues pruned to eliminate duplicates Z: 34 32.955 2.173 0.632 0.620 0.939 0.545 CB 1.538 34 residues pruned to eliminate duplicates Z: 25 26.818 2.133 0.708 0.756 0.875 0.667 CB 1.368 25 residues pruned to eliminate duplicates Z: 31 39.209 2.180 0.722 0.675 0.967 0.633 CB 1.678 30 residues pruned to eliminate duplicates Z: 20 26.079 2.213 0.482 0.896 1.000 0.579 CB 1.307 20 residues pruned to eliminate duplicates Z: 30 31.808 2.146 0.558 0.689 0.897 0.552 CA 1.657 30 residues pruned to eliminate duplicates Z: 31 31.917 2.135 0.541 0.668 0.967 0.633 CB 1.568 31 residues pruned to eliminate duplicates Z: 32 31.147 2.185 0.521 0.682 0.935 0.548 CB 1.523 32 residues pruned to eliminate duplicates Z: 36 30.365 2.111 0.623 0.647 0.886 0.543 CA 1.474 36 residues pruned to eliminate duplicates Z: 27 35.493 2.227 0.677 0.753 0.923 0.692 CB 1.612 27 residues pruned to eliminate duplicates Z: 36 34.843 2.101 0.616 0.623 0.943 0.514 CB 1.638 36 residues pruned to eliminate duplicates Z: 35 33.312 2.143 0.642 0.617 0.941 0.588 CB 1.545 35 residues pruned to eliminate duplicates Z: 19 30.358 2.280 0.828 0.914 0.944 0.500 CB 1.286 19 residues pruned to eliminate duplicates Z: 33 34.374 2.204 0.661 0.636 0.906 0.562 CB 1.613 33 residues pruned to eliminate duplicates Z: 30 32.199 2.115 0.690 0.699 0.897 0.552 CB 1.557 30 residues pruned to eliminate duplicates Z: 31 30.536 2.134 0.495 0.672 0.900 0.500 CA 1.657 31 residues pruned to eliminate duplicates Z: 27 28.165 2.111 0.682 0.675 0.923 0.423 CB 1.434 27 residues pruned to eliminate duplicates Z: 30 35.485 2.184 0.589 0.695 1.000 0.448 CA 1.588 30 residues pruned to eliminate duplicates Z: 34 34.102 2.119 0.636 0.658 0.970 0.606 CB 1.524 33 residues pruned to eliminate duplicates Z: 6 8.538 1.939 0.631 0.780 1.000 0.800 CA 0.943 6 residues pruned to eliminate duplicates Z: 33 15.773 1.975 0.290 0.375 0.812 0.375 CB 1.539 33 residues pruned to eliminate duplicates Z: 24 14.082 2.015 0.290 0.369 0.870 0.304 CB 1.496 24 residues pruned to eliminate duplicates Z: 26 13.084 1.993 0.186 0.378 0.880 0.400 CB 1.432 26 residues pruned to eliminate duplicates Z: 24 14.562 2.006 0.474 0.329 0.826 0.478 CB 1.499 24 residues pruned to eliminate duplicates Z: 34 17.933 1.969 0.380 0.368 0.879 0.424 CB 1.506 40 residues pruned to eliminate duplicates Z: 6 2.153 1.407 0.689 0.323 0.600 0.400 C 0.820 6 residues pruned to eliminate duplicates Z: 24 13.062 1.924 0.363 0.362 0.826 0.348 CB 1.459 24 residues pruned to eliminate duplicates Z: 23 12.269 1.938 0.289 0.333 0.864 0.318 CB 1.455 23 residues pruned to eliminate duplicates Z: 34 16.686 1.970 0.334 0.350 0.879 0.455 CB 1.480 34 residues pruned to eliminate duplicates Z: 25 14.393 1.992 0.279 0.359 0.875 0.458 CB 1.534 25 residues pruned to eliminate duplicates Z: 24 11.503 1.960 0.407 0.294 0.783 0.391 CB 1.399 24 residues pruned to eliminate duplicates Z: 13 7.997 2.001 0.352 0.265 0.750 0.417 CB 1.488 13 residues pruned to eliminate duplicates Z: 13 5.545 1.966 0.282 0.156 0.750 0.083 CB 1.291 13 residues pruned to eliminate duplicates Z: 27 12.695 1.985 0.246 0.326 0.846 0.346 CB 1.440 27 residues pruned to eliminate duplicates Z: 9 5.530 1.846 0.182 0.249 0.875 0.125 CA 1.368 9 residues pruned to eliminate duplicates Z: 27 11.776 1.930 0.332 0.311 0.808 0.500 CB 1.372 27 residues pruned to eliminate duplicates Z: 26 11.404 1.922 0.324 0.347 0.760 0.360 CB 1.393 26 residues pruned to eliminate duplicates Z: 19 10.029 1.872 0.266 0.317 0.778 0.611 CB 1.570 19 residues pruned to eliminate duplicates Z: 16 8.696 1.998 0.260 0.243 0.800 0.267 CB 1.500 16 residues pruned to eliminate duplicates Z: 14 8.995 1.885 0.382 0.358 0.769 0.538 CB 1.451 14 residues pruned to eliminate duplicates Z: 11 8.284 1.863 0.448 0.298 0.800 0.500 CB 1.523 11 residues pruned to eliminate duplicates Z: 12 7.058 1.882 0.313 0.382 0.727 0.455 CA 1.343 12 residues pruned to eliminate duplicates Z: 20 9.964 1.904 0.425 0.269 0.737 0.368 CA 1.486 20 residues pruned to eliminate duplicates Z: 6 2.487 1.417 0.079 0.363 1.000 0.800 CB 0.843 6 residues pruned to eliminate duplicates Z: 9 3.221 1.639 0.340 0.205 0.625 0.375 CA 1.177 8 residues pruned to eliminate duplicates Z: 7 8.957 1.794 0.576 0.394 1.000 0.500 CA 1.447 5 residues pruned to eliminate duplicates Z: 8 4.625 1.435 0.371 0.589 0.714 0.571 N 1.142 8 residues pruned to eliminate duplicates Z: 18 12.963 1.913 0.605 0.478 0.824 0.471 CB 1.271 18 residues pruned to eliminate duplicates Z: 20 8.328 1.742 0.568 0.353 0.684 0.421 CB 1.198 20 residues pruned to eliminate duplicates Z: 16 8.572 1.838 0.521 0.522 0.733 0.733 CB 1.057 16 residues pruned to eliminate duplicates Z: 19 13.838 1.875 0.466 0.497 0.944 0.444 CB 1.260 18 residues pruned to eliminate duplicates Z: 6 2.558 1.868 0.379 0.399 0.600 0.400 CB 0.823 6 residues pruned to eliminate duplicates Z: 19 7.378 1.806 0.501 0.419 0.667 0.444 CB 1.046 19 residues pruned to eliminate duplicates Z: 16 8.463 1.860 0.325 0.466 0.733 0.600 CB 1.253 16 residues pruned to eliminate duplicates Z: 16 8.712 1.924 0.496 0.467 0.733 0.600 CB 1.103 16 residues pruned to eliminate duplicates Z: 20 9.084 1.801 0.469 0.428 0.789 0.474 CB 1.074 20 residues pruned to eliminate duplicates Z: 16 7.930 1.868 0.438 0.441 0.667 0.400 CB 1.215 16 residues pruned to eliminate duplicates Z: 11 7.636 1.947 0.583 0.498 0.700 0.500 CB 1.121 11 residues pruned to eliminate duplicates Z: 64 37.562 1.997 0.672 0.558 0.873 0.587 CB 1.534 89 residues pruned to eliminate duplicates Z: 21 9.415 1.701 0.617 0.370 0.750 0.550 CB 1.173 Z: 6 3.591 1.515 0.176 0.730 1.000 0.800 N 0.733 5 residues pruned to eliminate duplicates Z: 17 12.523 2.201 0.164 0.422 0.812 0.500 CA 1.631 17 residues pruned to eliminate duplicates Z: 60 22.513 2.020 0.380 0.386 0.814 0.525 CB 1.459 60 residues pruned to eliminate duplicates Z: 18 14.866 2.180 0.302 0.436 0.824 0.588 CA 1.648 18 residues pruned to eliminate duplicates Z: 17 13.074 2.199 0.214 0.442 0.812 0.500 CA 1.599 17 residues pruned to eliminate duplicates Z: 59 22.965 2.034 0.313 0.362 0.862 0.552 CB 1.520 59 residues pruned to eliminate duplicates Z: 20 13.589 2.067 0.217 0.387 0.895 0.579 CA 1.561 20 residues pruned to eliminate duplicates Z: 39 16.652 2.085 0.302 0.278 0.763 0.500 CA 1.675 39 residues pruned to eliminate duplicates Z: 18 14.314 2.178 0.254 0.438 0.824 0.647 CA 1.645 18 residues pruned to eliminate duplicates Z: 17 14.127 2.193 0.274 0.436 0.812 0.625 CB 1.662 17 residues pruned to eliminate duplicates Z: 34 15.442 2.035 0.331 0.343 0.727 0.545 CA 1.619 34 residues pruned to eliminate duplicates Z: 18 13.350 2.120 0.238 0.410 0.882 0.529 CA 1.536 18 residues pruned to eliminate duplicates Z: 25 10.358 2.072 0.220 0.325 0.667 0.500 CB 1.521 25 residues pruned to eliminate duplicates Z: 21 11.760 2.131 0.185 0.369 0.750 0.450 N 1.597 21 residues pruned to eliminate duplicates Z: 13 14.416 2.242 0.314 0.546 0.917 0.667 CA 1.473 13 residues pruned to eliminate duplicates Z: 25 14.112 2.050 0.377 0.350 0.792 0.458 CB 1.517 25 residues pruned to eliminate duplicates Z: 34 16.604 2.100 0.379 0.346 0.727 0.394 CA 1.622 34 residues pruned to eliminate duplicates Z: 25 15.443 2.152 0.348 0.360 0.750 0.500 N 1.685 25 residues pruned to eliminate duplicates Z: 19 8.297 1.922 0.307 0.253 0.722 0.333 N 1.431 19 residues pruned to eliminate duplicates Z: 14 6.230 1.821 0.540 0.296 0.615 0.385 CB 1.258 14 residues pruned to eliminate duplicates Z: 15 6.394 1.766 0.444 0.271 0.714 0.286 CA 1.216 15 residues pruned to eliminate duplicates Z: 31 11.213 1.774 0.562 0.247 0.767 0.400 CA 1.289 31 residues pruned to eliminate duplicates Z: 35 16.227 1.937 0.302 0.366 0.941 0.529 CB 1.354 35 residues pruned to eliminate duplicates Z: 17 10.385 1.950 0.298 0.188 0.875 0.562 CA 1.703 17 residues pruned to eliminate duplicates Z: 21 9.448 1.864 0.299 0.146 0.950 0.600 CB 1.421 21 residues pruned to eliminate duplicates Z: 24 10.311 1.848 0.364 0.289 0.783 0.478 CB 1.381 24 residues pruned to eliminate duplicates Z: 16 10.894 1.903 0.502 0.244 0.867 0.467 CA 1.527 16 residues pruned to eliminate duplicates Z: 30 13.068 1.857 0.272 0.349 0.759 0.517 CB 1.595 30 residues pruned to eliminate duplicates Z: 16 11.243 1.920 0.411 0.301 0.800 0.600 CB 1.673 16 residues pruned to eliminate duplicates Z: 25 10.618 1.909 0.281 0.283 0.750 0.500 CA 1.509 25 residues pruned to eliminate duplicates Z: 31 11.571 1.817 0.407 0.362 0.700 0.567 CB 1.370 31 residues pruned to eliminate duplicates Z: 21 14.730 1.938 0.385 0.333 0.900 0.600 N 1.638 21 residues pruned to eliminate duplicates Z: 14 11.960 1.889 0.554 0.325 0.923 0.462 CA 1.485 14 residues pruned to eliminate duplicates 8 1.954 1.734 0.105 0.096 0.714 0.286 CA 0.906 ? Z: 24 11.821 1.932 0.354 0.265 0.783 0.435 CB 1.575 24 residues pruned to eliminate duplicates Z: 30 16.814 2.033 0.402 0.379 0.759 0.552 CA 1.642 30 residues pruned to eliminate duplicates Z: 33 17.508 2.000 0.290 0.352 0.875 0.625 CB 1.610 33 residues pruned to eliminate duplicates Z: 8 11.626 2.040 0.578 0.672 0.857 0.714 CA 1.359 8 residues pruned to eliminate duplicates Z: 28 18.255 2.041 0.221 0.508 0.926 0.593 CB 1.511 27 residues pruned to eliminate duplicates Z: 7 2.708 1.347 0.407 0.373 0.833 0.500 CB 0.802 7 residues pruned to eliminate duplicates Z: 14 14.344 2.031 0.417 0.384 0.923 0.538 CB 1.694 14 residues pruned to eliminate duplicates Z: 18 11.511 1.946 0.251 0.378 0.882 0.471 CB 1.480 18 residues pruned to eliminate duplicates Z: 17 12.412 2.007 0.276 0.402 0.938 0.438 CB 1.433 17 residues pruned to eliminate duplicates Z: 29 17.366 1.972 0.235 0.501 0.893 0.679 CB 1.508 29 residues pruned to eliminate duplicates Z: 25 20.400 2.019 0.302 0.549 0.958 0.667 CB 1.576 25 residues pruned to eliminate duplicates Z: 17 12.040 1.939 0.245 0.514 0.938 0.562 CB 1.311 17 residues pruned to eliminate duplicates 6 1.532 1.400 0.428 0.235 0.600 0.200 N 0.777 ? Z: 6 6.197 1.693 0.466 0.452 1.000 0.800 N 1.173 6 residues pruned to eliminate duplicates Z: 13 13.200 2.120 0.190 0.668 0.917 0.833 CB 1.411 14 residues pruned to eliminate duplicates Z: 13 17.028 2.129 0.292 0.682 1.000 0.917 CA 1.512 13 residues pruned to eliminate duplicates Z: 12 16.692 1.984 0.438 0.640 1.000 0.455 CB 1.549 10 residues pruned to eliminate duplicates Z: 6 4.081 1.577 0.748 0.413 0.800 0.800 CA 0.906 6 residues pruned to eliminate duplicates Z: 11 19.686 2.122 0.480 0.662 1.000 0.700 CB 1.706 11 residues pruned to eliminate duplicates Z: 6 6.015 1.918 0.194 0.290 1.000 0.400 CB 1.487 6 residues pruned to eliminate duplicates Z: 14 11.808 1.955 0.530 0.440 0.846 0.538 CB 1.377 15 residues pruned to eliminate duplicates Z: 6 3.762 1.758 -0.149 0.221 1.000 0.600 N 1.559 6 residues pruned to eliminate duplicates Z: 6 3.117 1.591 0.393 0.261 1.000 0.200 CA 0.826 Z: 6 6.919 1.736 0.525 0.504 1.000 0.400 N 1.164 Z: 8 7.556 2.067 0.174 0.487 0.857 0.571 CA 1.391 Z: 19 15.072 1.983 0.391 0.555 0.889 0.556 CA 1.372 11 residues pruned to eliminate duplicates Z: 11 11.443 1.848 0.495 0.643 1.000 0.700 CA 1.146 11 residues pruned to eliminate duplicates Z: 20 18.583 2.004 0.482 0.558 0.895 0.579 CA 1.516 54 residues pruned to eliminate duplicates Z: 10 19.975 1.863 1.248 0.815 1.000 0.667 CA 1.210 10 residues pruned to eliminate duplicates Z: 9 15.671 1.891 0.843 0.812 1.000 0.375 CA 1.212 9 residues pruned to eliminate duplicates Z: 18 19.525 2.073 0.508 0.610 0.941 0.529 CA 1.451 18 residues pruned to eliminate duplicates Z: 8 22.968 2.038 1.203 0.864 1.000 0.429 CA 1.417 8 residues pruned to eliminate duplicates Z: 21 14.795 1.962 0.456 0.539 0.850 0.500 CA 1.312 21 residues pruned to eliminate duplicates Z: 18 23.409 2.088 0.788 0.609 0.941 0.706 CA 1.458 18 residues pruned to eliminate duplicates 524 residues left after pruning, divided into chains as follows: A: 6 B: 6 C: 6 D: 10 E: 10 F: 18 G: 14 H: 11 I: 133 J: 16 K: 10 L: 100 M: 11 N: 29 O: 35 P: 21 Q: 35 R: 25 S: 11 T: 17 CC for partial structure against native data = 18.27 % ------------------------------------------------------------------------------ Global autotracing cycle 15 = 0.300, Contrast = 0.414, Connect. = 0.679 for dens.mod. cycle 1 = 0.300, Contrast = 0.478, Connect. = 0.702 for dens.mod. cycle 2 = 0.300, Contrast = 0.549, Connect. = 0.736 for dens.mod. cycle 3 = 0.300, Contrast = 0.557, Connect. = 0.742 for dens.mod. cycle 4 = 0.300, Contrast = 0.564, Connect. = 0.746 for dens.mod. cycle 5 = 0.300, Contrast = 0.569, Connect. = 0.750 for dens.mod. cycle 6 = 0.300, Contrast = 0.573, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.575, Connect. = 0.755 for dens.mod. cycle 8 = 0.300, Contrast = 0.577, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.577, Connect. = 0.758 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6822 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1190 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 18.348 2.208 0.464 0.848 0.917 0.833 CB 1.326 B: 23 25.481 2.123 0.496 0.883 0.955 0.773 CB 1.295 13 residues pruned to eliminate duplicates C: 22 32.486 2.146 0.373 0.902 1.000 0.762 CB 1.715 D: 23 18.551 2.183 0.515 0.542 0.818 0.500 CB 1.403 4 residues pruned to eliminate duplicates E: 19 15.076 2.004 0.364 0.502 0.944 0.667 CB 1.374 F: 22 36.482 2.235 0.563 0.889 1.000 0.476 CB 1.641 22 residues pruned to eliminate duplicates G: 19 13.413 2.089 0.135 0.504 0.889 0.667 CA 1.495 H: 20 28.624 2.123 0.539 0.907 1.000 0.737 CB 1.429 23 residues pruned to eliminate duplicates I: 23 32.276 2.119 0.549 0.887 0.909 0.682 CA 1.662 23 residues pruned to eliminate duplicates J: 10 11.024 2.113 0.288 0.517 0.778 0.556 CA 1.708 K: 12 6.539 1.598 1.075 0.347 0.727 0.455 CB 0.965 L: 23 28.013 2.092 0.351 0.853 0.955 0.818 CB 1.635 23 residues pruned to eliminate duplicates M: 17 18.242 2.026 0.491 0.547 1.000 0.688 CB 1.442 19 residues pruned to eliminate duplicates N: 22 31.510 2.186 0.396 0.885 0.952 0.714 CA 1.709 22 residues pruned to eliminate duplicates O: 16 19.891 2.206 0.291 0.829 0.867 0.667 CB 1.566 16 residues pruned to eliminate duplicates P: 12 6.057 1.900 0.522 0.353 0.636 0.455 CB 1.163 Q: 26 18.375 2.229 0.421 0.509 0.880 0.560 CB 1.306 22 residues pruned to eliminate duplicates R: 17 12.175 1.938 0.418 0.379 0.812 0.562 N 1.552 10 residues pruned to eliminate duplicates S: 23 30.092 2.119 0.373 0.903 1.000 0.864 CA 1.571 23 residues pruned to eliminate duplicates T: 18 24.389 2.174 0.551 0.849 0.882 0.647 CB 1.473 18 residues pruned to eliminate duplicates U: 14 12.503 1.990 0.418 0.472 0.846 0.615 CA 1.494 V: 22 31.330 2.228 0.306 0.879 1.000 0.810 CA 1.703 22 residues pruned to eliminate duplicates W: 13 15.265 2.041 0.413 0.763 0.917 0.583 CB 1.320 X: 21 37.911 2.303 0.477 0.896 1.000 0.700 CB 1.786 21 residues pruned to eliminate duplicates Y: 16 25.789 2.192 0.495 0.874 0.933 0.800 CA 1.585 17 residues pruned to eliminate duplicates Z: 30 25.951 2.118 0.191 0.716 1.000 0.759 CB 1.572 28 residues pruned to eliminate duplicates Z: 16 20.626 2.254 0.272 0.876 1.000 0.733 CB 1.349 16 residues pruned to eliminate duplicates Z: 11 20.708 1.996 0.626 0.892 1.000 0.600 CB 1.450 13 residues pruned to eliminate duplicates Z: 29 16.755 1.963 0.322 0.465 0.857 0.571 CB 1.475 18 residues pruned to eliminate duplicates Z: 23 24.978 2.122 0.200 0.876 0.955 0.818 CB 1.593 23 residues pruned to eliminate duplicates Z: 21 31.005 2.217 0.464 0.899 0.950 0.850 CA 1.608 21 residues pruned to eliminate duplicates Z: 22 27.803 2.180 0.300 0.877 0.952 0.476 CB 1.632 22 residues pruned to eliminate duplicates Z: 9 11.644 1.924 0.989 0.489 0.875 0.625 CA 1.244 Z: 23 33.015 1.979 0.628 0.898 1.000 0.818 CB 1.562 Z: 7 5.265 1.911 0.095 0.474 0.833 0.667 CB 1.266 Z: 22 32.778 2.207 0.483 0.891 0.952 0.762 CB 1.650 22 residues pruned to eliminate duplicates Z: 12 7.915 1.963 0.525 0.379 0.727 0.364 CB 1.247 12 residues pruned to eliminate duplicates Z: 22 24.117 2.197 0.337 0.833 1.000 0.667 CB 1.344 22 residues pruned to eliminate duplicates Z: 58 25.954 2.172 0.503 0.298 0.825 0.368 CB 1.600 12 residues pruned to eliminate duplicates Z: 52 36.327 2.224 0.528 0.576 0.902 0.510 CB 1.543 52 residues pruned to eliminate duplicates Z: 13 10.835 1.864 0.292 0.479 0.917 0.583 CA 1.448 14 residues pruned to eliminate duplicates Z: 13 7.635 2.111 0.094 0.384 0.750 0.500 CB 1.439 13 residues pruned to eliminate duplicates Z: 21 30.758 2.065 0.628 0.900 0.950 0.900 CA 1.539 21 residues pruned to eliminate duplicates Z: 23 38.494 2.113 0.805 0.903 0.955 0.591 CB 1.607 23 residues pruned to eliminate duplicates Z: 11 14.395 1.984 0.480 0.604 0.900 0.800 CB 1.560 Z: 22 19.107 2.089 0.195 0.826 0.952 0.619 CA 1.323 22 residues pruned to eliminate duplicates Z: 34 13.215 1.945 0.326 0.325 0.727 0.333 CB 1.487 Z: 73 51.741 2.214 0.637 0.614 0.958 0.583 CB 1.576 44 residues pruned to eliminate duplicates Z: 17 30.181 2.280 0.718 0.886 0.812 0.562 CB 1.710 17 residues pruned to eliminate duplicates Z: 19 25.850 2.088 0.529 0.853 0.889 0.778 CA 1.587 19 residues pruned to eliminate duplicates Z: 23 15.103 2.041 0.680 0.330 0.818 0.409 CB 1.384 Z: 19 28.891 2.216 0.751 0.918 1.000 0.667 CB 1.238 21 residues pruned to eliminate duplicates Z: 21 20.896 1.929 0.592 0.878 1.000 0.800 CA 1.104 Z: 11 8.083 1.763 0.788 0.386 0.800 0.400 CB 1.144 10 residues pruned to eliminate duplicates Z: 21 28.936 2.175 0.539 0.902 0.950 0.700 CA 1.451 19 residues pruned to eliminate duplicates Z: 9 9.102 1.956 0.874 0.450 0.750 0.500 CA 1.231 11 residues pruned to eliminate duplicates Z: 12 16.704 2.095 0.410 0.641 1.000 0.909 CB 1.494 14 residues pruned to eliminate duplicates Z: 22 31.535 2.148 0.734 0.939 1.000 0.571 CB 1.284 22 residues pruned to eliminate duplicates Z: 14 12.020 2.080 0.152 0.467 0.923 0.615 CA 1.559 14 residues pruned to eliminate duplicates Z: 23 23.291 2.132 0.387 0.849 0.955 0.727 CB 1.304 23 residues pruned to eliminate duplicates Z: 7 4.209 1.676 0.189 0.482 0.833 0.500 CB 1.053 Z: 20 12.760 1.943 0.262 0.414 0.842 0.579 CB 1.551 19 residues pruned to eliminate duplicates Z: 17 27.674 2.121 0.659 0.894 0.875 0.750 CB 1.612 15 residues pruned to eliminate duplicates Z: 6 5.882 1.909 0.544 0.427 0.600 0.600 CB 1.605 6 residues pruned to eliminate duplicates Z: 18 21.758 2.093 0.634 0.651 0.882 0.647 CB 1.518 18 residues pruned to eliminate duplicates Z: 22 37.819 2.198 0.628 0.912 0.952 0.619 CB 1.715 22 residues pruned to eliminate duplicates Z: 12 19.173 2.143 0.393 0.870 1.000 0.818 CB 1.414 11 residues pruned to eliminate duplicates Z: 13 18.178 1.945 0.581 0.836 1.000 0.667 CA 1.277 12 residues pruned to eliminate duplicates Z: 9 7.721 1.884 0.448 0.557 0.875 0.625 CA 1.082 Z: 12 12.287 1.885 0.509 0.443 1.000 0.727 N 1.382 Z: 10 16.459 2.044 0.595 0.632 0.889 0.778 CB 1.672 11 residues pruned to eliminate duplicates Z: 14 18.173 2.076 0.503 0.640 1.000 0.769 CB 1.416 17 residues pruned to eliminate duplicates Z: 12 13.669 2.046 0.159 0.813 1.000 0.727 CB 1.324 12 residues pruned to eliminate duplicates Z: 21 22.704 2.119 0.617 0.840 0.800 0.450 CB 1.383 21 residues pruned to eliminate duplicates Z: 12 6.253 1.909 0.321 0.442 0.545 0.545 CA 1.455 12 residues pruned to eliminate duplicates Z: 21 41.448 2.280 0.719 0.907 0.950 0.500 CB 1.770 21 residues pruned to eliminate duplicates Z: 14 28.103 2.251 0.507 0.911 1.000 0.923 CA 1.628 14 residues pruned to eliminate duplicates Z: 9 12.600 1.984 0.317 0.863 0.875 0.875 CA 1.429 9 residues pruned to eliminate duplicates Z: 11 13.145 2.208 0.589 0.784 0.800 0.400 CB 1.153 11 residues pruned to eliminate duplicates Z: 21 8.876 1.854 0.569 0.375 0.700 0.500 CB 1.113 5 residues pruned to eliminate duplicates Z: 21 32.583 2.083 0.630 0.911 0.950 0.650 CB 1.601 21 residues pruned to eliminate duplicates Z: 37 18.678 2.127 0.359 0.344 0.806 0.472 CA 1.584 37 residues pruned to eliminate duplicates Z: 21 32.299 2.319 0.755 0.858 0.750 0.650 CB 1.743 21 residues pruned to eliminate duplicates Z: 13 11.251 1.911 0.198 0.518 0.917 0.583 CB 1.520 11 residues pruned to eliminate duplicates Z: 9 11.613 1.896 0.506 0.634 1.000 0.750 CB 1.267 8 residues pruned to eliminate duplicates Z: 11 15.665 2.200 0.014 0.887 1.000 0.900 CB 1.601 11 residues pruned to eliminate duplicates Z: 14 7.265 1.815 0.318 0.278 0.846 0.385 CB 1.280 10 residues pruned to eliminate duplicates Z: 11 24.768 2.180 0.763 0.845 0.900 0.600 CB 1.683 11 residues pruned to eliminate duplicates Z: 18 28.479 2.241 0.457 0.852 1.000 0.706 CB 1.564 18 residues pruned to eliminate duplicates Z: 12 13.424 1.885 0.342 0.592 0.909 0.727 N 1.612 Z: 12 8.245 1.756 0.709 0.441 0.727 0.545 CB 1.210 Z: 19 11.556 1.857 0.347 0.427 0.833 0.389 CA 1.410 25 residues pruned to eliminate duplicates Z: 26 18.022 2.253 0.510 0.317 0.840 0.400 CA 1.544 26 residues pruned to eliminate duplicates Z: 27 24.617 2.263 0.668 0.315 0.962 0.462 CA 1.633 27 residues pruned to eliminate duplicates Z: 8 13.244 2.063 0.890 0.827 0.857 0.857 CA 1.128 8 residues pruned to eliminate duplicates Z: 22 33.598 2.195 0.705 0.828 0.857 0.333 CB 1.721 22 residues pruned to eliminate duplicates Z: 13 13.785 2.094 0.176 0.654 1.000 0.917 CB 1.400 12 residues pruned to eliminate duplicates Z: 10 13.505 1.877 0.356 0.848 1.000 0.778 CA 1.313 10 residues pruned to eliminate duplicates Z: 7 4.941 1.800 0.064 0.515 1.000 0.500 CB 1.038 Z: 17 9.129 1.690 0.797 0.314 0.812 0.375 CA 1.136 8 residues pruned to eliminate duplicates Z: 18 28.767 2.265 0.717 0.879 0.882 0.588 CB 1.474 18 residues pruned to eliminate duplicates Z: 11 16.058 2.105 0.267 0.881 1.000 0.800 CB 1.379 11 residues pruned to eliminate duplicates Z: 7 5.693 1.569 0.306 0.642 0.833 0.667 CB 1.192 Z: 6 6.280 1.915 -0.149 0.773 1.000 0.600 CB 1.354 Z: 24 14.457 1.996 0.314 0.383 0.870 0.478 CB 1.497 24 residues pruned to eliminate duplicates Z: 26 13.451 2.013 0.479 0.316 0.840 0.480 CB 1.318 26 residues pruned to eliminate duplicates Z: 16 14.691 1.940 0.538 0.583 1.000 0.667 CB 1.174 16 residues pruned to eliminate duplicates Z: 18 29.053 2.130 0.537 0.916 1.000 0.647 CB 1.520 18 residues pruned to eliminate duplicates Z: 11 10.331 1.914 0.468 0.327 0.900 0.600 CB 1.562 Z: 10 13.063 2.208 -0.139 0.888 1.000 0.889 CB 1.649 10 residues pruned to eliminate duplicates Z: 21 29.123 2.063 0.439 0.893 1.000 0.900 CA 1.575 21 residues pruned to eliminate duplicates Z: 28 17.833 2.095 0.371 0.430 0.963 0.519 CB 1.335 28 residues pruned to eliminate duplicates Z: 9 9.665 2.061 0.247 0.704 0.875 0.875 CA 1.262 9 residues pruned to eliminate duplicates Z: 8 8.798 1.833 0.629 0.618 0.857 0.571 CB 1.162 8 residues pruned to eliminate duplicates Z: 28 15.073 1.941 0.512 0.361 0.852 0.444 CB 1.347 28 residues pruned to eliminate duplicates Z: 10 12.916 2.081 0.262 0.652 1.000 0.889 CB 1.423 11 residues pruned to eliminate duplicates Z: 13 7.895 1.946 0.530 0.385 0.583 0.500 CA 1.483 13 residues pruned to eliminate duplicates Z: 29 14.680 1.910 0.381 0.370 0.893 0.393 CB 1.354 29 residues pruned to eliminate duplicates Z: 20 25.090 2.215 0.538 0.878 0.895 0.684 CB 1.371 20 residues pruned to eliminate duplicates Z: 75 47.581 2.166 0.616 0.595 0.946 0.486 CB 1.525 75 residues pruned to eliminate duplicates Z: 16 21.982 2.275 0.279 0.912 1.000 0.733 CB 1.381 16 residues pruned to eliminate duplicates Z: 21 32.289 2.022 0.928 0.905 0.800 0.350 CA 1.648 21 residues pruned to eliminate duplicates Z: 11 15.322 1.967 0.685 0.867 1.000 0.800 CA 1.070 11 residues pruned to eliminate duplicates Z: 15 6.635 1.868 0.377 0.323 0.786 0.429 CB 1.066 15 residues pruned to eliminate duplicates Z: 10 13.140 1.899 0.260 0.828 0.889 0.556 CB 1.550 10 residues pruned to eliminate duplicates Z: 9 9.946 2.200 0.283 0.432 0.875 0.375 CB 1.527 9 residues pruned to eliminate duplicates Z: 21 19.858 1.906 0.753 0.858 0.850 0.750 CA 1.151 21 residues pruned to eliminate duplicates Z: 6 12.518 2.152 0.367 0.582 1.000 0.600 C 1.758 6 residues pruned to eliminate duplicates Z: 72 38.567 2.146 0.557 0.552 0.887 0.507 CB 1.467 72 residues pruned to eliminate duplicates Z: 14 12.250 2.163 0.279 0.360 0.923 0.462 CA 1.546 14 residues pruned to eliminate duplicates Z: 11 13.766 2.061 0.400 0.734 0.800 0.500 CA 1.529 11 residues pruned to eliminate duplicates Z: 28 13.482 1.916 0.477 0.377 0.815 0.407 CB 1.283 28 residues pruned to eliminate duplicates Z: 22 36.560 2.063 0.703 0.894 1.000 0.524 CB 1.629 22 residues pruned to eliminate duplicates Z: 32 20.909 2.028 0.241 0.680 0.968 0.839 CB 1.307 32 residues pruned to eliminate duplicates Z: 19 18.636 2.019 0.532 0.818 0.944 0.611 CA 1.141 19 residues pruned to eliminate duplicates Z: 19 15.280 1.981 0.374 0.517 1.000 0.667 CB 1.302 19 residues pruned to eliminate duplicates Z: 45 18.195 2.002 0.459 0.320 0.773 0.477 CB 1.482 45 residues pruned to eliminate duplicates Z: 21 9.930 2.029 0.118 0.414 0.750 0.450 CB 1.428 21 residues pruned to eliminate duplicates Z: 9 8.090 1.969 0.213 0.705 0.875 0.750 CA 1.137 9 residues pruned to eliminate duplicates Z: 11 11.669 1.961 0.503 0.539 0.900 0.700 CA 1.338 Z: 35 31.895 2.040 0.589 0.676 0.971 0.794 CA 1.478 25 residues pruned to eliminate duplicates Z: 12 12.250 1.931 0.416 0.504 1.000 0.455 CA 1.346 11 residues pruned to eliminate duplicates Z: 46 25.104 2.103 0.450 0.373 0.933 0.467 CA 1.507 46 residues pruned to eliminate duplicates Z: 17 15.987 1.936 0.603 0.559 1.000 0.812 CB 1.217 17 residues pruned to eliminate duplicates Z: 20 20.904 1.905 0.677 0.880 1.000 0.895 CA 1.087 20 residues pruned to eliminate duplicates Z: 20 25.629 2.018 0.465 0.883 0.947 0.895 CA 1.518 20 residues pruned to eliminate duplicates Z: 26 12.888 2.016 0.342 0.383 0.760 0.440 CA 1.419 26 residues pruned to eliminate duplicates 6 1.924 1.292 0.707 0.292 0.600 0.400 CB 0.820 ? Z: 10 9.655 1.934 0.330 0.651 0.889 0.556 CB 1.222 10 residues pruned to eliminate duplicates Z: 10 5.321 1.638 0.146 0.403 0.778 0.444 CA 1.345 10 residues pruned to eliminate duplicates Z: 11 18.371 2.243 0.658 0.845 1.000 0.800 CB 1.161 11 residues pruned to eliminate duplicates Z: 25 9.581 2.008 0.222 0.313 0.750 0.417 CB 1.306 18 residues pruned to eliminate duplicates Z: 6 5.264 1.636 0.375 0.467 0.800 0.600 CA 1.352 Z: 11 8.520 1.837 0.400 0.415 0.800 0.600 CB 1.431 11 residues pruned to eliminate duplicates Z: 11 12.413 1.822 0.450 0.891 0.900 0.700 CA 1.187 11 residues pruned to eliminate duplicates Z: 21 23.550 1.945 0.320 0.884 1.000 0.900 CA 1.482 21 residues pruned to eliminate duplicates Z: 10 16.794 1.855 0.881 0.822 1.000 0.778 CA 1.213 Z: 10 4.265 1.789 0.038 0.305 0.667 0.333 O 1.426 10 residues pruned to eliminate duplicates Z: 13 7.425 1.692 0.520 0.334 0.750 0.500 CB 1.332 11 residues pruned to eliminate duplicates Z: 9 3.364 1.779 0.153 0.367 0.625 0.375 CB 1.070 Z: 20 31.781 2.076 0.639 0.868 1.000 0.632 CA 1.567 20 residues pruned to eliminate duplicates Z: 9 12.999 1.966 0.333 0.777 0.875 0.625 CA 1.570 9 residues pruned to eliminate duplicates Z: 27 14.785 1.993 0.340 0.372 0.846 0.308 CB 1.472 27 residues pruned to eliminate duplicates Z: 11 5.629 1.794 0.248 0.284 1.000 0.600 CA 1.014 11 residues pruned to eliminate duplicates Z: 24 31.871 1.955 0.571 0.933 0.957 0.826 CB 1.579 24 residues pruned to eliminate duplicates Z: 11 14.816 1.909 0.480 0.862 0.900 0.800 CA 1.353 11 residues pruned to eliminate duplicates Z: 10 9.170 1.760 0.720 0.465 0.889 0.556 CB 1.177 10 residues pruned to eliminate duplicates Z: 11 15.798 2.126 0.587 0.909 1.000 1.000 CA 1.050 11 residues pruned to eliminate duplicates Z: 14 9.631 1.916 0.375 0.379 0.846 0.385 CB 1.363 14 residues pruned to eliminate duplicates Z: 28 11.790 1.955 0.318 0.372 0.704 0.481 CA 1.435 31 residues pruned to eliminate duplicates Z: 8 10.587 1.948 0.519 0.848 0.857 0.571 CA 1.170 8 residues pruned to eliminate duplicates Z: 11 13.060 2.014 0.470 0.507 1.000 0.700 CB 1.386 9 residues pruned to eliminate duplicates Z: 11 6.652 1.851 0.129 0.345 0.800 0.600 CA 1.489 12 residues pruned to eliminate duplicates Z: 57 22.585 2.159 0.388 0.287 0.857 0.429 CB 1.493 57 residues pruned to eliminate duplicates Z: 28 16.948 1.992 0.351 0.452 0.852 0.630 CA 1.495 28 residues pruned to eliminate duplicates Z: 20 25.095 2.159 0.610 0.865 0.947 0.632 CB 1.282 20 residues pruned to eliminate duplicates Z: 22 42.020 2.192 0.977 0.891 0.952 0.619 CB 1.597 22 residues pruned to eliminate duplicates Z: 23 31.605 2.037 0.577 0.888 1.000 0.773 CA 1.512 23 residues pruned to eliminate duplicates Z: 11 10.854 2.056 -0.013 0.594 1.000 0.400 CB 1.547 11 residues pruned to eliminate duplicates Z: 18 10.621 2.068 0.058 0.437 0.824 0.529 CB 1.527 18 residues pruned to eliminate duplicates Z: 20 17.856 2.154 0.762 0.295 0.842 0.316 CA 1.612 20 residues pruned to eliminate duplicates Z: 19 19.314 2.021 0.484 0.534 1.000 0.778 CB 1.468 13 residues pruned to eliminate duplicates Z: 56 29.285 1.982 0.472 0.557 0.855 0.691 CB 1.498 67 residues pruned to eliminate duplicates Z: 7 9.781 2.008 0.302 0.628 0.833 0.833 CB 1.625 Z: 7 2.746 1.485 0.092 0.397 0.833 0.833 CB 0.925 7 residues pruned to eliminate duplicates Z: 74 44.484 2.163 0.641 0.576 0.890 0.466 CB 1.530 74 residues pruned to eliminate duplicates Z: 12 6.405 1.828 0.220 0.409 0.818 0.455 CA 1.164 12 residues pruned to eliminate duplicates Z: 9 2.688 1.503 0.375 0.184 0.875 0.500 CB 0.768 Z: 28 16.926 2.163 0.526 0.402 0.852 0.444 CB 1.284 28 residues pruned to eliminate duplicates Z: 15 20.186 2.144 0.204 0.831 1.000 0.786 CB 1.570 15 residues pruned to eliminate duplicates Z: 10 13.457 2.103 0.199 0.626 1.000 0.444 CA 1.580 10 residues pruned to eliminate duplicates Z: 10 7.090 1.777 0.362 0.436 0.889 0.444 CB 1.173 Z: 15 19.630 2.121 0.553 0.617 1.000 0.786 CB 1.426 16 residues pruned to eliminate duplicates Z: 14 10.297 2.034 0.097 0.625 0.846 0.769 CB 1.344 14 residues pruned to eliminate duplicates Z: 59 26.315 2.148 0.476 0.327 0.845 0.483 CB 1.558 66 residues pruned to eliminate duplicates Z: 8 7.340 2.025 0.367 0.381 0.714 0.571 CA 1.593 9 residues pruned to eliminate duplicates Z: 16 9.007 1.732 0.487 0.359 0.733 0.600 CB 1.433 16 residues pruned to eliminate duplicates Z: 6 8.091 2.121 0.611 0.858 1.000 0.600 CA 0.780 8 residues pruned to eliminate duplicates Z: 48 22.785 2.102 0.477 0.446 0.872 0.447 CB 1.297 48 residues pruned to eliminate duplicates Z: 43 31.050 2.151 0.492 0.634 0.857 0.571 CB 1.536 43 residues pruned to eliminate duplicates Z: 35 16.001 1.967 0.306 0.347 0.824 0.412 CB 1.530 35 residues pruned to eliminate duplicates Z: 10 6.299 1.759 0.228 0.377 1.000 0.444 CA 1.108 10 residues pruned to eliminate duplicates Z: 15 8.017 1.673 0.509 0.405 0.786 0.500 CA 1.194 11 residues pruned to eliminate duplicates Z: 24 22.406 2.074 0.446 0.747 0.913 0.696 CB 1.369 24 residues pruned to eliminate duplicates Z: 9 17.388 2.200 0.316 0.774 1.000 0.750 CB 1.666 9 residues pruned to eliminate duplicates Z: 10 5.158 1.645 0.402 0.386 0.778 0.667 CA 1.081 10 residues pruned to eliminate duplicates Z: 6 6.197 1.547 0.681 0.627 1.000 0.400 C 0.946 Z: 16 11.151 1.964 0.327 0.382 0.800 0.533 CB 1.566 16 residues pruned to eliminate duplicates Z: 31 14.644 1.992 0.265 0.358 0.767 0.433 CB 1.613 31 residues pruned to eliminate duplicates Z: 10 5.300 1.504 0.494 0.301 0.778 0.333 N 1.263 Z: 12 8.181 1.948 0.154 0.482 0.727 0.636 CB 1.536 12 residues pruned to eliminate duplicates Z: 6 2.328 1.427 0.221 0.359 0.800 0.400 N 0.870 Z: 9 17.290 2.081 0.717 0.715 0.875 0.750 CB 1.609 9 residues pruned to eliminate duplicates Z: 6 2.382 1.522 0.094 0.316 0.800 0.600 CB 0.980 6 1.262 1.343 0.105 0.131 0.600 0.400 CB 1.004 ? Z: 20 18.156 1.990 0.706 0.826 0.895 0.579 CA 1.034 20 residues pruned to eliminate duplicates Z: 14 16.411 2.037 0.573 0.616 0.846 0.615 CA 1.504 14 residues pruned to eliminate duplicates Z: 11 11.750 2.013 0.389 0.570 0.900 0.600 CB 1.379 11 residues pruned to eliminate duplicates Z: 6 2.774 1.665 0.261 0.460 0.600 0.400 N 1.025 6 residues pruned to eliminate duplicates Z: 13 5.188 1.719 0.425 0.438 0.583 0.417 CB 1.118 Z: 9 3.107 1.741 0.342 0.382 0.625 0.250 CA 0.853 9 residues pruned to eliminate duplicates Z: 10 14.736 1.893 0.548 0.851 0.889 0.556 CB 1.397 10 residues pruned to eliminate duplicates Z: 6 5.679 1.609 0.553 0.426 1.000 0.600 O 1.098 6 residues pruned to eliminate duplicates Z: 8 9.423 1.849 0.703 0.712 0.857 0.714 CA 1.089 8 residues pruned to eliminate duplicates Z: 8 8.659 1.810 0.029 0.791 1.000 0.714 CB 1.361 6 residues pruned to eliminate duplicates Z: 6 7.922 1.687 0.806 0.613 0.800 0.400 CA 1.306 6 residues pruned to eliminate duplicates Z: 8 16.370 1.902 0.756 0.802 1.000 0.571 CB 1.422 8 residues pruned to eliminate duplicates Z: 21 5.835 1.466 0.480 0.184 0.850 0.300 CB 1.033 10 residues pruned to eliminate duplicates Z: 12 5.507 1.799 0.291 0.198 0.818 0.273 CB 1.252 12 residues pruned to eliminate duplicates Z: 11 12.017 1.934 0.320 0.793 0.900 0.700 CA 1.279 11 residues pruned to eliminate duplicates Z: 19 19.776 1.895 0.755 0.796 0.944 0.556 CA 1.145 19 residues pruned to eliminate duplicates Z: 11 12.269 2.078 0.576 0.834 0.900 0.700 CB 0.987 11 residues pruned to eliminate duplicates Z: 10 15.197 1.837 0.659 0.873 1.000 1.000 CA 1.211 10 residues pruned to eliminate duplicates Z: 15 10.472 1.850 0.571 0.375 0.857 0.714 CB 1.283 15 residues pruned to eliminate duplicates Z: 27 19.539 1.998 0.333 0.538 0.923 0.654 CB 1.502 27 residues pruned to eliminate duplicates Z: 13 12.221 2.122 0.235 0.517 0.833 0.750 CA 1.588 13 residues pruned to eliminate duplicates Z: 11 14.715 2.141 0.206 0.861 0.900 0.800 CB 1.471 11 residues pruned to eliminate duplicates Z: 22 21.395 2.082 0.215 0.885 1.000 0.810 CA 1.332 22 residues pruned to eliminate duplicates Z: 6 4.460 1.341 0.350 0.500 1.000 0.400 CA 1.102 Z: 14 10.593 2.050 0.157 0.503 1.000 0.692 CA 1.234 14 residues pruned to eliminate duplicates Z: 29 20.180 2.162 0.589 0.302 0.929 0.500 CA 1.491 29 residues pruned to eliminate duplicates Z: 12 4.947 1.722 0.298 0.341 0.727 0.364 CA 1.092 12 residues pruned to eliminate duplicates Z: 9 13.174 2.022 0.831 0.465 0.875 0.500 CB 1.490 9 residues pruned to eliminate duplicates Z: 12 16.924 2.104 0.364 0.837 1.000 0.818 CB 1.330 12 residues pruned to eliminate duplicates Z: 7 8.846 1.820 0.305 0.713 1.000 0.500 CA 1.253 7 residues pruned to eliminate duplicates Z: 7 2.090 1.343 0.266 0.244 0.833 0.667 CB 0.809 Z: 27 10.290 1.899 0.264 0.281 0.731 0.385 N 1.473 27 residues pruned to eliminate duplicates Z: 14 13.713 1.895 0.782 0.844 1.000 0.923 CA 0.838 14 residues pruned to eliminate duplicates Z: 10 14.016 1.972 0.253 0.815 1.000 0.778 CB 1.438 10 residues pruned to eliminate duplicates Z: 9 9.770 1.898 0.384 0.567 0.875 0.500 CA 1.408 9 residues pruned to eliminate duplicates Z: 9 2.319 1.590 0.395 0.187 0.625 0.250 CB 0.861 9 residues pruned to eliminate duplicates Z: 21 47.904 2.301 0.847 0.913 1.000 0.550 CB 1.784 21 residues pruned to eliminate duplicates Z: 26 16.312 1.975 0.775 0.340 0.840 0.360 CB 1.318 26 residues pruned to eliminate duplicates Z: 12 10.448 1.819 0.489 0.493 0.909 0.545 CA 1.289 12 residues pruned to eliminate duplicates Z: 6 3.253 1.680 0.682 0.435 0.600 0.600 N 0.917 Z: 16 21.724 2.111 0.369 0.894 0.867 0.467 CB 1.606 16 residues pruned to eliminate duplicates Z: 12 17.275 2.106 0.304 0.857 1.000 0.909 CB 1.398 13 residues pruned to eliminate duplicates 6 1.722 1.566 0.023 0.447 0.600 0.400 CB 0.846 ? Z: 8 8.751 1.646 0.586 0.694 1.000 0.714 CA 1.061 7 residues pruned to eliminate duplicates Z: 26 10.199 1.947 0.335 0.298 0.760 0.400 CB 1.295 27 residues pruned to eliminate duplicates Z: 19 21.679 2.040 0.894 0.904 0.778 0.444 CA 1.211 19 residues pruned to eliminate duplicates Z: 22 24.954 2.011 0.229 0.889 1.000 0.952 CA 1.585 22 residues pruned to eliminate duplicates Z: 21 30.458 1.958 0.588 0.902 0.950 0.800 CB 1.644 21 residues pruned to eliminate duplicates Z: 10 8.252 1.690 0.549 0.828 0.889 0.444 CB 0.890 10 residues pruned to eliminate duplicates Z: 40 30.147 2.016 0.596 0.622 0.872 0.641 CA 1.534 40 residues pruned to eliminate duplicates Z: 8 3.796 1.590 0.032 0.498 0.857 0.429 CB 1.022 Z: 6 7.407 1.507 0.550 0.757 1.000 0.600 N 1.128 Z: 15 5.695 1.593 0.283 0.349 0.929 0.357 CB 0.945 15 residues pruned to eliminate duplicates Z: 12 15.088 2.186 0.589 0.426 0.909 0.727 CB 1.555 12 residues pruned to eliminate duplicates Z: 30 24.807 2.119 0.277 0.689 0.966 0.828 CB 1.482 30 residues pruned to eliminate duplicates Z: 6 10.778 1.838 1.114 0.788 1.000 1.000 CA 0.962 11 residues pruned to eliminate duplicates Z: 14 5.939 1.427 0.493 0.409 0.846 0.538 CB 1.005 Z: 24 14.230 2.046 0.180 0.456 0.913 0.565 CA 1.408 24 residues pruned to eliminate duplicates Z: 17 14.654 1.897 0.457 0.444 0.875 0.438 N 1.605 17 residues pruned to eliminate duplicates Z: 9 3.373 1.774 -0.062 0.559 0.750 0.500 CB 0.902 Z: 12 3.322 1.454 0.294 0.314 0.818 0.364 CB 0.799 Z: 26 18.217 1.951 0.448 0.443 0.920 0.560 CA 1.486 26 residues pruned to eliminate duplicates Z: 15 12.951 1.910 0.438 0.452 0.857 0.429 CA 1.545 12 residues pruned to eliminate duplicates Z: 7 6.454 1.766 0.294 0.527 0.833 0.500 CA 1.347 7 residues pruned to eliminate duplicates Z: 6 10.304 1.634 0.723 0.665 1.000 0.800 CB 1.405 Z: 6 5.400 1.906 0.129 0.726 0.800 0.600 CA 1.144 6 residues pruned to eliminate duplicates Z: 13 9.411 1.760 0.535 0.496 0.750 0.583 CB 1.347 13 residues pruned to eliminate duplicates Z: 22 33.238 2.225 0.858 0.862 0.762 0.286 CB 1.690 22 residues pruned to eliminate duplicates Z: 10 10.178 1.827 0.198 0.580 1.000 0.667 CA 1.435 10 residues pruned to eliminate duplicates Z: 47 31.557 2.110 0.511 0.539 0.913 0.609 CB 1.539 47 residues pruned to eliminate duplicates Z: 11 5.774 1.653 0.602 0.604 0.700 0.600 CB 0.892 11 residues pruned to eliminate duplicates Z: 11 5.688 1.738 0.248 0.478 0.800 0.500 CB 1.060 Z: 11 5.116 1.694 -0.052 0.506 0.900 0.400 CA 1.113 9 residues pruned to eliminate duplicates Z: 16 6.761 1.690 0.485 0.365 0.733 0.667 CB 1.096 10 residues pruned to eliminate duplicates Z: 16 12.891 2.063 0.099 0.505 0.933 0.733 CA 1.566 16 residues pruned to eliminate duplicates 6 1.395 1.467 0.201 0.357 0.800 0.800 CB 0.516 ? Z: 27 8.095 1.766 0.334 0.341 0.769 0.423 CB 1.042 27 residues pruned to eliminate duplicates Z: 22 24.457 2.010 0.286 0.888 1.000 0.857 CA 1.487 22 residues pruned to eliminate duplicates Z: 6 2.705 1.566 0.508 0.390 0.600 0.400 CA 0.960 6 residues pruned to eliminate duplicates Z: 11 3.876 1.591 0.050 0.394 0.700 0.600 CB 1.173 Z: 6 10.675 1.804 0.515 0.730 1.000 0.400 CA 1.420 6 residues pruned to eliminate duplicates Z: 22 23.349 2.068 0.470 0.837 0.905 0.857 CB 1.386 22 residues pruned to eliminate duplicates Z: 14 12.641 2.071 0.129 0.795 0.923 0.769 CA 1.255 14 residues pruned to eliminate duplicates Z: 18 13.832 1.974 0.417 0.417 0.882 0.706 CB 1.482 18 residues pruned to eliminate duplicates Z: 7 3.696 1.415 0.528 0.494 0.833 0.667 CB 0.842 6 residues pruned to eliminate duplicates Z: 6 6.097 1.809 -0.170 0.757 1.000 0.600 O 1.445 6 residues pruned to eliminate duplicates Z: 36 27.475 1.982 0.440 0.671 0.971 0.743 CA 1.430 36 residues pruned to eliminate duplicates Z: 6 2.994 1.510 0.765 0.483 0.800 0.800 O 0.639 Z: 6 2.110 1.581 0.060 0.400 0.800 0.600 CB 0.783 Z: 20 20.932 2.115 0.634 0.888 0.842 0.579 CB 1.189 20 residues pruned to eliminate duplicates Z: 8 3.832 1.717 -0.109 0.498 1.000 0.286 CB 0.948 Z: 8 7.672 1.865 -0.139 0.713 1.000 0.714 CB 1.489 8 residues pruned to eliminate duplicates Z: 6 7.789 1.682 0.186 0.740 1.000 0.800 N 1.408 6 residues pruned to eliminate duplicates Z: 16 13.447 1.948 0.465 0.491 0.933 0.467 CB 1.316 16 residues pruned to eliminate duplicates Z: 6 2.657 1.454 0.253 0.391 0.600 0.400 N 1.219 Z: 7 2.391 1.461 0.288 0.273 0.667 0.333 O 1.007 Z: 6 5.842 1.682 0.703 0.613 1.000 0.800 CB 0.820 6 residues pruned to eliminate duplicates Z: 8 4.363 1.414 0.586 0.383 1.000 0.429 CB 0.832 Z: 10 14.761 1.850 0.907 0.817 1.000 0.667 CA 1.059 10 residues pruned to eliminate duplicates Z: 6 2.610 1.497 0.303 0.428 0.600 0.400 N 1.075 Z: 12 11.176 1.971 0.547 0.495 1.000 0.636 CA 1.110 12 residues pruned to eliminate duplicates Z: 11 9.793 1.844 0.353 0.566 0.900 0.700 CA 1.293 11 residues pruned to eliminate duplicates Z: 25 17.969 2.287 0.580 0.285 0.875 0.375 CA 1.479 25 residues pruned to eliminate duplicates Z: 7 11.421 1.894 0.642 0.709 1.000 0.833 CA 1.240 8 residues pruned to eliminate duplicates Z: 6 3.271 1.750 0.073 0.530 0.600 0.400 CB 1.261 6 residues pruned to eliminate duplicates Z: 24 16.074 1.988 0.308 0.535 0.913 0.652 CA 1.363 24 residues pruned to eliminate duplicates Z: 14 3.990 1.427 0.318 0.211 0.923 0.462 CB 0.898 Z: 18 11.200 1.874 0.245 0.589 0.824 0.588 CA 1.298 27 residues pruned to eliminate duplicates Z: 42 25.357 2.029 0.556 0.644 0.927 0.561 CA 1.183 44 residues pruned to eliminate duplicates Z: 6 3.708 1.160 0.582 0.722 1.000 0.800 CB 0.740 Z: 20 25.812 2.054 0.896 0.890 0.895 0.579 CA 1.223 20 residues pruned to eliminate duplicates Z: 6 20.524 2.169 0.835 0.867 1.000 1.000 CA 1.687 6 residues pruned to eliminate duplicates Z: 15 11.919 2.107 0.166 0.402 0.929 0.714 CA 1.549 15 residues pruned to eliminate duplicates Z: 19 11.926 1.919 0.261 0.436 0.833 0.556 CB 1.491 19 residues pruned to eliminate duplicates Z: 7 2.022 1.447 -0.114 0.641 1.000 0.833 CB 0.564 Z: 6 2.291 1.421 0.131 0.498 0.800 0.600 CB 0.798 Z: 29 26.828 1.971 0.453 0.709 0.964 0.857 CA 1.519 29 residues pruned to eliminate duplicates Z: 7 10.349 1.936 0.410 0.835 1.000 0.833 CA 1.160 13 residues pruned to eliminate duplicates Z: 19 29.847 2.208 0.846 0.903 1.000 0.389 CB 1.230 19 residues pruned to eliminate duplicates Z: 11 11.418 1.964 0.552 0.474 0.800 0.500 CB 1.521 11 residues pruned to eliminate duplicates Z: 22 34.286 2.079 0.638 0.901 0.952 0.667 CA 1.646 22 residues pruned to eliminate duplicates Z: 6 2.608 1.268 0.646 0.318 0.800 0.600 CA 0.853 6 residues pruned to eliminate duplicates Z: 23 34.235 2.025 0.678 0.912 1.000 0.818 CA 1.522 23 residues pruned to eliminate duplicates Z: 33 33.169 2.151 0.578 0.707 1.000 0.719 CA 1.431 33 residues pruned to eliminate duplicates Z: 22 40.733 2.063 0.853 0.878 1.000 0.762 CB 1.687 22 residues pruned to eliminate duplicates 8 1.814 1.427 0.118 0.278 0.857 0.571 CB 0.644 ? Z: 18 19.684 2.077 0.428 0.613 1.000 0.765 CB 1.446 18 residues pruned to eliminate duplicates Z: 13 11.566 1.980 0.504 0.731 0.917 0.417 CA 0.993 13 residues pruned to eliminate duplicates Z: 19 14.780 2.175 0.391 0.347 0.889 0.611 CA 1.530 19 residues pruned to eliminate duplicates Z: 10 6.772 1.524 0.384 0.512 1.000 0.444 CB 1.057 Z: 17 9.863 1.734 0.491 0.585 0.812 0.438 CA 1.082 17 residues pruned to eliminate duplicates Z: 7 2.436 1.429 0.275 0.250 0.667 0.500 CB 1.092 6 residues pruned to eliminate duplicates Z: 24 18.888 1.970 0.495 0.545 0.913 0.609 CB 1.401 27 residues pruned to eliminate duplicates Z: 34 26.780 2.003 0.479 0.690 0.939 0.758 CA 1.407 34 residues pruned to eliminate duplicates Z: 11 2.216 1.360 0.083 0.286 0.900 0.500 CB 0.673 Z: 21 12.748 1.814 0.383 0.452 0.850 0.500 N 1.404 20 residues pruned to eliminate duplicates Z: 9 7.451 1.964 0.137 0.581 0.750 0.625 CB 1.455 9 residues pruned to eliminate duplicates Z: 25 16.185 1.863 0.567 0.422 0.917 0.750 CA 1.338 25 residues pruned to eliminate duplicates Z: 8 2.357 1.386 0.534 0.328 0.571 0.286 CB 0.885 Z: 10 14.620 2.097 0.062 0.862 1.000 0.778 CB 1.607 10 residues pruned to eliminate duplicates Z: 22 10.286 1.850 0.387 0.288 0.810 0.524 CB 1.371 22 residues pruned to eliminate duplicates Z: 6 2.203 1.461 0.367 0.286 0.800 0.400 CA 0.784 Z: 10 5.045 1.740 0.361 0.408 0.667 0.556 CA 1.173 10 residues pruned to eliminate duplicates Z: 21 15.013 1.956 0.534 0.444 0.900 0.550 CB 1.316 21 residues pruned to eliminate duplicates Z: 9 2.839 1.452 0.376 0.274 0.875 0.375 N 0.742 Z: 14 16.232 2.034 0.343 0.442 1.000 0.692 CB 1.749 14 residues pruned to eliminate duplicates Z: 9 5.073 1.482 0.957 0.283 0.750 0.250 C 1.053 Z: 19 8.899 1.850 0.394 0.431 0.722 0.556 CB 1.210 18 residues pruned to eliminate duplicates Z: 19 25.864 2.162 0.657 0.828 0.778 0.389 CB 1.648 19 residues pruned to eliminate duplicates Z: 6 3.752 1.364 0.655 0.334 1.000 0.400 N 0.891 4 residues pruned to eliminate duplicates 6 0.796 1.331 0.659 0.300 0.800 0.800 CB 0.252 ? Z: 9 9.373 1.878 0.064 0.766 0.875 0.750 CB 1.497 8 residues pruned to eliminate duplicates Z: 26 22.128 2.325 0.577 0.307 0.920 0.400 CA 1.627 26 residues pruned to eliminate duplicates Z: 22 43.505 2.190 0.857 0.907 1.000 0.619 CB 1.659 22 residues pruned to eliminate duplicates Z: 6 4.980 1.587 0.743 0.296 0.800 0.600 CB 1.264 Z: 16 12.711 1.938 0.732 0.331 1.000 0.333 CB 1.176 16 residues pruned to eliminate duplicates Z: 10 2.705 1.380 -0.014 0.626 0.889 0.778 CB 0.662 Z: 17 23.174 2.175 0.299 0.876 1.000 0.562 CB 1.491 17 residues pruned to eliminate duplicates Z: 28 20.415 2.209 0.585 0.312 0.889 0.519 CA 1.555 28 residues pruned to eliminate duplicates Z: 6 2.925 1.239 0.228 0.424 1.000 0.600 CA 0.930 Z: 16 12.678 1.932 0.391 0.477 0.933 0.667 CA 1.335 16 residues pruned to eliminate duplicates Z: 12 13.822 2.025 0.640 0.520 0.818 0.545 CA 1.503 12 residues pruned to eliminate duplicates Z: 8 5.943 1.246 0.536 0.699 1.000 0.571 CB 0.979 Z: 48 35.759 2.076 0.611 0.599 0.915 0.681 CA 1.551 48 residues pruned to eliminate duplicates Z: 14 8.013 1.866 0.394 0.415 0.846 0.615 CA 1.103 14 residues pruned to eliminate duplicates Z: 16 22.878 2.256 0.443 0.847 0.800 0.467 CB 1.685 16 residues pruned to eliminate duplicates Z: 7 3.380 1.775 0.070 0.249 0.667 0.500 CB 1.456 Z: 9 11.984 1.977 0.577 0.707 0.875 0.750 CA 1.287 9 residues pruned to eliminate duplicates 6 1.764 1.408 0.586 0.296 0.600 0.400 CA 0.740 ? Z: 25 18.154 2.042 0.678 0.306 0.875 0.417 CB 1.534 31 residues pruned to eliminate duplicates Z: 9 12.237 2.122 0.685 0.516 0.750 0.375 CA 1.587 9 residues pruned to eliminate duplicates Z: 7 2.111 1.401 0.229 0.268 0.833 0.667 CB 0.782 Z: 13 20.719 2.130 0.537 0.838 1.000 0.750 CA 1.365 13 residues pruned to eliminate duplicates Z: 17 9.454 2.057 0.020 0.438 0.812 0.500 CA 1.477 17 residues pruned to eliminate duplicates Z: 6 3.156 1.537 0.721 0.440 0.800 0.400 C 0.709 Z: 13 9.091 1.776 0.550 0.572 0.750 0.500 CA 1.186 13 residues pruned to eliminate duplicates Z: 27 18.608 1.969 0.540 0.634 0.885 0.615 CA 1.200 27 residues pruned to eliminate duplicates Z: 10 12.779 1.958 0.318 0.535 1.000 0.667 CB 1.595 9 residues pruned to eliminate duplicates Z: 7 3.709 1.777 -0.304 0.574 1.000 0.667 CB 1.140 7 residues pruned to eliminate duplicates Z: 10 3.424 1.191 0.726 0.319 0.778 0.444 O 0.871 Z: 6 4.682 1.633 0.193 0.493 1.000 0.800 CB 1.082 Z: 9 5.233 1.607 0.156 0.621 0.875 0.375 CB 1.016 6 1.424 1.201 0.304 0.348 0.600 0.600 CB 0.800 ? Z: 6 2.169 1.351 0.190 0.691 1.000 0.800 CB 0.506 6 1.638 1.509 -0.101 0.294 0.800 0.400 CB 0.850 ? Z: 8 13.445 2.002 0.895 0.516 1.000 0.714 CA 1.317 11 residues pruned to eliminate duplicates Z: 14 16.384 2.196 0.383 0.424 1.000 0.769 CA 1.620 14 residues pruned to eliminate duplicates Z: 6 4.005 1.486 0.261 0.568 0.800 0.600 CA 1.118 Z: 6 2.324 1.591 0.685 0.442 0.800 0.600 CB 0.514 Z: 22 35.973 2.028 0.725 0.906 1.000 0.857 CB 1.596 22 residues pruned to eliminate duplicates Z: 10 15.999 1.905 0.631 0.723 1.000 0.778 CA 1.403 10 residues pruned to eliminate duplicates Z: 21 20.621 2.071 0.698 0.667 0.850 0.450 CB 1.322 21 residues pruned to eliminate duplicates 6 1.687 1.344 0.189 0.299 0.600 0.600 CB 0.985 ? Z: 6 3.637 1.498 0.548 0.410 0.800 0.600 CA 0.964 6 1.370 1.194 0.446 0.360 0.600 0.600 C 0.688 ? Z: 14 11.180 1.902 0.452 0.356 1.000 0.769 CA 1.311 14 residues pruned to eliminate duplicates Z: 9 2.635 1.497 -0.105 0.189 0.875 0.375 CB 1.154 Z: 20 17.231 1.965 0.788 0.855 0.895 0.579 CA 0.928 20 residues pruned to eliminate duplicates Z: 9 2.069 1.456 0.053 0.275 0.750 0.500 CB 0.820 Z: 6 3.431 1.674 0.131 0.450 0.800 0.600 CB 1.067 Z: 11 18.708 2.289 0.319 0.838 1.000 0.700 CB 1.464 11 residues pruned to eliminate duplicates Z: 8 2.357 1.304 0.506 0.328 0.571 0.286 CA 0.959 Z: 15 6.135 1.738 0.179 0.336 0.857 0.357 CB 1.117 15 residues pruned to eliminate duplicates Z: 16 18.356 2.000 0.589 0.620 1.000 0.667 CB 1.331 16 residues pruned to eliminate duplicates Z: 16 8.000 1.687 0.907 0.488 0.733 0.467 CB 0.885 16 residues pruned to eliminate duplicates Z: 8 2.546 1.569 0.286 0.236 0.571 0.286 CB 1.134 Z: 22 27.221 2.140 0.444 0.870 1.000 0.714 CB 1.403 21 residues pruned to eliminate duplicates Z: 38 35.880 1.990 0.726 0.662 0.919 0.730 CA 1.609 36 residues pruned to eliminate duplicates Z: 6 4.178 1.685 0.171 0.585 0.800 0.400 N 1.092 Z: 6 6.684 1.602 0.620 0.768 1.000 0.400 CB 0.909 6 residues pruned to eliminate duplicates Z: 8 5.636 2.002 0.159 0.461 0.714 0.714 CA 1.337 8 residues pruned to eliminate duplicates Z: 51 42.999 2.188 0.658 0.623 0.960 0.580 CB 1.554 52 residues pruned to eliminate duplicates Z: 63 36.433 2.026 0.548 0.498 0.919 0.597 CB 1.608 64 residues pruned to eliminate duplicates Z: 10 4.126 1.398 0.238 0.377 0.889 0.667 CA 1.020 Z: 8 5.182 1.697 0.693 0.444 0.571 0.429 CB 1.264 8 residues pruned to eliminate duplicates Z: 6 3.006 1.386 0.267 0.425 1.000 0.600 N 0.828 Z: 20 9.281 2.101 0.263 0.278 0.737 0.316 CB 1.399 20 residues pruned to eliminate duplicates Z: 11 13.497 1.927 0.779 0.566 0.900 0.500 CA 1.297 11 residues pruned to eliminate duplicates Z: 39 26.924 2.029 0.331 0.640 0.921 0.684 CA 1.541 39 residues pruned to eliminate duplicates Z: 9 14.111 1.846 0.877 0.868 0.875 0.625 CA 1.203 9 residues pruned to eliminate duplicates Z: 10 11.311 2.152 0.163 0.835 1.000 0.778 CB 1.129 10 residues pruned to eliminate duplicates Z: 12 14.171 1.766 0.502 0.788 1.000 0.727 CA 1.251 12 residues pruned to eliminate duplicates Z: 6 8.150 1.773 0.477 0.634 1.000 0.800 C 1.228 6 1.757 1.424 -0.096 0.454 1.000 0.600 N 0.640 ? Z: 14 5.485 1.870 -0.031 0.233 0.769 0.462 N 1.490 14 residues pruned to eliminate duplicates Z: 11 5.672 1.715 0.232 0.438 0.700 0.400 N 1.293 11 residues pruned to eliminate duplicates Z: 10 11.387 1.794 0.543 0.831 0.889 0.444 CA 1.159 10 residues pruned to eliminate duplicates Z: 6 4.726 1.571 0.320 0.692 1.000 0.400 CB 0.855 6 residues pruned to eliminate duplicates Z: 7 4.482 1.513 0.646 0.347 1.000 0.667 N 0.868 Z: 17 10.122 1.935 0.345 0.458 0.875 0.750 CA 1.160 17 residues pruned to eliminate duplicates 7 1.621 1.442 0.330 0.415 1.000 0.833 CB 0.377 ? 6 1.692 0.988 0.163 0.592 1.000 0.600 C 0.604 ? Z: 11 8.326 2.013 0.339 0.511 0.700 0.600 CA 1.380 11 residues pruned to eliminate duplicates Z: 10 4.688 1.688 0.623 0.255 0.778 0.222 CB 0.971 9 1.720 1.432 0.279 0.414 0.750 0.500 CB 0.485 ? 6 1.587 1.222 0.175 0.386 0.800 0.600 C 0.698 ? Z: 11 5.726 1.853 0.017 0.393 0.900 0.600 CB 1.197 11 residues pruned to eliminate duplicates Z: 6 5.686 1.629 0.430 0.820 1.000 1.000 CB 0.827 7 1.994 1.220 0.346 0.353 0.833 0.500 C 0.697 ? Z: 22 28.980 2.006 0.469 0.920 1.000 0.952 CA 1.511 22 residues pruned to eliminate duplicates Z: 10 3.620 1.698 -0.032 0.432 0.889 0.333 CB 0.886 15 residues pruned to eliminate duplicates Z: 10 9.576 1.749 0.522 0.740 0.889 0.667 CA 1.088 10 residues pruned to eliminate duplicates Z: 6 5.141 1.574 0.827 0.401 0.800 0.600 CA 1.109 Z: 15 14.119 1.822 0.828 0.520 0.857 0.429 CA 1.296 14 residues pruned to eliminate duplicates Z: 11 5.370 1.512 0.678 0.382 0.600 0.400 CA 1.264 Z: 35 21.871 2.126 0.573 0.362 0.824 0.500 CA 1.581 35 residues pruned to eliminate duplicates Z: 11 3.752 1.317 0.342 0.486 0.700 0.300 N 0.972 Z: 14 7.875 1.606 0.532 0.548 0.846 0.692 CB 1.001 19 residues pruned to eliminate duplicates Z: 20 35.421 2.036 0.941 0.908 0.947 0.526 CA 1.542 20 residues pruned to eliminate duplicates Z: 25 24.956 2.106 0.451 0.614 0.917 0.708 CB 1.632 25 residues pruned to eliminate duplicates Z: 7 6.696 1.628 0.553 0.632 0.833 0.833 CA 1.146 6 residues pruned to eliminate duplicates Z: 12 15.390 2.117 0.258 0.855 0.909 0.636 CB 1.414 12 residues pruned to eliminate duplicates Z: 20 10.261 1.957 0.222 0.329 0.842 0.421 CB 1.410 20 residues pruned to eliminate duplicates Z: 11 7.617 1.909 0.188 0.480 0.900 0.500 CA 1.205 11 residues pruned to eliminate duplicates Z: 14 8.260 1.816 0.474 0.335 0.846 0.462 CB 1.211 14 residues pruned to eliminate duplicates Z: 6 3.485 1.733 0.026 0.410 0.800 0.400 CB 1.203 6 residues pruned to eliminate duplicates Z: 6 6.348 1.531 0.580 0.541 1.000 0.600 CB 1.128 Z: 7 3.018 1.251 0.553 0.439 0.833 0.500 C 0.811 Z: 6 2.852 1.420 0.344 0.591 0.600 0.400 C 1.021 Z: 9 7.588 1.854 0.213 0.451 0.875 0.500 CB 1.434 9 residues pruned to eliminate duplicates Z: 6 5.419 1.254 0.783 0.830 1.000 0.600 O 0.815 6 0.749 1.311 0.616 0.417 1.000 0.600 CB 0.172 ? Z: 9 3.071 1.355 0.495 0.193 0.750 0.375 C 1.030 Z: 31 26.504 1.979 0.791 0.628 0.800 0.433 CB 1.514 31 residues pruned to eliminate duplicates Z: 7 2.462 1.467 0.337 0.198 0.833 0.667 CA 0.881 Z: 7 2.221 1.415 0.128 0.249 0.833 0.333 N 0.910 6 1.704 1.159 0.221 0.290 0.800 0.800 CB 0.852 ? Z: 9 6.114 1.954 -0.158 0.577 1.000 0.250 CB 1.220 9 residues pruned to eliminate duplicates Z: 9 3.246 1.182 0.377 0.411 1.000 0.250 N 0.774 Z: 6 2.203 1.439 0.323 0.658 0.600 0.600 CB 0.745 Using tripeptides from previous cycle as seeds Z: 7 3.298 1.784 -0.108 0.539 0.667 0.667 CB 1.222 6 residues pruned to eliminate duplicates Z: 6 6.057 1.730 0.242 0.484 1.000 0.600 CB 1.281 6 residues pruned to eliminate duplicates Z: 7 3.552 1.507 0.363 0.320 0.833 0.333 CB 1.033 7 residues pruned to eliminate duplicates Z: 7 3.563 1.604 0.523 0.083 0.833 0.333 CB 1.225 12 residues pruned to eliminate duplicates Z: 6 5.040 1.478 0.683 0.475 1.000 0.400 C 0.930 5 residues pruned to eliminate duplicates Z: 6 3.931 1.559 0.138 0.285 1.000 0.400 CA 1.263 6 residues pruned to eliminate duplicates Z: 6 5.198 1.927 0.095 0.438 0.800 0.400 CA 1.468 6 residues pruned to eliminate duplicates Z: 11 9.932 1.945 0.571 0.365 0.900 0.400 CB 1.320 11 residues pruned to eliminate duplicates Z: 8 9.036 1.865 0.625 0.461 1.000 0.714 CA 1.173 8 residues pruned to eliminate duplicates Z: 10 5.801 1.739 0.385 0.349 0.778 0.556 CB 1.216 10 residues pruned to eliminate duplicates Z: 11 6.243 1.665 0.249 0.311 0.900 0.700 CB 1.301 11 residues pruned to eliminate duplicates Z: 8 7.438 1.661 0.435 0.496 1.000 0.429 CA 1.184 8 residues pruned to eliminate duplicates Z: 21 11.264 1.927 0.255 0.279 0.900 0.650 CB 1.485 34 residues pruned to eliminate duplicates 6 1.763 1.557 -0.414 0.239 1.000 0.200 CB 1.170 ? Z: 6 3.219 1.796 0.417 0.333 0.800 0.400 CB 0.849 6 residues pruned to eliminate duplicates Z: 17 17.265 2.078 0.372 0.564 1.000 0.688 CB 1.423 17 residues pruned to eliminate duplicates Z: 17 17.954 2.045 0.508 0.535 1.000 0.750 CB 1.407 17 residues pruned to eliminate duplicates Z: 21 19.514 1.968 0.443 0.575 1.000 0.650 CB 1.430 18 residues pruned to eliminate duplicates Z: 7 5.141 1.445 0.740 0.362 0.833 0.333 N 1.163 7 residues pruned to eliminate duplicates Z: 17 18.357 2.051 0.557 0.537 1.000 0.688 CB 1.386 17 residues pruned to eliminate duplicates Z: 16 18.998 2.111 0.502 0.560 1.000 0.667 CB 1.459 16 residues pruned to eliminate duplicates Z: 18 17.614 2.085 0.306 0.583 1.000 0.647 CB 1.449 18 residues pruned to eliminate duplicates Z: 18 18.867 2.085 0.449 0.576 1.000 0.765 CB 1.408 18 residues pruned to eliminate duplicates Z: 16 18.866 2.043 0.615 0.596 1.000 0.733 CB 1.347 16 residues pruned to eliminate duplicates Z: 19 19.636 2.041 0.469 0.559 1.000 0.667 CB 1.458 19 residues pruned to eliminate duplicates Z: 20 17.561 2.011 0.469 0.532 0.947 0.737 CB 1.395 20 residues pruned to eliminate duplicates Z: 18 20.647 2.097 0.470 0.590 1.000 0.765 CB 1.491 18 residues pruned to eliminate duplicates Z: 20 17.995 1.987 0.469 0.523 1.000 0.737 CB 1.383 20 residues pruned to eliminate duplicates Z: 15 15.966 1.989 0.505 0.495 0.929 0.786 CA 1.543 15 residues pruned to eliminate duplicates Z: 15 16.935 2.014 0.564 0.507 0.929 0.643 CA 1.536 15 residues pruned to eliminate duplicates Z: 16 19.552 1.962 0.732 0.485 0.933 0.600 CA 1.617 16 residues pruned to eliminate duplicates Z: 6 2.968 1.532 0.377 0.343 0.800 0.800 CA 0.933 6 residues pruned to eliminate duplicates Z: 16 16.191 1.946 0.609 0.484 0.867 0.533 CA 1.566 16 residues pruned to eliminate duplicates Z: 14 17.873 2.067 0.618 0.539 0.923 0.692 CA 1.545 14 residues pruned to eliminate duplicates Z: 9 5.649 1.716 0.469 0.403 0.875 0.625 CB 1.003 6 residues pruned to eliminate duplicates Z: 6 6.439 1.662 0.696 0.479 0.800 0.400 CB 1.304 6 residues pruned to eliminate duplicates Z: 14 19.209 2.078 0.603 0.542 1.000 0.538 CA 1.534 14 residues pruned to eliminate duplicates Z: 14 12.476 1.883 0.328 0.502 0.923 0.538 CA 1.497 14 residues pruned to eliminate duplicates Z: 9 4.560 1.552 0.513 0.341 0.875 0.500 CB 0.933 Z: 7 6.543 1.810 0.323 0.736 1.000 0.667 CA 0.902 7 residues pruned to eliminate duplicates Z: 13 11.150 1.909 0.502 0.538 0.917 0.667 CA 1.179 22 residues pruned to eliminate duplicates Z: 15 8.547 1.798 0.523 0.448 0.857 0.500 CA 1.027 15 residues pruned to eliminate duplicates Z: 10 9.638 1.841 0.446 0.545 0.889 0.556 CA 1.298 10 residues pruned to eliminate duplicates Z: 12 14.983 1.933 0.615 0.560 1.000 0.455 CB 1.365 12 residues pruned to eliminate duplicates Z: 11 12.208 2.003 0.692 0.519 0.800 0.500 CA 1.398 11 residues pruned to eliminate duplicates Z: 13 8.945 1.816 0.423 0.514 1.000 0.500 CA 0.985 13 residues pruned to eliminate duplicates Z: 11 10.836 1.960 0.563 0.483 0.800 0.600 CA 1.422 11 residues pruned to eliminate duplicates Z: 10 15.690 2.113 0.914 0.487 0.889 0.333 CB 1.473 10 residues pruned to eliminate duplicates Z: 27 22.430 2.231 0.627 0.368 0.885 0.385 CA 1.578 27 residues pruned to eliminate duplicates Z: 27 21.907 2.274 0.481 0.345 0.885 0.538 CA 1.708 27 residues pruned to eliminate duplicates Z: 39 23.564 2.202 0.530 0.327 0.868 0.500 CA 1.580 39 residues pruned to eliminate duplicates Z: 10 19.255 2.253 0.826 0.534 0.889 0.556 CB 1.698 10 residues pruned to eliminate duplicates Z: 11 14.263 2.124 0.755 0.470 0.900 0.300 CB 1.386 11 residues pruned to eliminate duplicates Z: 10 19.683 2.226 0.760 0.553 1.000 0.556 CA 1.590 10 residues pruned to eliminate duplicates Z: 6 4.201 1.710 0.658 0.390 0.600 0.400 CA 1.242 6 residues pruned to eliminate duplicates Z: 28 18.065 2.269 0.553 0.258 0.778 0.407 CA 1.674 28 residues pruned to eliminate duplicates Z: 57 23.380 2.208 0.334 0.326 0.821 0.500 CB 1.564 57 residues pruned to eliminate duplicates Z: 26 23.503 2.316 0.591 0.307 0.920 0.480 CA 1.718 26 residues pruned to eliminate duplicates Z: 27 24.689 2.302 0.686 0.307 0.923 0.538 CA 1.675 27 residues pruned to eliminate duplicates Z: 6 3.469 1.619 0.890 0.229 0.600 0.400 C 1.160 6 residues pruned to eliminate duplicates Z: 28 21.997 2.256 0.678 0.283 0.852 0.481 CA 1.676 28 residues pruned to eliminate duplicates Z: 19 13.705 2.203 0.429 0.283 0.833 0.667 CA 1.572 19 residues pruned to eliminate duplicates Z: 28 21.096 2.252 0.570 0.295 0.889 0.333 CA 1.625 28 residues pruned to eliminate duplicates Z: 28 23.069 2.246 0.615 0.321 0.963 0.519 CA 1.547 28 residues pruned to eliminate duplicates Z: 28 20.043 2.248 0.702 0.269 0.815 0.333 CA 1.609 28 residues pruned to eliminate duplicates Z: 29 21.019 2.211 0.619 0.287 0.929 0.393 CA 1.519 29 residues pruned to eliminate duplicates Z: 27 21.197 2.279 0.592 0.310 0.885 0.462 CA 1.599 27 residues pruned to eliminate duplicates Z: 59 25.698 2.124 0.503 0.302 0.862 0.431 CB 1.530 59 residues pruned to eliminate duplicates Z: 12 18.668 2.172 0.661 0.468 1.000 0.636 CA 1.612 12 residues pruned to eliminate duplicates Z: 31 15.804 2.070 0.263 0.426 0.900 0.467 CB 1.325 48 residues pruned to eliminate duplicates Z: 7 4.518 1.611 0.331 0.480 0.833 0.833 N 1.053 7 residues pruned to eliminate duplicates Z: 28 13.142 2.113 0.298 0.349 0.852 0.556 CB 1.275 28 residues pruned to eliminate duplicates Z: 50 24.436 2.162 0.447 0.330 0.898 0.449 CA 1.497 50 residues pruned to eliminate duplicates Z: 54 26.239 2.196 0.478 0.308 0.868 0.509 CB 1.583 54 residues pruned to eliminate duplicates Z: 12 5.297 2.195 -0.114 0.348 0.636 0.545 CB 1.522 12 residues pruned to eliminate duplicates Z: 34 14.865 2.100 0.255 0.348 0.788 0.485 CB 1.470 34 residues pruned to eliminate duplicates Z: 20 4.946 1.937 0.073 0.187 0.632 0.368 CB 1.258 20 residues pruned to eliminate duplicates Z: 57 26.209 2.171 0.409 0.342 0.839 0.464 CA 1.621 56 residues pruned to eliminate duplicates Z: 6 2.871 1.645 0.196 0.261 1.000 0.400 CB 0.857 6 residues pruned to eliminate duplicates Z: 38 14.541 2.016 0.315 0.348 0.784 0.514 CB 1.356 29 residues pruned to eliminate duplicates Z: 8 5.232 1.481 0.111 0.649 1.000 0.571 N 1.046 10 residues pruned to eliminate duplicates Z: 6 3.591 1.478 0.618 0.446 0.800 0.800 CA 0.887 6 residues pruned to eliminate duplicates Z: 75 35.473 2.184 0.344 0.526 0.851 0.676 CB 1.609 78 residues pruned to eliminate duplicates Z: 22 42.882 2.301 0.677 0.872 1.000 0.810 CB 1.769 22 residues pruned to eliminate duplicates Z: 44 42.730 2.206 0.598 0.679 0.953 0.698 CA 1.645 44 residues pruned to eliminate duplicates Z: 45 34.095 2.176 0.587 0.567 0.841 0.636 CA 1.658 45 residues pruned to eliminate duplicates Z: 38 36.134 2.244 0.467 0.690 0.946 0.757 CA 1.604 38 residues pruned to eliminate duplicates Z: 27 25.440 2.146 0.459 0.599 0.962 0.538 CA 1.508 27 residues pruned to eliminate duplicates Z: 53 42.558 2.170 0.582 0.680 0.942 0.654 CA 1.545 53 residues pruned to eliminate duplicates Z: 41 42.548 2.272 0.510 0.702 0.975 0.725 CB 1.673 41 residues pruned to eliminate duplicates Z: 37 33.156 2.181 0.614 0.593 0.889 0.639 CA 1.615 37 residues pruned to eliminate duplicates Z: 43 41.835 2.241 0.553 0.680 0.976 0.667 CA 1.611 43 residues pruned to eliminate duplicates Z: 40 35.076 2.207 0.491 0.624 1.000 0.692 CA 1.519 40 residues pruned to eliminate duplicates Z: 55 42.554 2.240 0.527 0.629 0.926 0.593 CB 1.619 55 residues pruned to eliminate duplicates Z: 42 42.159 2.248 0.481 0.714 0.951 0.634 CA 1.713 42 residues pruned to eliminate duplicates Z: 53 47.573 2.241 0.611 0.658 0.981 0.596 CA 1.609 53 residues pruned to eliminate duplicates Z: 52 41.347 2.206 0.524 0.649 0.961 0.647 CB 1.560 52 residues pruned to eliminate duplicates Z: 44 43.314 2.224 0.617 0.671 0.930 0.674 CA 1.685 44 residues pruned to eliminate duplicates Z: 69 44.791 2.210 0.567 0.594 0.926 0.618 CB 1.547 69 residues pruned to eliminate duplicates Z: 73 44.423 2.193 0.560 0.584 0.917 0.514 CB 1.540 73 residues pruned to eliminate duplicates Z: 39 34.359 2.212 0.553 0.618 0.921 0.632 CA 1.576 39 residues pruned to eliminate duplicates Z: 73 48.186 2.199 0.545 0.603 0.944 0.611 CB 1.604 73 residues pruned to eliminate duplicates Z: 53 45.876 2.247 0.539 0.645 1.000 0.596 CA 1.606 53 residues pruned to eliminate duplicates Z: 40 37.549 2.210 0.631 0.603 0.923 0.641 CA 1.638 40 residues pruned to eliminate duplicates Z: 42 37.337 2.193 0.591 0.606 0.951 0.561 CA 1.588 42 residues pruned to eliminate duplicates Z: 14 11.772 2.083 0.597 0.343 0.769 0.385 CB 1.514 14 residues pruned to eliminate duplicates Z: 34 39.366 2.252 0.780 0.631 0.909 0.515 CA 1.663 34 residues pruned to eliminate duplicates Z: 26 22.245 2.267 0.346 0.546 0.960 0.640 CB 1.451 26 residues pruned to eliminate duplicates Z: 49 35.925 2.135 0.550 0.622 0.938 0.521 CB 1.489 49 residues pruned to eliminate duplicates Z: 41 44.629 2.256 0.582 0.693 1.000 0.575 CA 1.657 41 residues pruned to eliminate duplicates Z: 62 38.796 2.180 0.588 0.569 0.902 0.459 CB 1.489 62 residues pruned to eliminate duplicates Z: 49 40.121 2.208 0.623 0.617 0.958 0.562 CB 1.510 49 residues pruned to eliminate duplicates Z: 44 46.668 2.217 0.797 0.650 0.977 0.651 CA 1.590 44 residues pruned to eliminate duplicates Z: 17 15.528 2.208 0.420 0.509 0.875 0.625 CB 1.403 17 residues pruned to eliminate duplicates Z: 40 30.041 2.152 0.539 0.587 0.821 0.359 CB 1.628 40 residues pruned to eliminate duplicates Z: 51 37.275 2.245 0.586 0.576 0.880 0.440 CB 1.563 51 residues pruned to eliminate duplicates Z: 72 51.836 2.219 0.684 0.610 0.958 0.563 CB 1.549 72 residues pruned to eliminate duplicates Z: 26 17.718 2.209 0.260 0.520 0.920 0.440 CB 1.357 26 residues pruned to eliminate duplicates Z: 68 31.296 2.136 0.422 0.496 0.866 0.478 CB 1.459 68 residues pruned to eliminate duplicates Z: 72 50.402 2.213 0.619 0.633 0.930 0.634 CB 1.585 72 residues pruned to eliminate duplicates Z: 52 41.437 2.253 0.557 0.617 0.941 0.431 CB 1.573 52 residues pruned to eliminate duplicates Z: 74 49.955 2.205 0.617 0.601 0.932 0.548 CB 1.599 74 residues pruned to eliminate duplicates Z: 11 14.660 2.263 0.586 0.396 1.000 0.500 CB 1.441 11 residues pruned to eliminate duplicates Z: 42 29.427 2.217 0.567 0.539 0.829 0.268 CB 1.534 42 residues pruned to eliminate duplicates Z: 73 48.242 2.218 0.585 0.587 0.917 0.569 CB 1.622 73 residues pruned to eliminate duplicates Z: 47 33.169 2.183 0.537 0.540 0.935 0.565 CB 1.499 47 residues pruned to eliminate duplicates Z: 84 41.348 2.163 0.538 0.546 0.880 0.422 CB 1.484 84 residues pruned to eliminate duplicates Z: 9 3.681 1.919 0.321 0.214 0.750 0.375 CB 0.958 9 residues pruned to eliminate duplicates Z: 23 19.722 2.151 0.463 0.530 0.909 0.545 CB 1.428 23 residues pruned to eliminate duplicates Z: 77 46.289 2.191 0.485 0.600 0.947 0.579 CB 1.566 77 residues pruned to eliminate duplicates Z: 71 44.634 2.229 0.576 0.606 0.886 0.543 CB 1.551 71 residues pruned to eliminate duplicates Z: 44 27.593 2.219 0.445 0.537 0.907 0.581 CB 1.396 44 residues pruned to eliminate duplicates Z: 17 22.068 2.156 0.560 0.652 0.938 0.750 CB 1.519 17 residues pruned to eliminate duplicates Z: 37 26.201 2.218 0.640 0.460 0.944 0.472 CB 1.324 37 residues pruned to eliminate duplicates Z: 40 32.980 2.217 0.564 0.607 0.949 0.615 CB 1.450 40 residues pruned to eliminate duplicates Z: 6 5.289 1.864 0.580 0.354 0.800 0.400 CA 1.175 6 residues pruned to eliminate duplicates Z: 81 44.810 2.145 0.658 0.547 0.913 0.438 CB 1.475 81 residues pruned to eliminate duplicates Z: 31 19.983 2.159 0.605 0.423 0.900 0.500 CB 1.268 31 residues pruned to eliminate duplicates Z: 27 21.316 2.157 0.635 0.400 0.962 0.423 CB 1.371 27 residues pruned to eliminate duplicates Z: 47 30.456 2.169 0.487 0.531 0.935 0.478 CB 1.445 47 residues pruned to eliminate duplicates Z: 31 23.835 2.194 0.581 0.424 0.967 0.433 CB 1.404 31 residues pruned to eliminate duplicates Z: 21 21.843 2.129 0.519 0.562 0.950 0.500 CB 1.497 21 residues pruned to eliminate duplicates Z: 34 27.843 2.150 0.694 0.490 0.939 0.424 CB 1.430 34 residues pruned to eliminate duplicates Z: 15 20.652 2.074 0.555 0.615 0.929 0.500 CB 1.653 15 residues pruned to eliminate duplicates Z: 71 47.580 2.208 0.679 0.617 0.929 0.543 CB 1.479 71 residues pruned to eliminate duplicates Z: 47 31.466 2.185 0.585 0.510 0.913 0.370 CB 1.453 47 residues pruned to eliminate duplicates Z: 6 5.530 1.929 0.496 0.364 0.800 0.200 CB 1.239 6 residues pruned to eliminate duplicates Z: 8 5.682 1.740 0.197 0.670 0.857 0.286 CB 1.028 10 residues pruned to eliminate duplicates Z: 9 6.204 1.606 0.350 0.615 0.750 0.375 CB 1.209 9 residues pruned to eliminate duplicates Z: 7 4.394 1.609 0.196 0.744 0.833 0.333 CB 0.899 7 residues pruned to eliminate duplicates Z: 17 8.625 1.775 0.232 0.441 1.000 0.312 CB 1.049 17 residues pruned to eliminate duplicates Z: 7 8.656 1.840 0.515 0.460 1.000 0.500 CA 1.320 7 residues pruned to eliminate duplicates Z: 12 6.240 1.737 0.534 0.300 0.727 0.273 CA 1.214 12 residues pruned to eliminate duplicates Z: 10 6.159 1.777 0.231 0.432 0.778 0.222 CA 1.295 10 residues pruned to eliminate duplicates Z: 9 8.914 1.859 0.554 0.418 1.000 0.500 CA 1.188 9 residues pruned to eliminate duplicates Z: 9 3.976 1.593 0.379 0.572 0.625 0.625 CA 0.955 8 residues pruned to eliminate duplicates Z: 9 7.059 1.678 0.338 0.408 1.000 0.500 CA 1.225 8 residues pruned to eliminate duplicates Z: 10 7.370 1.674 0.487 0.472 1.000 0.556 CA 1.016 10 residues pruned to eliminate duplicates Z: 8 3.160 1.736 0.390 0.142 0.714 0.286 CA 1.081 6 residues pruned to eliminate duplicates Z: 22 14.966 1.933 0.427 0.743 0.952 0.619 CA 1.000 22 residues pruned to eliminate duplicates Z: 33 25.906 2.010 0.669 0.654 0.969 0.500 CA 1.221 33 residues pruned to eliminate duplicates Z: 31 26.239 2.078 0.538 0.730 0.967 0.700 CA 1.260 31 residues pruned to eliminate duplicates Z: 27 17.487 2.015 0.402 0.651 0.962 0.577 CA 1.096 27 residues pruned to eliminate duplicates Z: 22 17.945 2.082 0.378 0.679 0.905 0.571 CA 1.280 22 residues pruned to eliminate duplicates Z: 33 20.890 1.999 0.404 0.654 1.000 0.594 CA 1.140 33 residues pruned to eliminate duplicates Z: 43 23.964 1.972 0.578 0.646 0.952 0.548 CA 1.088 43 residues pruned to eliminate duplicates Z: 30 21.571 1.976 0.496 0.698 0.966 0.621 CA 1.172 30 residues pruned to eliminate duplicates Z: 35 26.052 2.010 0.674 0.681 0.941 0.559 CA 1.195 50 residues pruned to eliminate duplicates Z: 20 20.660 1.990 0.879 0.831 0.947 0.684 CA 1.006 20 residues pruned to eliminate duplicates Z: 25 17.354 2.059 0.425 0.690 0.917 0.750 CA 1.107 25 residues pruned to eliminate duplicates Z: 23 17.041 1.990 0.832 0.730 0.818 0.500 CA 0.991 23 residues pruned to eliminate duplicates Z: 24 14.902 1.997 0.691 0.607 0.826 0.565 CA 1.006 24 residues pruned to eliminate duplicates Z: 27 26.080 2.112 0.749 0.745 0.962 0.731 CA 1.157 27 residues pruned to eliminate duplicates Z: 50 30.425 2.035 0.659 0.628 0.959 0.592 CA 1.190 48 residues pruned to eliminate duplicates Z: 15 15.963 1.961 0.988 0.843 0.929 0.714 CA 0.877 15 residues pruned to eliminate duplicates Z: 23 15.293 1.980 0.730 0.642 0.864 0.591 CA 0.965 23 residues pruned to eliminate duplicates Z: 49 31.627 2.060 0.557 0.661 0.958 0.646 CA 1.279 50 residues pruned to eliminate duplicates Z: 11 19.749 2.007 1.064 0.804 1.000 0.500 CA 1.155 11 residues pruned to eliminate duplicates Z: 48 27.651 2.045 0.581 0.655 0.894 0.426 CA 1.208 48 residues pruned to eliminate duplicates Z: 23 20.694 2.009 0.835 0.704 0.955 0.636 CA 1.042 23 residues pruned to eliminate duplicates Z: 59 30.366 1.972 0.573 0.599 0.966 0.569 CA 1.211 81 residues pruned to eliminate duplicates Z: 15 15.020 1.901 0.401 0.722 1.000 0.643 CA 1.233 15 residues pruned to eliminate duplicates Z: 48 30.566 2.068 0.544 0.650 0.979 0.468 CA 1.241 50 residues pruned to eliminate duplicates Z: 13 15.181 1.965 0.476 0.813 1.000 0.833 CA 1.151 13 residues pruned to eliminate duplicates Z: 34 28.329 2.064 0.647 0.651 0.970 0.576 CA 1.300 34 residues pruned to eliminate duplicates Z: 34 24.341 2.060 0.648 0.667 0.909 0.576 CA 1.177 34 residues pruned to eliminate duplicates Z: 35 24.825 2.020 0.551 0.692 0.941 0.529 CA 1.211 35 residues pruned to eliminate duplicates Z: 20 15.398 2.027 0.516 0.548 0.947 0.474 CB 1.157 20 residues pruned to eliminate duplicates Z: 23 16.818 2.012 0.421 0.585 0.909 0.545 CA 1.272 23 residues pruned to eliminate duplicates Z: 48 31.556 2.056 0.550 0.682 0.979 0.660 CA 1.248 48 residues pruned to eliminate duplicates Z: 20 11.961 2.003 0.234 0.508 0.947 0.474 CB 1.162 20 residues pruned to eliminate duplicates Z: 34 26.274 2.032 0.594 0.660 0.970 0.667 CA 1.255 34 residues pruned to eliminate duplicates Z: 16 15.429 2.101 0.551 0.579 0.867 0.467 CA 1.307 16 residues pruned to eliminate duplicates Z: 35 26.741 2.056 0.683 0.678 0.941 0.647 CA 1.196 35 residues pruned to eliminate duplicates Z: 33 26.370 2.077 0.655 0.709 0.969 0.562 CA 1.157 33 residues pruned to eliminate duplicates Z: 16 19.137 2.124 0.660 0.639 1.000 0.467 CA 1.230 16 residues pruned to eliminate duplicates Z: 6 3.299 1.758 0.419 0.406 0.800 0.200 CA 0.816 Z: 7 4.168 1.565 0.545 0.355 0.833 0.167 CB 0.988 Z: 7 3.931 1.541 0.349 0.378 0.833 0.333 CB 1.055 6 residues pruned to eliminate duplicates Z: 6 4.710 1.477 0.848 0.434 0.800 0.600 C 1.033 Z: 6 5.198 1.749 0.641 0.310 1.000 0.400 CA 1.000 5 residues pruned to eliminate duplicates Z: 7 4.979 1.559 0.677 0.440 0.833 0.500 CA 0.992 7 residues pruned to eliminate duplicates Z: 60 34.516 2.063 0.484 0.518 0.932 0.627 CA 1.546 60 residues pruned to eliminate duplicates Z: 30 20.482 2.022 0.649 0.295 0.897 0.414 CA 1.599 37 residues pruned to eliminate duplicates Z: 61 33.746 2.068 0.610 0.486 0.883 0.517 CB 1.503 61 residues pruned to eliminate duplicates Z: 62 34.951 2.035 0.567 0.524 0.918 0.590 CB 1.493 62 residues pruned to eliminate duplicates Z: 24 16.274 1.998 0.306 0.458 0.913 0.609 CB 1.487 24 residues pruned to eliminate duplicates Z: 39 27.629 2.043 0.420 0.589 0.895 0.605 CA 1.586 39 residues pruned to eliminate duplicates Z: 29 21.435 2.026 0.298 0.645 0.893 0.714 CA 1.506 29 residues pruned to eliminate duplicates Z: 63 34.574 2.036 0.472 0.484 0.952 0.597 CB 1.564 63 residues pruned to eliminate duplicates Z: 40 29.574 2.053 0.363 0.647 0.974 0.667 CA 1.514 40 residues pruned to eliminate duplicates Z: 63 31.884 2.052 0.478 0.510 0.855 0.597 CA 1.546 63 residues pruned to eliminate duplicates Z: 31 28.248 2.023 0.490 0.725 0.967 0.767 CA 1.444 31 residues pruned to eliminate duplicates Z: 40 34.323 2.091 0.668 0.648 0.872 0.692 CA 1.575 47 residues pruned to eliminate duplicates Z: 23 25.926 2.016 0.488 0.813 1.000 0.864 CA 1.403 23 residues pruned to eliminate duplicates Z: 38 29.161 2.037 0.521 0.640 0.865 0.676 CA 1.570 38 residues pruned to eliminate duplicates Z: 60 33.135 2.045 0.523 0.483 0.949 0.576 CA 1.485 60 residues pruned to eliminate duplicates Z: 39 31.341 2.156 0.493 0.587 0.921 0.711 CA 1.578 39 residues pruned to eliminate duplicates Z: 42 26.149 1.981 0.534 0.589 0.878 0.610 CA 1.406 40 residues pruned to eliminate duplicates Z: 23 26.681 1.992 0.300 0.919 1.000 0.909 CA 1.549 23 residues pruned to eliminate duplicates Z: 39 33.349 2.088 0.642 0.619 0.895 0.711 CA 1.577 42 residues pruned to eliminate duplicates Z: 21 26.323 2.092 0.362 0.918 1.000 1.000 CA 1.458 21 residues pruned to eliminate duplicates Z: 36 31.098 2.028 0.600 0.653 0.914 0.571 CA 1.536 36 residues pruned to eliminate duplicates Z: 61 37.047 2.047 0.601 0.507 0.950 0.583 CA 1.526 61 residues pruned to eliminate duplicates Z: 34 31.814 2.039 0.553 0.694 0.939 0.606 CA 1.560 34 residues pruned to eliminate duplicates Z: 33 34.293 2.068 0.571 0.712 0.969 0.688 CA 1.590 33 residues pruned to eliminate duplicates Z: 61 38.758 2.081 0.677 0.510 0.883 0.583 CB 1.607 61 residues pruned to eliminate duplicates Z: 65 34.246 2.039 0.607 0.470 0.859 0.531 CB 1.567 65 residues pruned to eliminate duplicates Z: 60 37.407 2.054 0.665 0.509 0.949 0.559 CB 1.486 60 residues pruned to eliminate duplicates Z: 43 30.367 2.026 0.658 0.566 0.857 0.524 CB 1.528 43 residues pruned to eliminate duplicates Z: 59 33.923 2.057 0.659 0.501 0.862 0.483 CB 1.512 59 residues pruned to eliminate duplicates Z: 61 40.321 2.064 0.711 0.530 0.933 0.450 CB 1.533 59 residues pruned to eliminate duplicates Z: 22 45.880 2.128 0.970 0.926 1.000 0.619 CB 1.674 27 residues pruned to eliminate duplicates Z: 23 38.149 2.056 0.895 0.910 0.909 0.500 CB 1.629 23 residues pruned to eliminate duplicates Z: 59 36.834 2.059 0.655 0.516 0.862 0.379 CB 1.619 54 residues pruned to eliminate duplicates Z: 11 13.531 1.821 0.718 0.716 0.900 0.400 N 1.250 11 residues pruned to eliminate duplicates Z: 61 39.071 2.068 0.700 0.537 0.883 0.433 CB 1.567 61 residues pruned to eliminate duplicates Z: 6 6.726 1.477 1.163 0.477 0.800 0.400 CB 1.205 Z: 7 4.058 1.435 0.619 0.297 0.833 0.333 CA 1.074 5 residues pruned to eliminate duplicates Z: 10 13.422 1.872 1.002 0.478 0.889 0.556 CA 1.374 13 residues pruned to eliminate duplicates Z: 6 4.008 1.787 0.555 0.311 0.800 0.600 CA 0.994 6 residues pruned to eliminate duplicates Z: 10 8.052 1.886 0.958 0.400 0.778 0.444 CA 1.038 10 residues pruned to eliminate duplicates Z: 11 10.346 1.839 0.705 0.392 0.900 0.500 CA 1.299 11 residues pruned to eliminate duplicates Z: 15 9.475 1.803 0.656 0.316 0.714 0.357 CB 1.454 15 residues pruned to eliminate duplicates Z: 30 22.880 2.123 0.314 0.664 0.966 0.724 CB 1.356 30 residues pruned to eliminate duplicates Z: 33 22.882 2.057 0.371 0.597 0.969 0.688 CB 1.350 33 residues pruned to eliminate duplicates Z: 32 27.193 2.075 0.326 0.641 1.000 0.710 CB 1.555 32 residues pruned to eliminate duplicates Z: 21 21.114 2.159 0.318 0.538 0.950 0.650 CB 1.682 21 residues pruned to eliminate duplicates Z: 22 29.179 2.171 0.448 0.630 1.000 0.714 CB 1.792 22 residues pruned to eliminate duplicates Z: 30 25.118 2.118 0.217 0.706 0.966 0.759 CA 1.554 30 residues pruned to eliminate duplicates Z: 22 21.614 2.173 0.340 0.732 1.000 0.810 CB 1.315 22 residues pruned to eliminate duplicates Z: 22 31.225 2.207 0.459 0.671 1.000 0.905 CA 1.807 22 residues pruned to eliminate duplicates Z: 29 23.876 2.117 0.422 0.646 0.929 0.821 CB 1.409 29 residues pruned to eliminate duplicates Z: 30 31.862 2.145 0.423 0.716 1.000 0.793 CA 1.594 30 residues pruned to eliminate duplicates Z: 23 31.053 2.168 0.521 0.660 1.000 0.773 CB 1.730 23 residues pruned to eliminate duplicates Z: 29 24.512 2.128 0.309 0.711 0.893 0.571 CB 1.539 29 residues pruned to eliminate duplicates Z: 31 25.654 2.125 0.411 0.649 0.900 0.733 CB 1.511 31 residues pruned to eliminate duplicates Z: 30 26.405 2.151 0.465 0.665 0.931 0.793 CB 1.434 30 residues pruned to eliminate duplicates Z: 26 25.594 2.215 0.378 0.681 0.960 0.640 CB 1.479 26 residues pruned to eliminate duplicates Z: 24 25.098 2.190 0.395 0.669 0.957 0.652 CB 1.533 24 residues pruned to eliminate duplicates Z: 30 31.506 2.115 0.494 0.724 0.966 0.793 CB 1.567 30 residues pruned to eliminate duplicates Z: 30 32.167 2.166 0.519 0.682 0.966 0.621 CB 1.590 30 residues pruned to eliminate duplicates Z: 29 33.687 2.126 0.795 0.690 0.893 0.607 CA 1.570 29 residues pruned to eliminate duplicates Z: 31 36.623 2.101 0.850 0.674 0.933 0.433 CB 1.570 32 residues pruned to eliminate duplicates Z: 12 14.384 1.915 0.782 0.766 0.909 0.273 CB 1.104 12 residues pruned to eliminate duplicates Z: 30 32.725 2.114 0.687 0.693 0.966 0.517 CB 1.480 30 residues pruned to eliminate duplicates Z: 32 29.904 2.094 0.724 0.653 0.871 0.548 CB 1.481 32 residues pruned to eliminate duplicates Z: 30 31.586 2.116 0.725 0.675 0.897 0.655 CB 1.525 30 residues pruned to eliminate duplicates Z: 32 31.903 2.112 0.646 0.614 0.935 0.613 CB 1.581 32 residues pruned to eliminate duplicates Z: 53 38.801 2.146 0.768 0.520 0.865 0.462 CB 1.607 84 residues pruned to eliminate duplicates Z: 23 28.169 2.171 0.580 0.825 0.955 0.636 CB 1.384 Z: 7 5.756 1.921 0.380 0.479 0.833 0.333 CA 1.087 7 residues pruned to eliminate duplicates Z: 26 15.984 2.015 0.363 0.387 0.840 0.320 CB 1.562 26 residues pruned to eliminate duplicates Z: 24 12.474 1.994 0.268 0.381 0.783 0.435 CB 1.493 24 residues pruned to eliminate duplicates Z: 12 12.457 1.970 0.445 0.561 0.818 0.455 CB 1.520 12 residues pruned to eliminate duplicates Z: 25 14.472 2.020 0.247 0.387 0.875 0.375 CB 1.511 25 residues pruned to eliminate duplicates Z: 27 14.816 2.017 0.279 0.373 0.885 0.423 CB 1.458 27 residues pruned to eliminate duplicates Z: 26 14.739 2.038 0.281 0.392 0.840 0.440 CB 1.507 26 residues pruned to eliminate duplicates Z: 24 15.711 2.057 0.450 0.341 0.870 0.304 CB 1.502 24 residues pruned to eliminate duplicates Z: 35 16.796 1.962 0.466 0.350 0.794 0.412 CB 1.483 34 residues pruned to eliminate duplicates Z: 8 5.147 1.425 0.419 0.541 0.857 0.286 N 1.077 8 residues pruned to eliminate duplicates Z: 13 11.849 2.015 0.244 0.567 0.833 0.417 N 1.536 13 residues pruned to eliminate duplicates Z: 26 14.141 2.008 0.220 0.402 0.880 0.440 CB 1.455 26 residues pruned to eliminate duplicates Z: 34 17.947 2.008 0.323 0.366 0.879 0.364 CB 1.545 34 residues pruned to eliminate duplicates Z: 6 6.589 1.681 0.413 0.421 1.000 0.400 C 1.346 6 residues pruned to eliminate duplicates Z: 14 6.584 2.022 0.194 0.243 0.692 0.231 CB 1.471 14 residues pruned to eliminate duplicates Z: 25 14.501 2.012 0.350 0.357 0.833 0.375 CB 1.525 25 residues pruned to eliminate duplicates Z: 24 13.708 2.005 0.442 0.312 0.783 0.261 CB 1.556 24 residues pruned to eliminate duplicates Z: 26 15.595 2.003 0.328 0.398 0.880 0.360 CB 1.483 26 residues pruned to eliminate duplicates Z: 13 6.908 1.944 0.186 0.288 0.750 0.167 CA 1.463 13 residues pruned to eliminate duplicates Z: 29 12.138 1.958 0.338 0.345 0.786 0.321 CB 1.319 29 residues pruned to eliminate duplicates Z: 16 11.762 1.929 0.361 0.324 0.867 0.533 CB 1.619 16 residues pruned to eliminate duplicates Z: 17 10.018 1.918 0.381 0.317 0.812 0.438 CB 1.423 17 residues pruned to eliminate duplicates 6 1.990 1.507 0.494 0.236 0.600 0.400 CA 0.896 ? Z: 6 2.033 1.743 0.308 0.515 0.400 0.200 CB 0.982 6 residues pruned to eliminate duplicates Z: 19 9.872 1.922 0.362 0.395 0.778 0.611 CB 1.277 19 residues pruned to eliminate duplicates Z: 19 10.779 1.916 0.475 0.373 0.778 0.389 CB 1.323 22 residues pruned to eliminate duplicates Z: 7 4.984 1.838 0.351 0.487 0.833 0.667 CB 0.996 10 residues pruned to eliminate duplicates Z: 9 7.249 1.851 0.361 0.462 0.750 0.375 CA 1.409 9 residues pruned to eliminate duplicates Z: 13 9.360 2.026 0.535 0.484 0.750 0.667 CB 1.177 13 residues pruned to eliminate duplicates Z: 21 11.270 1.793 0.553 0.374 0.800 0.500 CB 1.294 16 residues pruned to eliminate duplicates Z: 6 10.297 2.066 0.769 0.704 0.800 0.600 CB 1.308 7 residues pruned to eliminate duplicates Z: 6 12.975 2.041 0.827 0.693 1.000 0.600 CB 1.305 6 residues pruned to eliminate duplicates Z: 11 8.227 1.872 0.599 0.401 1.000 0.400 CB 0.965 11 residues pruned to eliminate duplicates Z: 10 9.004 1.932 0.437 0.443 1.000 0.556 CB 1.147 10 residues pruned to eliminate duplicates Z: 17 10.165 2.101 0.000 0.458 0.875 0.438 CB 1.443 17 residues pruned to eliminate duplicates Z: 19 12.507 2.067 0.177 0.521 0.833 0.556 CA 1.425 19 residues pruned to eliminate duplicates Z: 6 3.303 1.852 -0.137 0.395 0.800 0.000 N 1.292 6 residues pruned to eliminate duplicates Z: 18 14.615 2.149 0.256 0.473 0.882 0.471 CA 1.529 19 residues pruned to eliminate duplicates Z: 7 5.939 1.496 0.552 0.548 1.000 0.500 CB 0.996 7 residues pruned to eliminate duplicates Z: 9 13.244 2.070 0.255 0.654 1.000 0.625 CA 1.561 9 residues pruned to eliminate duplicates Z: 15 11.155 2.097 0.135 0.478 0.857 0.571 CA 1.493 15 residues pruned to eliminate duplicates Z: 12 9.809 1.973 0.161 0.483 0.818 0.545 CA 1.606 12 residues pruned to eliminate duplicates Z: 59 21.337 1.945 0.330 0.408 0.862 0.448 CB 1.383 60 residues pruned to eliminate duplicates Z: 6 2.348 1.311 0.287 0.308 0.800 0.200 CA 0.962 6 residues pruned to eliminate duplicates Z: 15 10.856 1.986 0.548 0.487 0.714 0.571 CA 1.338 15 residues pruned to eliminate duplicates Z: 20 12.798 2.002 0.202 0.493 0.842 0.526 CA 1.459 20 residues pruned to eliminate duplicates Z: 23 10.367 2.018 0.092 0.406 0.773 0.591 CA 1.432 23 residues pruned to eliminate duplicates Z: 15 9.640 1.902 0.246 0.378 0.857 0.643 CA 1.444 15 residues pruned to eliminate duplicates Z: 15 8.086 1.909 0.292 0.230 0.857 0.500 CB 1.401 15 residues pruned to eliminate duplicates Z: 13 9.069 2.046 0.206 0.300 0.833 0.667 CA 1.591 13 residues pruned to eliminate duplicates Z: 16 9.069 1.988 0.242 0.296 0.800 0.600 CB 1.488 16 residues pruned to eliminate duplicates Z: 18 11.423 2.043 0.173 0.316 0.882 0.529 CB 1.607 18 residues pruned to eliminate duplicates Z: 23 8.449 1.871 0.334 0.271 0.773 0.455 CB 1.212 23 residues pruned to eliminate duplicates Z: 15 9.626 1.991 0.279 0.368 0.786 0.500 CB 1.483 15 residues pruned to eliminate duplicates Z: 20 9.320 1.955 0.477 0.293 0.737 0.526 CB 1.268 20 residues pruned to eliminate duplicates Z: 16 9.840 1.852 0.360 0.476 0.933 0.400 CA 1.108 16 residues pruned to eliminate duplicates Z: 18 9.895 1.891 0.582 0.385 0.647 0.471 CB 1.400 18 residues pruned to eliminate duplicates Z: 15 14.553 1.972 0.626 0.387 0.857 0.500 CA 1.596 15 residues pruned to eliminate duplicates Z: 16 8.998 1.947 0.170 0.410 0.800 0.600 CB 1.400 16 residues pruned to eliminate duplicates Z: 13 7.915 1.755 0.418 0.409 0.667 0.417 CA 1.516 13 residues pruned to eliminate duplicates Z: 10 11.295 2.069 0.204 0.619 0.889 0.333 CA 1.520 10 residues pruned to eliminate duplicates Z: 13 9.247 1.967 0.337 0.465 0.750 0.417 CB 1.403 13 residues pruned to eliminate duplicates Z: 17 13.489 1.998 0.306 0.420 0.875 0.625 CB 1.605 17 residues pruned to eliminate duplicates Z: 41 20.149 1.994 0.328 0.441 0.875 0.675 CB 1.461 40 residues pruned to eliminate duplicates Z: 6 5.098 1.826 0.650 0.346 0.800 0.000 CA 1.118 6 residues pruned to eliminate duplicates Z: 9 15.004 2.200 0.366 0.691 1.000 0.625 CA 1.482 9 residues pruned to eliminate duplicates Z: 12 14.731 2.120 0.194 0.678 1.000 0.818 CA 1.489 12 residues pruned to eliminate duplicates Z: 11 14.373 2.169 0.167 0.736 0.900 0.900 CA 1.614 11 residues pruned to eliminate duplicates Z: 16 12.996 1.966 0.353 0.665 0.933 0.867 CB 1.161 16 residues pruned to eliminate duplicates Z: 11 14.399 2.085 0.482 0.560 0.900 0.600 CB 1.544 11 residues pruned to eliminate duplicates Z: 11 17.389 2.132 0.353 0.627 1.000 0.600 CB 1.692 11 residues pruned to eliminate duplicates Z: 11 16.669 2.151 0.472 0.593 0.900 0.600 CB 1.693 11 residues pruned to eliminate duplicates Z: 12 11.577 2.076 0.460 0.420 0.818 0.545 CB 1.531 12 residues pruned to eliminate duplicates Z: 9 21.546 2.267 0.542 0.751 1.000 0.750 CB 1.743 10 residues pruned to eliminate duplicates Z: 6 3.381 1.581 0.256 0.337 0.800 0.600 N 1.137 6 residues pruned to eliminate duplicates Z: 11 19.921 2.131 0.524 0.630 1.000 0.900 CB 1.717 11 residues pruned to eliminate duplicates Z: 7 3.408 1.419 0.579 0.437 1.000 0.667 CA 0.663 7 residues pruned to eliminate duplicates Z: 8 13.354 2.172 0.618 0.416 1.000 0.571 CB 1.568 8 residues pruned to eliminate duplicates Z: 7 2.739 1.350 1.126 0.256 0.667 0.333 CA 0.773 7 residues pruned to eliminate duplicates Z: 18 20.809 2.047 0.634 0.626 0.941 0.706 CA 1.424 17 residues pruned to eliminate duplicates Z: 11 11.476 1.902 0.545 0.603 0.900 0.500 CA 1.244 12 residues pruned to eliminate duplicates Z: 10 10.211 1.920 0.549 0.573 0.778 0.444 CA 1.371 10 residues pruned to eliminate duplicates Z: 18 20.906 2.062 0.573 0.612 0.941 0.588 CA 1.493 18 residues pruned to eliminate duplicates Z: 19 11.361 1.877 0.485 0.464 0.722 0.500 CA 1.380 19 residues pruned to eliminate duplicates Z: 19 20.424 2.011 0.656 0.570 0.889 0.500 CA 1.521 19 residues pruned to eliminate duplicates Z: 19 19.664 2.061 0.727 0.569 0.889 0.611 CA 1.370 19 residues pruned to eliminate duplicates Z: 18 18.394 2.059 0.624 0.577 0.941 0.765 CA 1.317 18 residues pruned to eliminate duplicates Z: 22 14.423 1.928 0.441 0.487 0.905 0.619 CA 1.268 22 residues pruned to eliminate duplicates 511 residues left after pruning, divided into chains as follows: A: 13 B: 6 C: 6 D: 20 E: 20 F: 15 G: 17 H: 9 I: 6 J: 91 K: 10 L: 133 M: 23 N: 35 O: 20 P: 59 Q: 11 R: 17 CC for partial structure against native data = 17.74 % ------------------------------------------------------------------------------ Global autotracing cycle 16 = 0.300, Contrast = 0.413, Connect. = 0.679 for dens.mod. cycle 1 = 0.300, Contrast = 0.479, Connect. = 0.703 for dens.mod. cycle 2 = 0.300, Contrast = 0.550, Connect. = 0.737 for dens.mod. cycle 3 = 0.300, Contrast = 0.557, Connect. = 0.742 for dens.mod. cycle 4 = 0.300, Contrast = 0.564, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.568, Connect. = 0.750 for dens.mod. cycle 6 = 0.300, Contrast = 0.571, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.573, Connect. = 0.755 for dens.mod. cycle 8 = 0.300, Contrast = 0.575, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.575, Connect. = 0.758 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6866 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1171 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 27.814 2.179 0.531 0.825 1.000 0.667 CB 1.373 B: 20 21.499 2.176 0.398 0.889 1.000 0.632 CB 1.168 20 residues pruned to eliminate duplicates C: 17 15.351 2.036 0.361 0.567 0.938 0.688 CB 1.385 D: 20 41.702 2.371 0.601 0.933 1.000 0.684 CB 1.758 E: 21 40.297 2.269 0.743 0.941 0.950 0.550 CB 1.665 21 residues pruned to eliminate duplicates F: 22 30.118 2.147 0.332 0.900 1.000 0.714 CB 1.642 22 residues pruned to eliminate duplicates G: 47 29.722 2.172 0.509 0.536 0.913 0.609 CB 1.414 3 residues pruned to eliminate duplicates H: 21 39.982 2.308 0.532 0.908 1.000 0.750 CB 1.795 21 residues pruned to eliminate duplicates I: 25 12.451 2.045 0.231 0.389 0.792 0.333 CB 1.434 J: 11 21.883 2.138 0.558 0.895 1.000 0.700 CB 1.489 K: 19 35.038 2.270 0.632 0.934 0.944 0.500 CB 1.645 19 residues pruned to eliminate duplicates L: 20 23.178 2.242 0.265 0.916 0.842 0.579 CB 1.573 20 residues pruned to eliminate duplicates M: 20 31.858 2.257 0.384 0.874 0.947 0.632 CA 1.798 19 residues pruned to eliminate duplicates N: 19 28.195 2.051 0.619 0.861 0.889 0.778 CB 1.655 19 residues pruned to eliminate duplicates O: 46 40.220 2.180 0.629 0.648 0.911 0.578 CA 1.615 46 residues pruned to eliminate duplicates P: 22 33.772 2.177 0.525 0.877 1.000 0.762 CA 1.612 22 residues pruned to eliminate duplicates Q: 24 34.777 2.141 0.625 0.837 0.957 0.522 CB 1.629 24 residues pruned to eliminate duplicates R: 10 17.739 2.172 0.450 0.894 1.000 0.889 CB 1.347 S: 12 16.380 2.084 0.393 0.842 1.000 0.636 CB 1.268 11 residues pruned to eliminate duplicates T: 19 32.505 2.150 0.733 0.922 0.944 0.667 CA 1.531 19 residues pruned to eliminate duplicates U: 22 36.138 2.136 0.653 0.899 1.000 0.476 CB 1.596 22 residues pruned to eliminate duplicates V: 20 17.111 1.968 0.442 0.916 0.947 0.632 CA 1.031 W: 16 13.972 1.986 0.369 0.444 0.867 0.533 CA 1.622 X: 23 19.711 2.258 0.267 0.601 0.955 0.545 CB 1.397 23 residues pruned to eliminate duplicates Y: 11 12.144 1.859 0.473 0.806 0.900 0.800 CA 1.193 11 residues pruned to eliminate duplicates Z: 37 30.841 2.126 0.567 0.596 0.861 0.417 CA 1.635 37 residues pruned to eliminate duplicates Z: 14 24.045 2.274 0.379 0.878 1.000 0.846 CB 1.544 14 residues pruned to eliminate duplicates Z: 21 24.299 2.103 0.526 0.870 1.000 0.750 CB 1.236 21 residues pruned to eliminate duplicates Z: 71 44.129 2.218 0.546 0.605 0.914 0.614 CB 1.523 64 residues pruned to eliminate duplicates Z: 133 52.395 2.203 0.512 0.456 0.894 0.530 CB 1.601 71 residues pruned to eliminate duplicates Z: 46 40.208 2.184 0.656 0.634 0.933 0.578 CB 1.565 46 residues pruned to eliminate duplicates Z: 71 49.824 2.246 0.605 0.599 0.957 0.629 CB 1.571 72 residues pruned to eliminate duplicates Z: 12 7.929 1.917 0.200 0.420 0.636 0.455 CA 1.774 Z: 37 18.383 2.033 0.448 0.341 0.861 0.472 CB 1.438 37 residues pruned to eliminate duplicates Z: 22 35.492 2.163 0.505 0.876 1.000 0.714 CB 1.729 22 residues pruned to eliminate duplicates Z: 28 23.454 2.206 0.575 0.349 0.963 0.444 CA 1.590 28 residues pruned to eliminate duplicates Z: 9 12.350 1.972 0.465 0.829 0.875 0.750 CA 1.300 9 residues pruned to eliminate duplicates Z: 22 34.826 2.222 0.425 0.906 1.000 0.714 CB 1.707 22 residues pruned to eliminate duplicates Z: 21 31.216 2.292 0.253 0.907 1.000 0.850 CB 1.727 21 residues pruned to eliminate duplicates Z: 8 7.199 1.942 0.396 0.458 0.857 0.429 CA 1.222 Z: 19 18.477 1.987 0.452 0.542 1.000 0.722 CA 1.448 17 residues pruned to eliminate duplicates Z: 11 6.958 1.841 0.552 0.364 0.800 0.500 CB 1.115 Z: 12 13.808 2.020 0.156 0.623 1.000 0.727 CB 1.589 Z: 13 16.280 1.958 0.394 0.821 0.917 0.583 CA 1.422 13 residues pruned to eliminate duplicates Z: 18 24.557 2.241 0.416 0.881 0.941 0.706 CB 1.444 18 residues pruned to eliminate duplicates Z: 19 25.604 2.167 0.794 0.898 0.833 0.778 CB 1.333 22 residues pruned to eliminate duplicates Z: 13 14.334 1.908 0.404 0.781 0.917 0.417 CA 1.315 13 residues pruned to eliminate duplicates Z: 12 14.281 2.009 0.340 0.611 1.000 0.727 CB 1.440 12 residues pruned to eliminate duplicates Z: 34 15.644 2.016 0.280 0.356 0.818 0.424 CB 1.507 Z: 11 6.749 1.754 0.387 0.457 0.900 0.400 CB 1.018 Z: 22 34.727 2.201 0.617 0.871 0.952 0.476 CB 1.630 22 residues pruned to eliminate duplicates Z: 22 33.052 2.075 0.560 0.910 0.952 0.667 CA 1.659 10 residues pruned to eliminate duplicates Z: 12 16.970 2.162 0.251 0.858 1.000 0.727 CB 1.393 12 residues pruned to eliminate duplicates Z: 15 15.950 2.086 0.731 0.536 0.929 0.500 CB 1.227 15 residues pruned to eliminate duplicates Z: 21 35.625 2.221 0.613 0.872 0.950 0.500 CB 1.707 21 residues pruned to eliminate duplicates Z: 46 33.599 2.174 0.492 0.573 0.956 0.489 CB 1.505 46 residues pruned to eliminate duplicates Z: 11 17.168 2.182 0.176 0.865 1.000 0.800 CB 1.551 11 residues pruned to eliminate duplicates Z: 21 27.216 2.163 0.522 0.856 0.950 0.650 CB 1.435 19 residues pruned to eliminate duplicates 6 1.851 1.633 0.049 0.470 0.600 0.600 CB 0.831 ? Z: 12 20.554 2.023 0.669 0.832 1.000 0.636 CA 1.379 12 residues pruned to eliminate duplicates Z: 12 9.457 2.117 0.193 0.465 0.727 0.545 CB 1.608 13 residues pruned to eliminate duplicates Z: 9 12.796 1.995 0.206 0.678 1.000 0.750 O 1.596 12 residues pruned to eliminate duplicates Z: 17 11.078 2.160 0.112 0.467 0.812 0.500 CA 1.467 17 residues pruned to eliminate duplicates Z: 6 3.605 1.718 0.250 0.473 0.600 0.600 CA 1.287 Z: 25 7.460 1.878 0.247 0.211 0.708 0.333 CB 1.292 25 residues pruned to eliminate duplicates Z: 16 14.886 2.057 0.388 0.538 0.867 0.600 CB 1.496 16 residues pruned to eliminate duplicates Z: 21 32.477 2.221 0.486 0.896 1.000 0.850 CA 1.577 21 residues pruned to eliminate duplicates Z: 21 32.438 2.011 0.545 0.882 1.000 0.800 CA 1.688 21 residues pruned to eliminate duplicates Z: 21 37.791 2.141 0.853 0.904 0.950 0.600 CB 1.597 21 residues pruned to eliminate duplicates Z: 6 8.721 2.020 0.465 0.466 1.000 0.600 CA 1.364 Z: 20 9.847 1.893 0.151 0.410 0.789 0.421 CB 1.443 20 residues pruned to eliminate duplicates Z: 10 9.559 1.906 0.600 0.481 0.889 0.778 CB 1.198 Z: 20 34.235 2.093 0.768 0.897 0.947 0.737 CB 1.604 20 residues pruned to eliminate duplicates Z: 19 17.866 2.043 0.461 0.516 0.944 0.667 CA 1.470 19 residues pruned to eliminate duplicates Z: 20 25.167 2.091 0.610 0.862 1.000 0.789 CB 1.260 20 residues pruned to eliminate duplicates Z: 15 14.109 2.052 0.309 0.637 1.000 0.786 CB 1.235 Z: 19 19.878 1.986 0.748 0.825 1.000 0.611 CA 1.018 19 residues pruned to eliminate duplicates Z: 32 25.262 2.176 0.545 0.533 0.871 0.548 CB 1.500 32 residues pruned to eliminate duplicates Z: 9 12.159 2.011 0.811 0.489 0.875 0.375 CB 1.364 11 residues pruned to eliminate duplicates Z: 13 12.760 1.931 0.149 0.830 0.917 0.667 CA 1.361 13 residues pruned to eliminate duplicates Z: 17 7.976 1.968 0.462 0.347 0.688 0.250 CA 1.190 17 residues pruned to eliminate duplicates Z: 24 22.002 2.256 0.549 0.384 0.913 0.478 CB 1.626 24 residues pruned to eliminate duplicates Z: 22 24.215 2.146 0.427 0.878 0.952 0.714 CB 1.315 21 residues pruned to eliminate duplicates Z: 28 23.987 2.239 0.529 0.360 0.963 0.519 CA 1.627 28 residues pruned to eliminate duplicates Z: 14 16.300 2.059 0.406 0.910 0.923 0.538 CA 1.199 14 residues pruned to eliminate duplicates Z: 17 22.996 2.150 0.800 0.920 0.875 0.375 CB 1.195 17 residues pruned to eliminate duplicates Z: 13 12.318 1.986 0.309 0.567 0.917 0.583 CB 1.398 12 residues pruned to eliminate duplicates Z: 22 30.332 2.023 0.556 0.914 1.000 0.857 CA 1.487 22 residues pruned to eliminate duplicates Z: 13 11.577 1.844 0.116 0.622 1.000 0.750 CB 1.448 13 residues pruned to eliminate duplicates Z: 8 2.970 1.477 0.148 0.520 0.857 0.571 CB 0.757 Z: 14 5.885 1.497 0.604 0.371 0.769 0.308 N 1.015 Z: 14 10.878 1.835 0.236 0.514 1.000 0.462 CA 1.312 8 residues pruned to eliminate duplicates Z: 21 21.617 2.221 0.394 0.855 0.850 0.600 CB 1.355 22 residues pruned to eliminate duplicates Z: 12 13.421 2.006 0.291 0.804 0.909 0.545 CA 1.318 12 residues pruned to eliminate duplicates Z: 6 10.702 1.907 0.668 0.851 1.000 1.000 CA 1.113 Z: 16 22.845 2.092 0.486 0.836 0.933 0.600 CB 1.523 16 residues pruned to eliminate duplicates Z: 6 2.835 1.459 0.191 0.451 0.800 0.600 CB 0.959 Z: 6 3.862 1.722 0.172 0.290 0.800 0.400 O 1.355 Z: 12 13.383 1.983 0.533 0.779 0.909 0.636 CB 1.141 12 residues pruned to eliminate duplicates Z: 8 9.814 2.047 0.270 0.610 1.000 0.714 CA 1.286 8 residues pruned to eliminate duplicates Z: 29 18.002 2.162 0.603 0.314 0.786 0.357 CA 1.535 29 residues pruned to eliminate duplicates Z: 7 9.022 1.886 0.074 0.769 1.000 0.667 C 1.434 Z: 41 18.035 2.138 0.396 0.327 0.800 0.375 CA 1.444 41 residues pruned to eliminate duplicates Z: 12 8.358 1.970 0.346 0.497 0.909 0.727 CB 1.049 Z: 10 9.755 1.850 0.763 0.464 0.778 0.556 CA 1.330 8 residues pruned to eliminate duplicates Z: 19 22.371 1.969 0.672 0.918 1.000 0.889 CA 1.129 21 residues pruned to eliminate duplicates Z: 12 18.742 2.283 0.353 0.905 0.909 0.727 CB 1.432 12 residues pruned to eliminate duplicates Z: 12 17.486 2.228 0.264 0.839 0.909 0.364 CB 1.537 12 residues pruned to eliminate duplicates Z: 14 25.734 2.289 0.651 0.917 0.923 0.538 CB 1.444 14 residues pruned to eliminate duplicates Z: 8 14.606 1.935 0.914 0.815 0.857 0.429 CB 1.323 Z: 8 16.956 2.176 0.423 0.779 1.000 0.857 N 1.618 8 residues pruned to eliminate duplicates Z: 20 23.028 2.045 0.778 0.890 0.842 0.474 CA 1.241 18 residues pruned to eliminate duplicates Z: 21 33.291 2.287 0.467 0.889 0.950 0.450 CB 1.682 21 residues pruned to eliminate duplicates Z: 18 28.134 2.231 0.712 0.890 0.882 0.706 CB 1.456 18 residues pruned to eliminate duplicates Z: 27 14.539 2.035 0.371 0.330 0.846 0.538 CA 1.454 27 residues pruned to eliminate duplicates Z: 40 15.506 1.988 0.483 0.382 0.718 0.462 CB 1.330 29 residues pruned to eliminate duplicates Z: 28 20.378 2.206 0.507 0.327 0.889 0.481 CA 1.604 28 residues pruned to eliminate duplicates Z: 6 6.291 1.853 0.160 0.541 1.000 0.800 CA 1.257 Z: 17 27.362 2.110 0.958 0.867 0.875 0.625 CB 1.384 17 residues pruned to eliminate duplicates Z: 24 11.672 1.901 0.248 0.356 0.870 0.478 CB 1.378 24 residues pruned to eliminate duplicates Z: 8 11.353 1.936 0.384 0.800 0.857 0.571 CB 1.437 8 residues pruned to eliminate duplicates Z: 16 9.460 1.998 0.296 0.293 0.867 0.333 CB 1.372 16 residues pruned to eliminate duplicates Z: 12 8.398 1.723 0.577 0.412 0.909 0.455 CA 1.124 12 residues pruned to eliminate duplicates Z: 22 9.218 1.931 0.306 0.360 0.762 0.524 CA 1.217 22 residues pruned to eliminate duplicates 6 1.866 1.532 -0.010 0.427 0.800 0.600 CB 0.741 ? Z: 15 9.578 1.845 0.525 0.376 0.786 0.357 CB 1.321 Z: 6 8.361 2.079 0.362 0.540 0.800 0.600 CA 1.587 6 residues pruned to eliminate duplicates Z: 10 12.468 1.651 0.950 0.766 0.889 0.778 CA 1.147 8 residues pruned to eliminate duplicates Z: 30 18.313 2.081 0.534 0.318 0.897 0.517 CA 1.452 30 residues pruned to eliminate duplicates Z: 6 19.274 2.254 0.906 0.878 1.000 1.000 CA 1.457 13 residues pruned to eliminate duplicates Z: 10 12.114 1.710 1.050 0.486 0.889 0.444 CA 1.314 12 residues pruned to eliminate duplicates Z: 35 16.595 2.120 0.327 0.340 0.824 0.471 CB 1.461 35 residues pruned to eliminate duplicates Z: 32 24.054 2.139 0.578 0.427 0.935 0.355 CB 1.477 32 residues pruned to eliminate duplicates Z: 6 4.423 1.422 0.129 0.786 1.000 0.800 CA 0.958 Z: 17 24.488 2.135 0.695 0.850 1.000 0.625 CA 1.253 17 residues pruned to eliminate duplicates Z: 25 22.590 2.038 0.650 0.711 0.917 0.625 CA 1.235 26 residues pruned to eliminate duplicates Z: 6 5.361 1.861 0.116 0.588 0.800 0.600 CA 1.326 6 residues pruned to eliminate duplicates Z: 28 19.360 2.160 0.395 0.361 0.926 0.481 CB 1.551 28 residues pruned to eliminate duplicates Z: 10 4.721 1.937 0.608 0.273 0.556 0.333 CB 1.176 10 residues pruned to eliminate duplicates Z: 9 13.022 2.016 0.152 0.910 1.000 0.750 CA 1.406 9 residues pruned to eliminate duplicates Z: 19 12.502 2.083 0.126 0.511 0.778 0.500 CA 1.597 19 residues pruned to eliminate duplicates Z: 11 10.374 2.100 0.253 0.531 0.800 0.600 CB 1.512 6 residues pruned to eliminate duplicates Z: 17 15.704 1.952 0.423 0.860 0.875 0.625 CB 1.188 17 residues pruned to eliminate duplicates Z: 10 13.109 1.929 0.323 0.877 0.889 0.556 CA 1.399 10 residues pruned to eliminate duplicates Z: 6 2.236 1.350 0.427 0.365 0.600 0.600 C 1.000 Z: 36 14.531 1.961 0.308 0.369 0.800 0.486 CB 1.378 36 residues pruned to eliminate duplicates Z: 13 14.355 1.892 0.427 0.613 0.917 0.500 CB 1.504 13 residues pruned to eliminate duplicates Z: 9 8.540 1.944 0.244 0.463 0.875 0.625 CB 1.481 9 residues pruned to eliminate duplicates Z: 9 8.056 2.105 0.124 0.532 0.875 0.625 CB 1.334 9 residues pruned to eliminate duplicates Z: 6 5.015 2.037 0.093 0.433 1.000 0.600 CB 1.079 5 residues pruned to eliminate duplicates Z: 21 24.107 1.940 0.560 0.877 0.800 0.450 CA 1.617 22 residues pruned to eliminate duplicates Z: 14 8.842 1.861 0.469 0.349 0.769 0.538 CA 1.373 Z: 21 22.946 1.978 0.406 0.873 0.900 0.800 CA 1.494 21 residues pruned to eliminate duplicates Z: 21 14.451 1.916 0.553 0.391 0.900 0.600 CB 1.354 21 residues pruned to eliminate duplicates Z: 22 32.075 2.058 0.565 0.887 1.000 0.714 CA 1.566 21 residues pruned to eliminate duplicates Z: 10 2.931 1.356 0.646 0.255 0.556 0.444 N 1.043 Z: 26 13.389 2.005 0.359 0.385 0.760 0.480 CA 1.461 26 residues pruned to eliminate duplicates Z: 32 15.925 1.993 0.449 0.360 0.806 0.452 CB 1.429 34 residues pruned to eliminate duplicates Z: 19 13.059 1.986 0.114 0.428 0.944 0.500 CB 1.586 19 residues pruned to eliminate duplicates Z: 22 24.456 2.082 0.779 0.864 0.857 0.333 CB 1.233 22 residues pruned to eliminate duplicates Z: 16 12.051 1.963 0.345 0.450 0.867 0.533 CA 1.430 14 residues pruned to eliminate duplicates Z: 13 11.579 1.970 0.515 0.385 0.917 0.583 CB 1.380 18 residues pruned to eliminate duplicates Z: 14 11.443 2.252 0.050 0.516 0.846 0.692 CA 1.560 14 residues pruned to eliminate duplicates Z: 13 17.615 2.030 0.681 0.843 0.917 0.500 CB 1.211 12 residues pruned to eliminate duplicates Z: 14 9.060 1.957 0.476 0.380 0.769 0.538 CB 1.285 13 residues pruned to eliminate duplicates Z: 6 3.418 1.650 0.070 0.479 0.800 0.400 CA 1.106 Z: 56 24.662 2.174 0.427 0.329 0.818 0.491 CA 1.581 56 residues pruned to eliminate duplicates Z: 40 21.931 2.174 0.401 0.347 0.846 0.564 CB 1.608 40 residues pruned to eliminate duplicates Z: 22 40.103 2.042 0.961 0.921 0.952 0.476 CB 1.614 22 residues pruned to eliminate duplicates Z: 22 12.014 1.766 0.376 0.459 0.810 0.476 CA 1.389 10 residues pruned to eliminate duplicates Z: 17 23.525 2.174 0.626 0.805 1.000 0.688 CB 1.274 17 residues pruned to eliminate duplicates Z: 6 3.880 1.895 -0.182 0.536 0.800 0.200 CB 1.350 Z: 62 28.613 2.159 0.390 0.355 0.885 0.492 CA 1.614 62 residues pruned to eliminate duplicates Z: 23 22.978 2.145 0.451 0.825 0.909 0.636 CB 1.307 23 residues pruned to eliminate duplicates Z: 11 14.995 2.267 0.565 0.468 0.900 0.600 CA 1.534 11 residues pruned to eliminate duplicates Z: 9 18.046 2.242 0.754 0.625 1.000 0.750 CB 1.442 9 residues pruned to eliminate duplicates Z: 14 11.049 1.783 0.530 0.467 0.846 0.462 CA 1.373 14 residues pruned to eliminate duplicates Z: 15 14.225 1.921 0.620 0.871 0.929 0.643 CA 0.960 15 residues pruned to eliminate duplicates Z: 32 31.945 2.187 0.664 0.606 0.871 0.355 CB 1.637 32 residues pruned to eliminate duplicates Z: 15 7.427 1.864 0.242 0.403 0.857 0.500 CB 1.108 15 residues pruned to eliminate duplicates Z: 11 9.875 1.846 -0.108 0.731 1.000 0.700 C 1.540 7 residues pruned to eliminate duplicates Z: 10 4.181 1.576 0.039 0.500 1.000 0.556 CB 0.852 Z: 51 27.562 2.169 0.536 0.366 0.880 0.520 CA 1.536 51 residues pruned to eliminate duplicates Z: 17 8.886 1.805 0.308 0.413 0.750 0.438 CB 1.375 15 residues pruned to eliminate duplicates Z: 21 15.262 1.911 0.671 0.400 0.850 0.400 CB 1.397 37 residues pruned to eliminate duplicates Z: 13 15.599 2.014 0.305 0.776 0.917 0.583 CB 1.465 13 residues pruned to eliminate duplicates Z: 8 4.781 1.367 0.605 0.307 1.000 0.571 N 1.021 8 residues pruned to eliminate duplicates Z: 17 16.737 2.094 0.323 0.550 1.000 0.750 CB 1.438 17 residues pruned to eliminate duplicates Z: 17 12.806 1.895 0.247 0.532 0.875 0.625 CB 1.500 17 residues pruned to eliminate duplicates Z: 10 8.262 1.903 0.357 0.582 0.667 0.556 CB 1.478 10 residues pruned to eliminate duplicates Z: 35 25.653 2.010 0.478 0.639 0.882 0.794 CA 1.473 35 residues pruned to eliminate duplicates Z: 11 2.620 1.737 0.362 0.257 0.600 0.400 CB 0.772 Z: 23 13.401 1.927 0.393 0.366 0.818 0.409 CB 1.503 21 residues pruned to eliminate duplicates Z: 27 21.662 2.012 0.455 0.685 1.000 0.769 CA 1.224 26 residues pruned to eliminate duplicates Z: 10 5.493 1.494 0.713 0.379 0.778 0.444 CB 1.047 Z: 11 6.785 1.717 -0.118 0.656 0.900 0.500 CB 1.361 11 residues pruned to eliminate duplicates Z: 56 23.667 2.145 0.353 0.348 0.855 0.509 CA 1.517 56 residues pruned to eliminate duplicates Z: 15 17.643 2.003 0.493 0.909 0.929 0.786 CA 1.205 15 residues pruned to eliminate duplicates Z: 30 16.829 2.067 0.331 0.398 0.862 0.448 CB 1.466 30 residues pruned to eliminate duplicates Z: 10 15.662 1.911 0.662 0.814 1.000 0.667 CA 1.251 10 residues pruned to eliminate duplicates Z: 40 20.673 2.132 0.428 0.362 0.846 0.590 CA 1.490 40 residues pruned to eliminate duplicates Z: 11 14.964 1.843 0.526 0.851 1.000 0.800 CA 1.245 11 residues pruned to eliminate duplicates Z: 11 19.614 1.952 0.605 0.890 1.000 0.700 CA 1.424 11 residues pruned to eliminate duplicates Z: 6 5.437 1.668 0.143 0.605 0.800 0.800 CB 1.443 6 residues pruned to eliminate duplicates Z: 6 7.930 1.747 0.289 0.678 1.000 0.800 CA 1.337 6 residues pruned to eliminate duplicates Z: 8 9.814 2.000 0.040 0.878 1.000 0.571 CB 1.294 8 residues pruned to eliminate duplicates Z: 6 6.737 1.756 0.100 0.727 1.000 1.000 CB 1.271 10 residues pruned to eliminate duplicates Z: 27 19.944 2.194 0.541 0.320 0.885 0.500 CA 1.594 27 residues pruned to eliminate duplicates Z: 20 12.449 2.137 0.332 0.400 0.737 0.421 CB 1.513 20 residues pruned to eliminate duplicates Z: 17 21.168 1.798 0.850 0.869 0.812 0.438 CA 1.429 17 residues pruned to eliminate duplicates Z: 19 18.112 1.891 0.636 0.554 0.889 0.556 CA 1.472 20 residues pruned to eliminate duplicates Z: 21 14.422 1.882 0.514 0.448 0.850 0.550 CB 1.405 21 residues pruned to eliminate duplicates Z: 6 5.030 1.733 0.917 0.449 0.600 0.600 CA 1.189 Z: 22 33.049 2.050 0.529 0.910 1.000 0.619 CA 1.632 22 residues pruned to eliminate duplicates Z: 9 6.483 1.788 0.248 0.625 0.875 0.500 CA 1.043 Z: 11 7.294 1.851 0.335 0.789 0.800 0.600 CA 0.905 11 residues pruned to eliminate duplicates Z: 6 6.831 1.800 0.569 0.624 1.000 0.800 CB 0.962 Z: 12 15.127 1.978 0.407 0.645 1.000 0.727 CB 1.432 11 residues pruned to eliminate duplicates Z: 6 2.838 1.641 0.600 0.290 0.600 0.400 CA 1.020 5 residues pruned to eliminate duplicates Z: 14 12.136 1.908 0.434 0.400 1.000 0.538 CB 1.368 13 residues pruned to eliminate duplicates Z: 20 22.283 2.070 0.413 0.885 1.000 0.947 CB 1.262 20 residues pruned to eliminate duplicates Z: 14 4.394 1.753 0.258 0.256 0.692 0.462 CB 1.056 14 residues pruned to eliminate duplicates Z: 10 9.936 1.712 0.426 0.773 0.889 0.667 CA 1.199 10 residues pruned to eliminate duplicates Z: 6 3.942 1.599 0.505 0.476 0.600 0.600 CA 1.251 6 residues pruned to eliminate duplicates Z: 20 20.815 1.930 0.586 0.844 0.947 0.737 CA 1.225 20 residues pruned to eliminate duplicates Z: 9 7.256 1.772 0.330 0.542 0.875 0.625 CB 1.194 9 residues pruned to eliminate duplicates Z: 27 22.638 2.222 0.607 0.334 0.923 0.577 CA 1.614 27 residues pruned to eliminate duplicates Z: 23 37.616 2.045 0.780 0.872 1.000 0.682 CA 1.605 23 residues pruned to eliminate duplicates Z: 14 9.953 1.882 0.445 0.390 0.769 0.462 CA 1.483 Z: 6 3.493 1.498 0.336 0.421 0.800 0.600 CA 1.060 6 residues pruned to eliminate duplicates Z: 11 9.260 1.935 0.529 0.462 0.800 0.700 CB 1.286 11 residues pruned to eliminate duplicates Z: 22 9.238 1.798 0.447 0.327 0.762 0.381 CB 1.230 11 residues pruned to eliminate duplicates Z: 12 7.099 1.860 0.325 0.397 1.000 0.455 CB 0.969 12 residues pruned to eliminate duplicates Z: 17 7.908 1.915 0.515 0.264 0.750 0.312 CB 1.190 17 residues pruned to eliminate duplicates Z: 10 7.905 1.977 0.015 0.654 0.889 0.778 CB 1.281 10 residues pruned to eliminate duplicates 6 1.750 1.425 0.415 0.482 0.600 0.400 CB 0.658 ? Z: 7 7.249 1.818 0.631 0.637 1.000 0.833 CB 0.879 7 residues pruned to eliminate duplicates Z: 24 11.161 1.994 0.136 0.408 0.783 0.348 CA 1.446 34 residues pruned to eliminate duplicates Z: 17 23.336 1.994 0.896 0.912 0.875 0.375 CA 1.248 17 residues pruned to eliminate duplicates Z: 14 8.717 1.961 0.405 0.394 0.615 0.538 CB 1.594 15 residues pruned to eliminate duplicates Z: 12 12.012 1.910 0.540 0.569 0.909 0.727 CB 1.267 12 residues pruned to eliminate duplicates Z: 11 4.076 1.359 0.562 0.333 0.800 0.500 N 0.911 Z: 65 26.694 2.090 0.526 0.312 0.875 0.438 CB 1.473 65 residues pruned to eliminate duplicates Z: 28 19.144 1.968 0.492 0.699 0.889 0.556 CA 1.177 28 residues pruned to eliminate duplicates Z: 19 28.815 2.097 0.675 0.847 0.889 0.444 CB 1.615 19 residues pruned to eliminate duplicates Z: 10 14.582 1.861 0.567 0.784 1.000 0.556 CA 1.297 10 residues pruned to eliminate duplicates Z: 7 5.376 1.481 0.565 0.497 1.000 0.500 CB 0.950 Z: 8 5.528 1.745 0.521 0.370 1.000 0.429 N 0.905 Z: 9 13.048 2.132 0.212 0.822 1.000 0.750 CA 1.350 9 residues pruned to eliminate duplicates Z: 9 2.955 1.591 0.004 0.296 0.875 0.375 CB 0.939 Z: 6 3.006 1.379 0.485 0.469 1.000 0.800 CA 0.678 Z: 32 17.407 2.092 0.425 0.358 0.806 0.452 CB 1.515 32 residues pruned to eliminate duplicates Z: 14 14.086 1.943 0.388 0.481 0.923 0.385 N 1.599 14 residues pruned to eliminate duplicates Z: 19 16.360 1.979 0.369 0.582 0.889 0.611 CA 1.481 19 residues pruned to eliminate duplicates Z: 47 31.224 2.179 0.558 0.538 0.913 0.522 CB 1.431 47 residues pruned to eliminate duplicates Z: 6 6.946 1.860 0.166 0.550 1.000 0.600 CA 1.365 6 residues pruned to eliminate duplicates Z: 12 6.210 1.671 0.444 0.480 0.818 0.455 CB 0.967 12 residues pruned to eliminate duplicates Z: 17 16.618 1.911 0.792 0.609 0.875 0.750 CB 1.250 17 residues pruned to eliminate duplicates Z: 13 15.713 2.142 0.408 0.477 1.000 0.417 CA 1.539 13 residues pruned to eliminate duplicates Z: 8 4.403 1.643 0.909 0.250 0.714 0.429 CA 0.990 8 residues pruned to eliminate duplicates Z: 11 7.567 2.022 0.543 0.229 0.800 0.400 CB 1.314 11 residues pruned to eliminate duplicates Z: 8 5.135 1.496 0.379 0.482 0.857 0.714 CA 1.118 8 residues pruned to eliminate duplicates Z: 22 25.457 1.973 0.405 0.912 1.000 1.000 CA 1.420 22 residues pruned to eliminate duplicates Z: 34 19.485 1.995 0.229 0.668 0.970 0.697 CB 1.221 29 residues pruned to eliminate duplicates Z: 20 22.284 2.044 0.546 0.673 1.000 0.632 CB 1.379 20 residues pruned to eliminate duplicates Z: 10 7.200 1.762 0.266 0.532 0.889 0.556 CB 1.174 Z: 41 18.974 2.034 0.357 0.340 0.900 0.475 CA 1.437 41 residues pruned to eliminate duplicates Z: 8 3.078 1.470 0.541 0.232 0.714 0.429 CB 0.982 Z: 7 6.822 1.777 0.456 0.593 0.833 0.500 CB 1.182 9 residues pruned to eliminate duplicates 6 1.421 1.086 0.231 0.397 0.800 0.400 N 0.663 ? Z: 12 3.691 1.548 0.670 0.682 0.818 0.727 N 0.445 Z: 11 4.785 1.861 -0.013 0.382 0.900 0.700 CB 1.038 25 residues pruned to eliminate duplicates Z: 7 8.510 2.010 0.411 0.824 0.667 0.333 CB 1.387 7 residues pruned to eliminate duplicates Z: 6 2.578 1.488 0.591 0.461 0.600 0.600 CB 0.845 6 1.366 1.615 0.249 0.236 0.600 0.400 CB 0.686 ? Z: 6 3.324 1.497 0.659 0.379 1.000 0.400 CB 0.681 6 residues pruned to eliminate duplicates Z: 8 6.462 1.657 0.860 0.383 0.857 0.571 N 1.047 Z: 15 7.839 1.649 0.480 0.383 0.857 0.429 CB 1.135 15 residues pruned to eliminate duplicates Z: 9 4.618 1.712 0.020 0.535 0.875 0.625 CB 1.032 Z: 10 4.857 1.404 0.633 0.422 0.778 0.444 CB 0.985 Z: 18 23.904 1.911 0.935 0.864 0.882 0.588 CA 1.302 18 residues pruned to eliminate duplicates Z: 7 7.567 1.645 0.645 0.731 0.833 0.833 CB 1.113 7 residues pruned to eliminate duplicates Z: 11 11.838 1.856 0.408 0.824 0.800 0.700 CA 1.352 10 residues pruned to eliminate duplicates Z: 13 15.234 2.037 0.354 0.633 1.000 0.750 CB 1.407 13 residues pruned to eliminate duplicates Z: 8 9.878 1.970 0.464 0.494 1.000 0.714 CA 1.302 8 residues pruned to eliminate duplicates Z: 6 2.736 1.588 1.222 0.407 0.800 0.600 CB 0.478 Z: 10 2.225 1.253 0.264 0.252 0.667 0.333 CB 0.934 Z: 6 4.086 1.809 0.090 0.428 0.800 0.400 CA 1.248 6 1.533 1.160 0.536 0.417 0.800 0.400 CB 0.525 ? Z: 14 7.828 1.860 0.616 0.395 0.769 0.615 CB 1.049 14 residues pruned to eliminate duplicates Z: 14 8.000 1.783 0.510 0.404 0.769 0.538 CA 1.185 8 residues pruned to eliminate duplicates Z: 7 4.954 1.530 0.365 0.605 0.833 0.500 N 1.052 Z: 12 16.208 2.072 0.569 0.745 1.000 0.545 CB 1.207 12 residues pruned to eliminate duplicates Z: 6 3.095 1.725 0.482 0.356 0.800 0.200 CB 0.791 Z: 24 34.742 2.076 0.925 0.827 0.870 0.304 CB 1.571 24 residues pruned to eliminate duplicates Z: 12 15.723 2.046 0.291 0.773 0.909 0.636 CA 1.551 13 residues pruned to eliminate duplicates Z: 20 28.761 2.240 0.367 0.886 0.947 0.737 CB 1.642 20 residues pruned to eliminate duplicates Z: 6 3.501 1.701 0.168 0.450 1.000 0.600 CB 0.829 Z: 17 9.742 2.017 0.354 0.380 0.875 0.562 CA 1.157 17 residues pruned to eliminate duplicates Z: 26 11.102 1.955 0.165 0.302 0.800 0.440 CB 1.520 26 residues pruned to eliminate duplicates Z: 23 31.241 1.929 0.683 0.908 0.955 0.727 CA 1.527 23 residues pruned to eliminate duplicates Z: 30 16.068 1.858 0.389 0.486 0.862 0.621 CA 1.360 30 residues pruned to eliminate duplicates Z: 24 11.716 1.900 0.268 0.367 0.826 0.609 CB 1.416 24 residues pruned to eliminate duplicates Z: 8 7.242 2.007 0.526 0.354 0.714 0.571 CA 1.465 6 residues pruned to eliminate duplicates Z: 7 3.705 1.623 -0.060 0.577 1.000 0.833 CB 0.920 Z: 26 20.753 2.230 0.450 0.387 0.880 0.440 CA 1.645 26 residues pruned to eliminate duplicates Z: 12 9.400 1.774 0.326 0.459 0.818 0.455 N 1.535 12 residues pruned to eliminate duplicates 7 1.732 1.604 0.253 0.475 0.833 0.667 CB 0.433 ? Z: 6 2.162 1.424 0.064 0.394 1.000 0.400 CB 0.714 Z: 17 8.432 1.707 0.459 0.436 0.812 0.625 CB 1.113 18 residues pruned to eliminate duplicates Z: 20 13.333 1.976 0.160 0.642 0.947 0.632 CB 1.234 20 residues pruned to eliminate duplicates Z: 15 16.908 1.867 0.631 0.759 0.857 0.643 CA 1.375 15 residues pruned to eliminate duplicates Z: 6 2.962 1.259 -0.083 0.630 1.000 0.400 CA 1.016 Z: 7 4.959 1.892 0.060 0.379 0.833 0.500 CB 1.378 7 residues pruned to eliminate duplicates Z: 8 3.714 1.622 0.419 0.395 0.714 0.429 CB 0.955 Z: 7 3.381 1.413 0.273 0.309 0.833 0.167 O 1.139 Z: 6 4.580 1.329 0.442 0.572 1.000 0.800 CB 0.997 Z: 9 3.018 1.548 0.329 0.477 1.000 0.750 CB 0.531 Z: 10 6.173 1.617 0.608 0.467 1.000 0.667 CB 0.818 9 residues pruned to eliminate duplicates Z: 15 8.014 1.826 0.124 0.444 0.929 0.571 CB 1.190 15 residues pruned to eliminate duplicates Z: 11 11.607 1.975 0.253 0.563 1.000 0.600 N 1.395 11 residues pruned to eliminate duplicates Z: 6 5.641 1.672 0.298 0.693 1.000 0.800 N 0.974 6 residues pruned to eliminate duplicates Z: 11 4.650 1.579 0.185 0.369 0.800 0.500 CB 1.130 7 residues pruned to eliminate duplicates Z: 11 9.337 1.818 0.529 0.397 1.000 0.900 CA 1.185 11 residues pruned to eliminate duplicates Z: 8 6.138 2.017 0.698 0.622 0.714 0.429 CA 0.846 8 residues pruned to eliminate duplicates Z: 7 9.702 1.587 0.509 0.723 1.000 0.833 CA 1.353 Z: 24 13.330 1.956 0.473 0.404 0.783 0.435 CB 1.364 24 residues pruned to eliminate duplicates Z: 8 2.771 1.283 0.236 0.342 1.000 0.429 CB 0.784 7 residues pruned to eliminate duplicates Z: 6 2.511 1.564 -0.152 0.467 0.800 0.400 CB 1.094 Z: 6 5.402 1.796 0.513 0.598 0.800 0.800 CA 1.012 6 residues pruned to eliminate duplicates Z: 11 5.504 1.822 0.333 0.323 0.800 0.600 CA 1.089 7 residues pruned to eliminate duplicates Z: 7 3.082 1.495 0.216 0.368 1.000 0.500 CA 0.797 7 residues pruned to eliminate duplicates Z: 7 6.620 1.619 0.207 0.687 1.000 0.667 CB 1.165 7 residues pruned to eliminate duplicates Z: 12 12.301 1.990 0.279 0.692 0.818 0.818 CB 1.495 12 residues pruned to eliminate duplicates Z: 11 9.656 2.014 0.002 0.563 1.000 0.800 CA 1.423 11 residues pruned to eliminate duplicates Z: 14 5.627 1.592 0.409 0.373 0.692 0.385 CA 1.150 14 residues pruned to eliminate duplicates Z: 7 3.817 1.462 0.969 0.430 0.833 0.333 CB 0.699 6 residues pruned to eliminate duplicates Z: 8 5.499 1.678 -0.093 0.573 1.000 0.571 CB 1.273 8 residues pruned to eliminate duplicates Z: 6 6.312 1.773 0.838 0.438 0.800 0.600 CA 1.155 6 residues pruned to eliminate duplicates Z: 18 12.797 2.061 0.317 0.450 0.824 0.588 CA 1.461 18 residues pruned to eliminate duplicates Z: 13 11.389 1.837 0.633 0.470 0.917 0.500 CA 1.233 13 residues pruned to eliminate duplicates Z: 11 3.743 1.708 0.222 0.185 0.700 0.500 CB 1.182 11 residues pruned to eliminate duplicates Z: 11 2.401 1.463 0.405 0.161 0.500 0.200 CA 1.118 11 residues pruned to eliminate duplicates Z: 16 10.841 2.008 0.253 0.521 1.000 0.867 CA 1.090 16 residues pruned to eliminate duplicates Z: 48 21.305 2.080 0.309 0.358 0.872 0.489 CB 1.524 48 residues pruned to eliminate duplicates Z: 49 22.398 2.127 0.467 0.300 0.854 0.500 CA 1.516 49 residues pruned to eliminate duplicates Z: 25 12.582 1.785 0.285 0.434 0.875 0.458 CB 1.370 25 residues pruned to eliminate duplicates Z: 8 8.840 1.680 0.786 0.597 0.857 0.571 CB 1.185 10 residues pruned to eliminate duplicates Z: 8 10.709 1.805 0.706 0.719 0.857 0.714 CA 1.259 8 residues pruned to eliminate duplicates Z: 6 2.800 1.263 0.905 0.419 0.800 0.600 CB 0.708 Z: 11 8.894 1.839 0.266 0.737 0.900 0.500 CB 1.085 11 residues pruned to eliminate duplicates Z: 6 2.214 1.366 0.423 0.498 1.000 0.600 CB 0.510 Z: 13 13.694 2.058 0.422 0.490 0.917 0.667 CA 1.489 13 residues pruned to eliminate duplicates Z: 27 22.006 2.125 0.440 0.389 1.000 0.692 CA 1.587 27 residues pruned to eliminate duplicates Z: 12 14.606 1.953 0.465 0.666 1.000 0.636 CB 1.320 12 residues pruned to eliminate duplicates Z: 17 6.370 1.800 0.173 0.348 0.812 0.562 CB 1.095 17 residues pruned to eliminate duplicates Z: 42 32.775 1.968 0.568 0.640 0.976 0.756 CB 1.491 42 residues pruned to eliminate duplicates 6 1.850 1.773 0.114 0.100 0.600 0.200 CB 1.164 ? Z: 40 15.595 2.058 0.202 0.306 0.846 0.385 CB 1.481 40 residues pruned to eliminate duplicates Z: 6 2.315 1.315 -0.086 0.390 1.000 0.600 CA 0.967 Z: 27 7.765 1.740 0.359 0.295 0.808 0.385 CB 1.003 27 residues pruned to eliminate duplicates 6 1.938 1.357 0.207 0.139 0.800 0.400 N 1.035 ? Z: 6 2.699 1.465 0.727 0.346 0.800 0.600 CB 0.704 Z: 27 29.641 2.071 0.434 0.757 1.000 0.808 CB 1.557 27 residues pruned to eliminate duplicates Z: 6 3.672 1.353 0.238 0.450 1.000 0.800 CB 1.032 6 residues pruned to eliminate duplicates Z: 18 37.710 2.140 0.980 0.872 1.000 0.529 CB 1.573 18 residues pruned to eliminate duplicates Z: 18 10.549 1.918 0.230 0.353 0.882 0.412 CB 1.441 18 residues pruned to eliminate duplicates 10 1.946 1.420 0.125 0.320 0.667 0.444 CB 0.743 ? Z: 7 2.201 1.227 0.700 0.189 0.833 0.167 CA 0.751 Z: 23 10.170 1.884 0.276 0.318 0.864 0.364 CB 1.276 23 residues pruned to eliminate duplicates Z: 11 5.612 1.349 0.312 0.520 0.900 0.500 N 1.092 Z: 6 4.320 1.432 0.644 0.627 0.800 0.400 CB 0.910 Z: 14 9.526 1.921 0.139 0.581 1.000 0.769 CB 1.117 14 residues pruned to eliminate duplicates Z: 14 15.705 2.094 0.313 0.456 1.000 0.538 CA 1.657 14 residues pruned to eliminate duplicates Z: 48 34.094 2.060 0.522 0.585 0.957 0.660 CA 1.527 45 residues pruned to eliminate duplicates Z: 9 5.983 1.512 0.429 0.505 0.875 0.625 CB 1.113 Z: 7 3.658 1.373 0.021 0.481 1.000 0.333 CB 1.086 Z: 22 13.874 2.010 0.296 0.356 0.905 0.571 CA 1.502 22 residues pruned to eliminate duplicates Z: 7 2.180 1.420 0.128 0.364 0.667 0.333 CB 0.964 Z: 31 20.631 2.059 0.667 0.634 0.800 0.300 CB 1.209 31 residues pruned to eliminate duplicates Z: 6 3.349 1.255 0.157 0.623 1.000 0.400 CA 0.919 Z: 9 3.140 1.408 0.351 0.236 0.875 0.375 CB 0.906 Z: 23 20.476 2.099 0.344 0.853 0.864 0.591 CA 1.325 23 residues pruned to eliminate duplicates Z: 21 30.713 2.222 0.520 0.843 0.950 0.650 CB 1.594 21 residues pruned to eliminate duplicates Z: 7 10.057 1.786 0.990 0.685 1.000 0.667 CB 0.975 6 residues pruned to eliminate duplicates Z: 13 8.857 1.817 0.212 0.564 0.833 0.583 CA 1.309 14 residues pruned to eliminate duplicates Z: 6 2.303 1.470 0.321 0.583 0.800 0.600 N 0.612 Z: 10 10.473 1.740 0.534 0.841 0.889 0.556 CB 1.097 10 residues pruned to eliminate duplicates Z: 20 22.081 2.072 0.565 0.865 0.895 0.421 CB 1.279 20 residues pruned to eliminate duplicates Z: 12 9.025 1.815 0.268 0.430 1.000 0.545 CB 1.271 Z: 47 23.336 2.135 0.363 0.367 0.848 0.500 CB 1.609 47 residues pruned to eliminate duplicates Z: 13 12.948 1.896 0.564 0.478 0.833 0.583 CA 1.547 14 residues pruned to eliminate duplicates 6 1.175 1.192 0.012 0.406 0.800 0.400 O 0.600 ? 8 1.910 1.580 0.438 0.269 0.571 0.571 CA 0.723 ? 6 1.839 1.588 0.010 0.287 0.800 0.400 CB 0.814 ? 6 1.628 1.274 0.576 0.784 0.600 0.600 CB 0.471 ? Z: 45 25.152 2.176 0.482 0.362 0.886 0.477 CA 1.539 45 residues pruned to eliminate duplicates 6 1.538 1.263 0.401 0.297 0.600 0.600 N 0.812 ? Z: 8 2.055 1.217 0.074 0.239 0.857 0.429 C 0.939 Z: 40 24.123 2.159 0.498 0.343 0.949 0.564 CA 1.494 40 residues pruned to eliminate duplicates Z: 13 13.459 2.200 0.275 0.574 0.917 0.833 CA 1.407 13 residues pruned to eliminate duplicates Z: 15 17.624 2.106 0.576 0.515 1.000 0.714 CA 1.397 15 residues pruned to eliminate duplicates 6 1.492 1.469 0.160 0.388 0.800 0.600 CB 0.551 ? Z: 8 6.723 1.611 0.236 0.607 1.000 0.571 CB 1.153 Z: 7 4.136 1.315 0.423 0.535 1.000 0.500 N 0.872 7 residues pruned to eliminate duplicates Z: 6 3.404 1.984 -0.258 0.382 1.000 0.200 CB 1.173 6 residues pruned to eliminate duplicates Z: 9 2.983 1.565 0.021 0.367 0.625 0.250 C 1.218 9 residues pruned to eliminate duplicates Z: 12 8.261 1.635 0.562 0.459 0.818 0.636 CB 1.243 12 residues pruned to eliminate duplicates Z: 19 13.590 1.936 0.403 0.537 0.944 0.667 CB 1.204 19 residues pruned to eliminate duplicates Z: 6 2.401 1.663 0.365 0.292 0.800 0.600 CB 0.747 Z: 15 11.409 1.832 0.553 0.471 0.929 0.429 CB 1.188 15 residues pruned to eliminate duplicates Z: 9 4.274 1.462 0.600 0.500 0.875 0.500 CB 0.738 9 residues pruned to eliminate duplicates Z: 20 12.458 1.924 0.297 0.500 0.842 0.579 CB 1.360 20 residues pruned to eliminate duplicates Z: 20 11.806 1.747 0.858 0.372 0.842 0.474 CB 1.137 20 residues pruned to eliminate duplicates Z: 16 8.592 1.879 0.136 0.413 0.800 0.600 CB 1.423 16 residues pruned to eliminate duplicates Z: 27 11.211 1.958 0.274 0.271 0.769 0.385 CB 1.487 27 residues pruned to eliminate duplicates Z: 15 10.908 1.714 0.699 0.552 0.786 0.429 CB 1.211 15 residues pruned to eliminate duplicates Z: 8 3.533 1.668 0.500 0.266 0.571 0.429 N 1.220 8 residues pruned to eliminate duplicates Z: 6 4.266 1.667 0.620 0.223 0.800 0.600 CB 1.222 6 residues pruned to eliminate duplicates Z: 7 13.723 1.970 0.672 0.677 1.000 0.833 CA 1.446 7 residues pruned to eliminate duplicates Z: 10 14.434 1.915 0.482 0.748 1.000 1.000 CA 1.359 10 residues pruned to eliminate duplicates Z: 7 2.746 1.364 0.893 0.246 0.667 0.333 CA 0.873 Z: 6 3.034 1.410 0.319 0.464 0.800 0.600 CA 0.946 Z: 21 9.927 1.890 0.314 0.271 0.850 0.350 CB 1.363 21 residues pruned to eliminate duplicates Z: 13 7.283 1.690 0.406 0.409 0.917 0.583 CA 1.061 13 residues pruned to eliminate duplicates Z: 10 4.654 1.586 0.096 0.522 1.000 0.556 CB 0.874 7 residues pruned to eliminate duplicates Z: 6 2.498 1.473 0.860 0.427 0.400 0.400 N 1.100 Z: 21 32.755 2.037 0.679 0.915 0.900 0.500 CB 1.682 21 residues pruned to eliminate duplicates Z: 8 4.408 1.809 0.248 0.351 0.857 0.286 N 1.012 8 residues pruned to eliminate duplicates Z: 10 6.713 1.705 0.243 0.488 0.778 0.778 CB 1.374 9 residues pruned to eliminate duplicates Z: 10 3.364 1.492 0.247 0.372 0.889 0.556 CA 0.777 10 residues pruned to eliminate duplicates Z: 28 15.047 2.120 0.452 0.303 0.815 0.370 CA 1.439 28 residues pruned to eliminate duplicates Z: 8 2.366 1.419 0.976 0.397 0.857 0.429 CB 0.415 8 1.908 1.188 0.571 0.178 0.857 0.286 CB 0.665 ? Z: 6 4.269 1.603 0.344 0.479 1.000 1.000 N 0.906 Z: 6 6.193 1.523 0.726 0.574 1.000 0.600 CA 0.981 6 residues pruned to eliminate duplicates Z: 11 13.552 1.854 0.631 0.802 0.900 0.700 CA 1.209 11 residues pruned to eliminate duplicates Z: 21 29.990 2.225 0.747 0.632 0.950 0.550 CA 1.604 21 residues pruned to eliminate duplicates Z: 16 6.531 1.637 0.249 0.454 0.800 0.533 CB 1.080 Z: 7 2.178 1.357 0.146 0.230 0.833 0.667 CB 0.940 Z: 15 11.013 2.055 0.454 0.313 0.929 0.500 CB 1.305 15 residues pruned to eliminate duplicates Z: 6 2.798 1.288 0.419 0.384 0.800 0.600 CA 0.968 Z: 13 4.673 1.539 0.238 0.331 0.833 0.667 N 1.023 13 residues pruned to eliminate duplicates Z: 24 18.250 2.030 0.223 0.583 0.957 0.609 CB 1.480 24 residues pruned to eliminate duplicates Z: 37 18.593 2.043 0.527 0.307 0.806 0.444 CA 1.528 37 residues pruned to eliminate duplicates Z: 6 3.585 1.156 1.160 0.433 1.000 0.600 CB 0.688 8 1.574 1.198 0.338 0.377 0.714 0.571 CB 0.592 ? Z: 8 3.603 1.337 0.513 0.234 1.000 0.571 CB 0.917 Z: 7 2.577 1.295 0.293 0.439 0.833 0.167 CB 0.803 Z: 7 2.959 1.401 0.160 0.445 0.833 0.833 N 0.944 Z: 7 6.019 1.963 0.840 0.644 0.833 0.833 CA 0.713 7 residues pruned to eliminate duplicates Z: 16 9.520 1.945 0.275 0.375 0.800 0.667 CB 1.416 18 residues pruned to eliminate duplicates 6 1.632 1.403 0.850 0.556 0.600 0.400 CB 0.444 ? Z: 7 3.086 1.431 0.218 0.423 0.833 0.333 N 0.939 7 residues pruned to eliminate duplicates Z: 8 8.986 2.051 0.036 0.814 1.000 0.714 CB 1.217 8 residues pruned to eliminate duplicates Z: 6 2.130 1.327 0.165 0.300 0.800 0.800 CB 0.963 Z: 10 11.535 1.974 0.241 0.604 1.000 0.778 CA 1.421 10 residues pruned to eliminate duplicates Z: 7 2.925 1.503 0.215 0.350 0.833 0.667 CA 0.923 Z: 6 2.117 1.313 0.598 0.298 0.800 0.600 CB 0.707 Z: 9 2.427 1.626 0.017 0.186 0.750 0.500 CB 1.009 9 residues pruned to eliminate duplicates Z: 7 3.057 1.458 0.164 0.391 0.833 0.667 N 0.991 Z: 6 3.040 1.386 0.779 0.283 0.800 0.600 CB 0.881 Z: 17 23.606 1.968 0.642 0.692 1.000 0.750 CB 1.533 17 residues pruned to eliminate duplicates 6 1.985 1.419 -0.112 0.347 0.800 0.600 O 1.039 ? Z: 11 5.736 1.937 -0.128 0.451 0.800 0.500 CB 1.411 11 residues pruned to eliminate duplicates Z: 7 3.199 1.597 0.166 0.347 0.833 0.667 CA 0.994 Z: 7 3.748 1.371 0.395 0.489 0.833 0.500 O 0.971 Z: 9 3.442 1.559 0.741 0.214 0.750 0.500 CA 0.837 6 1.317 1.530 0.249 0.307 0.400 0.200 CB 0.954 ? Z: 12 3.326 1.568 0.171 0.335 0.636 0.273 CB 1.028 12 residues pruned to eliminate duplicates Z: 6 7.835 1.756 0.829 0.534 1.000 0.800 CA 1.055 Z: 6 3.033 1.537 0.571 0.880 1.000 0.600 CB 0.407 Z: 14 18.917 2.078 0.585 0.754 1.000 0.769 CB 1.270 14 residues pruned to eliminate duplicates Z: 6 3.620 1.765 -0.115 0.496 1.000 1.000 CB 1.041 Z: 14 4.634 1.940 0.181 0.264 0.769 0.615 CB 0.955 14 residues pruned to eliminate duplicates Z: 7 2.766 1.552 0.119 0.385 0.833 0.500 N 0.881 7 residues pruned to eliminate duplicates Z: 7 2.164 1.506 0.099 0.379 0.833 0.667 CB 0.729 Z: 7 2.939 1.363 0.491 0.412 0.833 0.667 CB 0.777 Using tripeptides from previous cycle as seeds Z: 8 8.269 1.724 0.478 0.757 1.000 0.429 CA 0.976 7 residues pruned to eliminate duplicates Z: 6 5.965 1.582 0.075 0.769 1.000 0.800 N 1.236 6 residues pruned to eliminate duplicates Z: 13 14.287 1.815 0.381 0.537 1.000 0.500 CB 1.587 16 residues pruned to eliminate duplicates Z: 7 4.563 1.558 0.315 0.639 1.000 0.500 CA 0.799 7 residues pruned to eliminate duplicates Z: 10 6.411 1.746 0.450 0.355 0.778 0.333 CA 1.270 10 residues pruned to eliminate duplicates Z: 10 8.036 1.900 0.275 0.512 0.889 0.556 CB 1.228 10 residues pruned to eliminate duplicates Z: 12 11.427 1.967 0.324 0.595 0.909 0.545 CA 1.328 12 residues pruned to eliminate duplicates Z: 12 12.394 1.966 0.398 0.484 0.909 0.545 CA 1.520 12 residues pruned to eliminate duplicates Z: 6 4.159 1.633 0.098 0.311 1.000 0.800 C 1.279 6 residues pruned to eliminate duplicates Z: 7 2.760 1.677 -0.176 0.520 0.667 0.667 CB 1.199 7 residues pruned to eliminate duplicates Z: 7 3.526 1.781 0.028 0.536 0.667 0.667 CB 1.138 7 residues pruned to eliminate duplicates Z: 6 6.600 1.839 0.537 0.481 0.800 0.600 CB 1.332 6 residues pruned to eliminate duplicates Z: 7 6.390 1.738 0.463 0.605 0.833 0.667 CB 1.114 7 residues pruned to eliminate duplicates Z: 6 9.308 1.867 0.677 0.464 1.000 0.800 CB 1.379 6 residues pruned to eliminate duplicates Z: 7 5.094 1.859 0.290 0.372 0.833 0.667 CB 1.194 7 residues pruned to eliminate duplicates Z: 15 8.431 1.992 0.219 0.382 0.714 0.500 CB 1.472 15 residues pruned to eliminate duplicates Z: 22 9.405 1.846 0.480 0.257 0.810 0.476 CB 1.226 18 residues pruned to eliminate duplicates Z: 6 3.317 1.563 0.291 0.487 1.000 1.000 CA 0.745 6 residues pruned to eliminate duplicates Z: 14 7.355 1.808 0.210 0.388 0.846 0.462 CB 1.240 14 residues pruned to eliminate duplicates Z: 15 6.799 1.989 0.079 0.369 0.643 0.429 CB 1.516 15 residues pruned to eliminate duplicates Z: 20 9.020 1.831 0.440 0.336 0.684 0.368 CB 1.372 20 residues pruned to eliminate duplicates Z: 14 9.062 1.876 0.456 0.398 0.769 0.538 CB 1.332 14 residues pruned to eliminate duplicates Z: 20 9.263 1.856 0.298 0.337 0.789 0.526 CB 1.336 17 residues pruned to eliminate duplicates Z: 7 3.288 1.508 0.230 0.332 0.833 0.667 CB 1.043 Z: 9 3.924 1.501 0.355 0.352 0.875 0.500 CB 0.915 7 residues pruned to eliminate duplicates Z: 7 4.561 1.503 0.336 0.426 1.000 0.333 CA 1.002 Z: 6 3.394 1.448 0.779 0.484 0.800 0.800 N 0.748 6 residues pruned to eliminate duplicates Z: 18 22.173 2.116 0.447 0.599 1.000 0.706 CA 1.598 19 residues pruned to eliminate duplicates Z: 20 16.835 1.945 0.478 0.492 0.947 0.684 CB 1.429 20 residues pruned to eliminate duplicates Z: 20 22.014 2.083 0.429 0.547 1.000 0.737 CB 1.620 20 residues pruned to eliminate duplicates Z: 17 20.418 2.104 0.498 0.579 1.000 0.750 CB 1.501 17 residues pruned to eliminate duplicates Z: 17 19.510 2.105 0.444 0.588 1.000 0.750 CB 1.474 17 residues pruned to eliminate duplicates Z: 21 17.856 2.019 0.457 0.529 0.850 0.600 CB 1.553 21 residues pruned to eliminate duplicates Z: 19 15.973 2.016 0.323 0.520 0.944 0.722 CB 1.465 19 residues pruned to eliminate duplicates Z: 20 16.895 1.994 0.421 0.497 1.000 0.737 CB 1.373 20 residues pruned to eliminate duplicates Z: 18 21.927 2.112 0.462 0.572 1.000 0.765 CB 1.607 18 residues pruned to eliminate duplicates Z: 19 20.584 2.069 0.498 0.535 1.000 0.722 CB 1.512 19 residues pruned to eliminate duplicates Z: 9 6.000 1.656 0.535 0.337 1.000 0.625 CB 0.997 6 residues pruned to eliminate duplicates Z: 7 3.313 1.461 0.123 0.511 1.000 0.500 N 0.815 Z: 6 5.076 1.724 0.204 0.438 1.000 1.000 N 1.166 13 residues pruned to eliminate duplicates Z: 6 6.463 1.495 0.666 0.450 1.000 0.400 CA 1.221 Z: 8 7.315 1.712 0.437 0.500 0.857 0.571 N 1.312 8 residues pruned to eliminate duplicates Z: 9 6.043 1.757 0.356 0.354 0.750 0.375 C 1.399 15 residues pruned to eliminate duplicates Z: 7 7.060 1.579 0.441 0.541 1.000 0.833 CB 1.216 7 residues pruned to eliminate duplicates Z: 7 6.038 1.853 0.372 0.298 0.833 0.500 CB 1.458 7 residues pruned to eliminate duplicates Z: 6 3.195 1.892 -0.073 0.304 0.800 0.200 CA 1.267 6 residues pruned to eliminate duplicates Z: 7 4.772 1.806 0.368 0.581 1.000 0.000 CB 0.729 10 residues pruned to eliminate duplicates Z: 9 6.264 1.773 0.484 0.437 0.875 0.125 CB 1.027 9 residues pruned to eliminate duplicates Z: 11 8.648 1.954 0.431 0.406 0.900 0.300 CB 1.199 11 residues pruned to eliminate duplicates Z: 19 7.231 1.780 0.175 0.333 0.944 0.278 CB 1.035 15 residues pruned to eliminate duplicates Z: 7 4.505 1.655 0.408 0.472 0.833 0.167 CB 0.974 7 residues pruned to eliminate duplicates Z: 8 3.828 1.679 0.014 0.390 1.000 0.571 CB 0.955 6 residues pruned to eliminate duplicates Z: 6 3.318 1.614 0.143 0.380 1.000 0.800 CB 0.914 6 residues pruned to eliminate duplicates Z: 12 7.795 1.622 0.810 0.405 0.909 0.364 CA 0.973 Z: 8 8.119 1.573 0.596 0.623 1.000 0.857 CA 1.089 8 residues pruned to eliminate duplicates Z: 10 7.511 1.894 0.268 0.407 0.889 0.444 CA 1.293 12 residues pruned to eliminate duplicates Z: 7 4.873 1.690 0.354 0.185 0.833 0.333 C 1.522 11 residues pruned to eliminate duplicates Z: 9 9.052 1.924 0.385 0.435 1.000 0.375 CA 1.285 19 residues pruned to eliminate duplicates Z: 7 7.332 1.892 0.472 0.392 1.000 0.333 CA 1.204 7 residues pruned to eliminate duplicates Z: 30 20.908 2.054 0.510 0.446 1.000 0.586 CB 1.323 30 residues pruned to eliminate duplicates Z: 15 8.784 1.954 0.494 0.275 0.857 0.357 CB 1.211 14 residues pruned to eliminate duplicates Z: 7 7.750 1.948 0.481 0.297 1.000 0.167 CB 1.376 8 residues pruned to eliminate duplicates Z: 7 4.359 1.589 0.812 0.125 0.833 0.167 N 1.187 7 residues pruned to eliminate duplicates Z: 29 17.996 2.006 0.447 0.676 0.893 0.679 CA 1.116 29 residues pruned to eliminate duplicates Z: 11 14.105 2.048 0.519 0.537 1.000 0.700 CA 1.383 11 residues pruned to eliminate duplicates Z: 21 15.642 2.001 0.439 0.824 0.850 0.650 CA 1.080 21 residues pruned to eliminate duplicates Z: 26 22.204 2.081 0.457 0.720 0.960 0.520 CA 1.251 26 residues pruned to eliminate duplicates Z: 51 26.341 2.014 0.382 0.607 0.940 0.660 CA 1.286 49 residues pruned to eliminate duplicates Z: 18 18.945 2.097 0.443 0.917 0.941 0.588 CA 1.138 18 residues pruned to eliminate duplicates Z: 26 18.802 1.985 0.578 0.661 0.920 0.560 CA 1.123 26 residues pruned to eliminate duplicates Z: 36 21.864 1.983 0.429 0.620 0.943 0.514 CA 1.235 36 residues pruned to eliminate duplicates Z: 22 24.563 2.071 0.550 0.788 1.000 0.667 CA 1.296 22 residues pruned to eliminate duplicates Z: 91 44.598 2.044 0.496 0.643 0.944 0.556 CA 1.423 93 residues pruned to eliminate duplicates Z: 17 14.947 2.044 0.660 0.880 0.938 0.438 CA 0.851 17 residues pruned to eliminate duplicates Z: 48 31.294 2.084 0.581 0.674 0.936 0.553 CA 1.261 48 residues pruned to eliminate duplicates Z: 20 23.176 2.019 0.735 0.917 0.895 0.632 CA 1.197 20 residues pruned to eliminate duplicates Z: 26 22.966 2.076 0.691 0.689 0.880 0.520 CA 1.250 26 residues pruned to eliminate duplicates Z: 20 17.390 2.051 0.545 0.730 0.895 0.526 CA 1.144 20 residues pruned to eliminate duplicates Z: 49 29.025 2.062 0.424 0.634 0.938 0.479 CA 1.343 49 residues pruned to eliminate duplicates Z: 32 22.739 2.030 0.524 0.659 0.968 0.613 CA 1.178 32 residues pruned to eliminate duplicates Z: 40 25.875 2.058 0.510 0.650 0.949 0.538 CA 1.221 40 residues pruned to eliminate duplicates Z: 37 24.731 2.022 0.623 0.595 1.000 0.500 CA 1.147 37 residues pruned to eliminate duplicates Z: 71 36.724 2.061 0.543 0.576 0.943 0.571 CA 1.361 71 residues pruned to eliminate duplicates Z: 17 19.542 2.002 1.009 0.690 1.000 0.625 CA 1.021 17 residues pruned to eliminate duplicates Z: 43 23.943 1.996 0.524 0.544 0.881 0.476 CA 1.320 43 residues pruned to eliminate duplicates Z: 47 30.453 2.077 0.542 0.635 0.935 0.457 CA 1.322 47 residues pruned to eliminate duplicates Z: 18 24.252 2.042 1.009 0.747 1.000 0.529 CA 1.150 18 residues pruned to eliminate duplicates Z: 33 28.864 2.077 0.713 0.704 0.938 0.500 CA 1.270 33 residues pruned to eliminate duplicates Z: 49 30.457 2.058 0.545 0.641 0.958 0.604 CA 1.265 49 residues pruned to eliminate duplicates Z: 51 30.032 2.052 0.560 0.633 0.920 0.540 CA 1.273 51 residues pruned to eliminate duplicates Z: 16 14.037 2.120 0.170 0.623 0.933 0.667 CB 1.395 16 residues pruned to eliminate duplicates Z: 27 18.239 1.969 0.498 0.463 0.923 0.538 CB 1.363 27 residues pruned to eliminate duplicates Z: 48 27.800 2.045 0.465 0.614 0.915 0.489 CA 1.328 48 residues pruned to eliminate duplicates Z: 15 11.748 2.103 0.136 0.662 0.929 0.500 CB 1.218 15 residues pruned to eliminate duplicates Z: 17 14.206 2.114 0.249 0.584 1.000 0.500 CB 1.242 17 residues pruned to eliminate duplicates Z: 58 30.640 2.027 0.567 0.592 0.895 0.474 CA 1.308 58 residues pruned to eliminate duplicates Z: 19 16.234 2.004 0.441 0.593 0.889 0.444 CB 1.363 19 residues pruned to eliminate duplicates Z: 33 26.426 2.070 0.720 0.659 0.938 0.438 CA 1.208 33 residues pruned to eliminate duplicates Z: 17 14.299 2.033 0.448 0.532 0.875 0.438 CB 1.345 17 residues pruned to eliminate duplicates Z: 58 36.528 2.043 0.592 0.588 0.912 0.544 CA 1.499 58 residues pruned to eliminate duplicates Z: 55 31.730 2.005 0.639 0.611 0.944 0.500 CA 1.252 55 residues pruned to eliminate duplicates Z: 19 17.339 1.982 0.421 0.647 1.000 0.444 CB 1.265 19 residues pruned to eliminate duplicates Z: 16 20.485 2.097 0.553 0.631 1.000 0.467 CA 1.435 16 residues pruned to eliminate duplicates Z: 7 2.779 1.841 -0.008 0.313 0.833 0.333 CB 0.916 7 residues pruned to eliminate duplicates Z: 11 5.024 1.519 0.261 0.557 0.800 0.600 CB 0.981 11 residues pruned to eliminate duplicates Z: 18 8.366 1.828 0.443 0.424 0.706 0.412 CB 1.180 18 residues pruned to eliminate duplicates Z: 58 37.257 2.054 0.555 0.609 0.930 0.649 CA 1.498 58 residues pruned to eliminate duplicates Z: 7 5.121 1.628 0.459 0.329 0.833 0.333 CA 1.274 7 residues pruned to eliminate duplicates Z: 9 7.504 2.069 0.758 0.264 0.750 0.250 CA 1.272 9 residues pruned to eliminate duplicates Z: 21 19.903 2.112 0.423 0.529 0.950 0.800 CB 1.515 21 residues pruned to eliminate duplicates Z: 19 15.754 2.054 0.567 0.411 0.889 0.611 CA 1.425 19 residues pruned to eliminate duplicates Z: 21 14.231 2.031 0.564 0.430 0.750 0.450 CB 1.436 21 residues pruned to eliminate duplicates Z: 41 30.979 2.049 0.650 0.592 0.875 0.650 CA 1.516 41 residues pruned to eliminate duplicates Z: 39 29.850 2.033 0.562 0.621 0.921 0.579 CA 1.476 40 residues pruned to eliminate duplicates Z: 6 3.984 1.454 0.656 0.469 1.000 1.000 CA 0.764 6 residues pruned to eliminate duplicates Z: 40 28.010 2.064 0.481 0.572 0.923 0.615 CB 1.483 40 residues pruned to eliminate duplicates Z: 33 31.016 2.057 0.601 0.649 0.938 0.750 CA 1.546 33 residues pruned to eliminate duplicates Z: 50 38.337 2.067 0.593 0.569 0.959 0.694 CA 1.621 49 residues pruned to eliminate duplicates Z: 9 8.742 2.129 -0.101 0.678 1.000 1.000 CB 1.371 9 residues pruned to eliminate duplicates Z: 7 8.313 2.132 -0.214 0.727 1.000 0.833 CA 1.650 7 residues pruned to eliminate duplicates Z: 43 31.927 2.008 0.640 0.601 0.905 0.667 CA 1.503 43 residues pruned to eliminate duplicates Z: 42 27.508 1.942 0.480 0.659 0.927 0.707 CA 1.391 42 residues pruned to eliminate duplicates Z: 43 36.222 2.035 0.676 0.627 0.952 0.595 CA 1.526 43 residues pruned to eliminate duplicates Z: 51 25.156 1.956 0.521 0.466 0.860 0.520 CB 1.440 51 residues pruned to eliminate duplicates Z: 37 33.923 2.081 0.733 0.641 0.889 0.611 CA 1.546 37 residues pruned to eliminate duplicates Z: 51 32.865 2.021 0.599 0.558 0.880 0.560 CA 1.544 51 residues pruned to eliminate duplicates Z: 35 31.040 2.046 0.729 0.690 0.882 0.647 CA 1.433 35 residues pruned to eliminate duplicates Z: 44 36.672 2.074 0.716 0.620 0.907 0.581 CA 1.547 44 residues pruned to eliminate duplicates Z: 49 34.077 2.055 0.674 0.564 0.896 0.562 CB 1.500 49 residues pruned to eliminate duplicates Z: 53 35.129 2.020 0.702 0.549 0.865 0.481 CA 1.562 53 residues pruned to eliminate duplicates Z: 17 29.950 2.020 0.972 0.838 0.875 0.312 CA 1.605 17 residues pruned to eliminate duplicates Z: 11 11.744 1.894 0.500 0.620 0.800 0.400 CB 1.459 11 residues pruned to eliminate duplicates Z: 46 36.025 2.051 0.709 0.622 0.911 0.489 CB 1.499 46 residues pruned to eliminate duplicates Z: 45 34.210 2.079 0.771 0.610 0.818 0.318 CB 1.542 45 residues pruned to eliminate duplicates Z: 18 17.556 1.960 0.656 0.653 0.706 0.176 N 1.612 18 residues pruned to eliminate duplicates Z: 8 10.784 1.804 1.104 0.704 0.714 0.286 CA 1.249 8 residues pruned to eliminate duplicates Z: 30 16.795 1.914 0.600 0.447 0.759 0.483 CA 1.418 30 residues pruned to eliminate duplicates Z: 18 20.863 1.976 0.715 0.668 0.765 0.235 N 1.672 18 residues pruned to eliminate duplicates Z: 46 35.350 1.990 0.794 0.622 0.844 0.467 CB 1.557 46 residues pruned to eliminate duplicates Z: 38 38.414 2.072 0.833 0.666 0.892 0.486 CB 1.599 38 residues pruned to eliminate duplicates Z: 15 10.764 1.898 0.671 0.372 0.714 0.286 CB 1.457 15 residues pruned to eliminate duplicates Z: 18 19.582 1.965 0.882 0.647 0.706 0.471 CA 1.587 18 residues pruned to eliminate duplicates Z: 6 6.508 1.673 0.667 0.262 1.000 0.200 CB 1.370 6 residues pruned to eliminate duplicates Z: 7 6.202 1.793 0.507 0.353 0.833 0.500 C 1.318 7 residues pruned to eliminate duplicates Z: 40 36.849 2.041 0.744 0.653 0.897 0.436 CA 1.602 40 residues pruned to eliminate duplicates Z: 6 2.117 1.556 0.236 0.287 0.600 0.600 CA 1.043 6 residues pruned to eliminate duplicates Z: 15 9.381 1.784 0.603 0.302 0.857 0.357 CA 1.275 15 residues pruned to eliminate duplicates Z: 24 11.950 1.772 0.492 0.337 0.870 0.478 CB 1.295 32 residues pruned to eliminate duplicates Z: 12 10.386 1.980 0.696 0.369 0.909 0.273 CA 1.181 12 residues pruned to eliminate duplicates Z: 10 9.058 1.939 0.711 0.492 0.778 0.444 CA 1.179 10 residues pruned to eliminate duplicates Z: 8 15.618 2.069 0.993 0.485 1.000 0.429 CA 1.453 14 residues pruned to eliminate duplicates Z: 28 20.983 2.244 0.520 0.343 0.852 0.444 CA 1.648 28 residues pruned to eliminate duplicates Z: 9 8.888 1.745 0.763 0.521 0.875 0.500 CA 1.144 Z: 27 25.233 2.267 0.573 0.352 0.962 0.538 CA 1.693 34 residues pruned to eliminate duplicates Z: 6 8.820 1.845 1.230 0.331 1.000 0.400 CA 1.154 6 residues pruned to eliminate duplicates Z: 13 17.288 2.262 0.605 0.428 0.917 0.417 CA 1.615 13 residues pruned to eliminate duplicates Z: 51 28.180 2.195 0.420 0.347 0.920 0.440 CA 1.642 53 residues pruned to eliminate duplicates Z: 7 7.100 1.884 0.355 0.380 1.000 0.333 CA 1.291 7 residues pruned to eliminate duplicates Z: 26 22.533 2.283 0.527 0.308 0.960 0.400 CA 1.665 26 residues pruned to eliminate duplicates Z: 29 20.213 2.198 0.632 0.290 0.821 0.429 CA 1.640 29 residues pruned to eliminate duplicates Z: 56 27.368 2.178 0.471 0.346 0.855 0.473 CB 1.593 56 residues pruned to eliminate duplicates Z: 27 18.878 2.256 0.482 0.314 0.846 0.385 CA 1.609 27 residues pruned to eliminate duplicates Z: 27 23.217 2.254 0.622 0.354 0.962 0.500 CA 1.517 27 residues pruned to eliminate duplicates Z: 56 26.654 2.188 0.381 0.347 0.873 0.418 CB 1.610 56 residues pruned to eliminate duplicates Z: 7 3.549 1.441 0.564 0.427 1.000 0.667 C 0.694 7 residues pruned to eliminate duplicates Z: 26 20.021 2.244 0.655 0.270 0.960 0.520 CA 1.458 27 residues pruned to eliminate duplicates Z: 7 4.866 2.009 0.044 0.416 0.833 0.500 CA 1.241 7 residues pruned to eliminate duplicates Z: 21 14.907 2.115 0.308 0.374 0.950 0.650 CA 1.451 21 residues pruned to eliminate duplicates Z: 27 19.679 2.264 0.570 0.307 0.885 0.577 CA 1.522 26 residues pruned to eliminate duplicates Z: 6 3.554 1.530 0.215 0.558 1.000 0.800 CA 0.808 6 residues pruned to eliminate duplicates Z: 56 30.112 2.227 0.450 0.333 0.909 0.473 CA 1.660 56 residues pruned to eliminate duplicates Z: 6 5.793 1.527 0.815 0.327 1.000 0.600 CA 1.131 6 residues pruned to eliminate duplicates Z: 29 17.079 2.131 0.354 0.387 0.857 0.500 CB 1.472 29 residues pruned to eliminate duplicates Z: 27 18.013 2.166 0.342 0.421 0.885 0.577 CB 1.491 27 residues pruned to eliminate duplicates Z: 34 17.687 2.099 0.325 0.365 0.818 0.485 CB 1.564 34 residues pruned to eliminate duplicates Z: 51 25.133 2.186 0.505 0.347 0.840 0.500 CA 1.519 51 residues pruned to eliminate duplicates Z: 60 29.043 2.160 0.494 0.316 0.898 0.475 CB 1.598 60 residues pruned to eliminate duplicates Z: 32 17.564 2.023 0.391 0.357 0.871 0.516 CB 1.502 32 residues pruned to eliminate duplicates Z: 51 30.053 2.202 0.578 0.349 0.900 0.460 CA 1.600 51 residues pruned to eliminate duplicates Z: 7 4.262 1.728 0.555 0.510 0.667 0.500 N 0.961 7 residues pruned to eliminate duplicates Z: 51 26.879 2.187 0.540 0.337 0.860 0.460 CA 1.568 51 residues pruned to eliminate duplicates Z: 54 28.425 2.226 0.449 0.340 0.887 0.472 CA 1.626 54 residues pruned to eliminate duplicates Z: 63 28.147 2.138 0.455 0.338 0.871 0.435 CA 1.574 63 residues pruned to eliminate duplicates Z: 56 27.610 2.181 0.420 0.333 0.891 0.527 CA 1.620 56 residues pruned to eliminate duplicates Z: 8 6.972 1.646 0.325 0.457 1.000 0.429 N 1.263 8 residues pruned to eliminate duplicates Z: 30 16.594 2.082 0.342 0.361 0.862 0.517 CB 1.486 30 residues pruned to eliminate duplicates Z: 17 11.198 2.166 0.281 0.364 0.812 0.312 CB 1.437 17 residues pruned to eliminate duplicates Z: 24 13.004 2.056 0.334 0.330 0.783 0.435 CB 1.522 24 residues pruned to eliminate duplicates Z: 27 16.853 2.232 0.261 0.358 0.885 0.500 CB 1.546 27 residues pruned to eliminate duplicates Z: 16 7.170 2.198 -0.016 0.319 0.667 0.400 CB 1.567 16 residues pruned to eliminate duplicates Z: 18 8.375 2.001 0.219 0.273 0.765 0.353 CB 1.409 18 residues pruned to eliminate duplicates Z: 33 16.202 2.086 0.346 0.332 0.844 0.438 CB 1.452 33 residues pruned to eliminate duplicates Z: 17 7.513 2.092 0.430 0.238 0.688 0.312 CB 1.237 17 residues pruned to eliminate duplicates Z: 10 4.129 2.072 0.416 0.150 0.778 0.222 CB 0.928 10 residues pruned to eliminate duplicates Z: 6 5.113 1.706 0.189 0.499 0.800 0.400 N 1.410 6 residues pruned to eliminate duplicates Z: 16 9.687 2.128 0.377 0.302 0.800 0.333 CB 1.330 16 residues pruned to eliminate duplicates Z: 98 42.475 2.205 0.495 0.429 0.866 0.536 CA 1.626 98 residues pruned to eliminate duplicates Z: 53 35.562 2.243 0.390 0.562 0.904 0.519 CB 1.647 53 residues pruned to eliminate duplicates Z: 33 30.818 2.238 0.335 0.656 0.938 0.594 CA 1.682 33 residues pruned to eliminate duplicates Z: 44 39.910 2.213 0.478 0.705 1.000 0.721 CA 1.544 44 residues pruned to eliminate duplicates Z: 9 6.329 2.025 0.398 0.491 0.875 0.750 CA 0.912 9 residues pruned to eliminate duplicates Z: 42 23.360 2.178 0.444 0.438 0.805 0.463 CB 1.536 42 residues pruned to eliminate duplicates Z: 83 39.306 2.202 0.495 0.400 0.890 0.512 CA 1.647 83 residues pruned to eliminate duplicates Z: 59 38.605 2.221 0.409 0.594 0.948 0.586 CB 1.562 59 residues pruned to eliminate duplicates Z: 77 36.388 2.147 0.353 0.554 0.868 0.539 CB 1.569 77 residues pruned to eliminate duplicates Z: 43 37.351 2.235 0.410 0.685 0.952 0.667 CA 1.620 43 residues pruned to eliminate duplicates Z: 78 38.224 2.173 0.424 0.507 0.896 0.494 CB 1.559 78 residues pruned to eliminate duplicates Z: 40 32.345 2.215 0.358 0.627 0.949 0.590 CB 1.611 40 residues pruned to eliminate duplicates Z: 40 37.158 2.231 0.484 0.672 0.949 0.641 CB 1.616 40 residues pruned to eliminate duplicates Z: 39 37.802 2.219 0.487 0.646 0.947 0.579 CB 1.712 39 residues pruned to eliminate duplicates Z: 30 35.029 2.207 0.624 0.677 0.966 0.517 CA 1.597 30 residues pruned to eliminate duplicates Z: 68 42.530 2.215 0.499 0.577 0.910 0.493 CB 1.596 68 residues pruned to eliminate duplicates Z: 40 35.272 2.200 0.477 0.651 0.949 0.538 CA 1.591 40 residues pruned to eliminate duplicates Z: 80 33.561 2.174 0.483 0.341 0.861 0.405 CB 1.616 80 residues pruned to eliminate duplicates Z: 54 38.597 2.230 0.385 0.592 0.962 0.528 CB 1.634 54 residues pruned to eliminate duplicates Z: 58 39.230 2.156 0.401 0.618 0.982 0.561 CB 1.566 58 residues pruned to eliminate duplicates Z: 33 26.053 2.126 0.391 0.628 0.938 0.562 CB 1.472 33 residues pruned to eliminate duplicates Z: 35 31.688 2.235 0.516 0.561 0.941 0.588 CB 1.606 35 residues pruned to eliminate duplicates Z: 40 36.114 2.225 0.637 0.610 0.923 0.462 CB 1.549 40 residues pruned to eliminate duplicates Z: 53 46.584 2.269 0.560 0.629 1.000 0.596 CB 1.617 53 residues pruned to eliminate duplicates Z: 40 35.562 2.188 0.572 0.593 0.974 0.564 CA 1.554 40 residues pruned to eliminate duplicates Z: 40 39.975 2.193 0.607 0.624 0.974 0.692 CB 1.658 40 residues pruned to eliminate duplicates Z: 65 37.461 2.221 0.416 0.550 0.906 0.500 CB 1.565 65 residues pruned to eliminate duplicates Z: 71 48.380 2.240 0.641 0.584 0.943 0.600 CB 1.538 71 residues pruned to eliminate duplicates Z: 40 35.515 2.222 0.625 0.591 0.949 0.615 CB 1.521 40 residues pruned to eliminate duplicates Z: 38 37.449 2.228 0.567 0.626 1.000 0.595 CB 1.567 38 residues pruned to eliminate duplicates Z: 17 12.707 2.186 0.247 0.510 0.750 0.438 CB 1.537 17 residues pruned to eliminate duplicates Z: 80 43.075 2.167 0.568 0.552 0.873 0.519 CB 1.553 80 residues pruned to eliminate duplicates Z: 16 13.482 2.204 0.012 0.539 0.933 0.600 CB 1.609 16 residues pruned to eliminate duplicates Z: 43 39.363 2.244 0.534 0.655 0.976 0.500 CB 1.566 43 residues pruned to eliminate duplicates Z: 40 32.425 2.197 0.508 0.578 0.897 0.615 CB 1.619 40 residues pruned to eliminate duplicates Z: 39 37.361 2.233 0.561 0.605 0.974 0.526 CA 1.617 39 residues pruned to eliminate duplicates Z: 41 23.818 2.090 0.460 0.503 0.850 0.425 CB 1.448 41 residues pruned to eliminate duplicates Z: 60 39.556 2.204 0.537 0.593 0.949 0.593 CB 1.465 60 residues pruned to eliminate duplicates Z: 80 40.248 2.188 0.549 0.559 0.848 0.506 CB 1.487 80 residues pruned to eliminate duplicates Z: 76 44.564 2.183 0.568 0.567 0.947 0.453 CB 1.487 76 residues pruned to eliminate duplicates Z: 55 34.381 2.186 0.601 0.541 0.926 0.481 CB 1.387 55 residues pruned to eliminate duplicates Z: 11 11.077 2.210 -0.028 0.823 0.900 0.600 CB 1.370 11 residues pruned to eliminate duplicates Z: 27 18.995 2.254 0.357 0.496 0.846 0.385 CB 1.445 27 residues pruned to eliminate duplicates Z: 48 28.072 2.165 0.516 0.507 0.915 0.489 CB 1.355 48 residues pruned to eliminate duplicates Z: 80 41.462 2.212 0.488 0.544 0.911 0.494 CB 1.490 80 residues pruned to eliminate duplicates Z: 73 46.789 2.212 0.527 0.600 0.931 0.556 CB 1.594 73 residues pruned to eliminate duplicates Z: 33 23.158 2.059 0.626 0.459 0.906 0.469 CB 1.407 33 residues pruned to eliminate duplicates Z: 28 20.739 2.229 0.413 0.486 0.889 0.444 CB 1.446 28 residues pruned to eliminate duplicates Z: 35 26.498 2.224 0.555 0.514 0.941 0.471 CB 1.376 35 residues pruned to eliminate duplicates Z: 26 22.382 2.295 0.522 0.479 0.880 0.320 CB 1.487 26 residues pruned to eliminate duplicates Z: 40 31.506 2.244 0.594 0.596 0.872 0.436 CB 1.476 40 residues pruned to eliminate duplicates Z: 55 36.907 2.153 0.585 0.551 0.926 0.574 CB 1.512 55 residues pruned to eliminate duplicates Z: 7 3.965 1.975 0.176 0.190 0.833 0.500 CB 1.213 7 residues pruned to eliminate duplicates Z: 49 28.726 2.145 0.462 0.521 0.896 0.583 CB 1.445 49 residues pruned to eliminate duplicates Z: 82 41.404 2.196 0.551 0.529 0.889 0.407 CB 1.476 82 residues pruned to eliminate duplicates Z: 52 33.675 2.224 0.588 0.559 0.922 0.529 CB 1.368 52 residues pruned to eliminate duplicates Z: 66 45.240 2.216 0.582 0.614 0.954 0.523 CB 1.505 66 residues pruned to eliminate duplicates Z: 44 26.584 2.195 0.426 0.470 0.953 0.465 CB 1.401 44 residues pruned to eliminate duplicates Z: 10 12.255 2.177 0.619 0.577 0.778 0.667 CB 1.383 10 residues pruned to eliminate duplicates Z: 73 48.930 2.220 0.664 0.571 0.958 0.569 CB 1.521 73 residues pruned to eliminate duplicates Z: 75 47.738 2.199 0.580 0.582 0.946 0.568 CB 1.560 75 residues pruned to eliminate duplicates Z: 18 25.944 2.120 0.616 0.653 1.000 0.647 CB 1.593 18 residues pruned to eliminate duplicates Z: 79 42.261 2.159 0.516 0.540 0.923 0.462 CB 1.523 79 residues pruned to eliminate duplicates Z: 31 24.854 2.154 0.593 0.461 0.900 0.600 CB 1.528 31 residues pruned to eliminate duplicates Z: 70 40.003 2.172 0.602 0.531 0.870 0.406 CB 1.544 70 residues pruned to eliminate duplicates Z: 71 48.631 2.234 0.608 0.587 0.957 0.557 CB 1.555 71 residues pruned to eliminate duplicates Z: 11 14.720 1.932 0.452 0.832 0.900 0.600 CA 1.384 11 residues pruned to eliminate duplicates Z: 16 9.303 1.716 0.811 0.353 0.733 0.333 CB 1.235 16 residues pruned to eliminate duplicates Z: 11 16.165 1.923 0.656 0.845 1.000 0.400 CA 1.193 11 residues pruned to eliminate duplicates Z: 14 20.778 2.039 0.575 0.705 0.923 0.385 CA 1.613 14 residues pruned to eliminate duplicates Z: 76 50.329 2.216 0.640 0.598 0.933 0.533 CB 1.561 76 residues pruned to eliminate duplicates Z: 29 20.276 2.039 0.449 0.618 0.857 0.571 CB 1.354 29 residues pruned to eliminate duplicates Z: 24 24.163 2.148 0.407 0.750 0.957 0.609 CB 1.394 24 residues pruned to eliminate duplicates Z: 23 23.526 2.170 0.444 0.745 0.955 0.682 CB 1.347 23 residues pruned to eliminate duplicates Z: 24 22.419 2.153 0.467 0.704 0.913 0.565 CB 1.347 24 residues pruned to eliminate duplicates Z: 26 23.461 2.036 0.406 0.731 1.000 0.600 CB 1.332 26 residues pruned to eliminate duplicates Z: 22 25.084 2.180 0.606 0.684 0.952 0.714 CB 1.386 22 residues pruned to eliminate duplicates Z: 26 21.627 2.067 0.564 0.686 0.840 0.600 CB 1.343 26 residues pruned to eliminate duplicates Z: 31 26.686 2.022 0.484 0.664 0.933 0.567 CB 1.494 34 residues pruned to eliminate duplicates Z: 21 27.218 2.228 0.727 0.870 0.900 0.450 CB 1.283 21 residues pruned to eliminate duplicates Z: 20 19.028 2.197 0.395 0.880 0.842 0.632 CB 1.226 20 residues pruned to eliminate duplicates Z: 25 29.374 2.151 0.610 0.713 0.958 0.625 CB 1.489 24 residues pruned to eliminate duplicates Z: 23 30.200 2.161 0.820 0.830 0.909 0.682 CB 1.354 31 residues pruned to eliminate duplicates Z: 21 32.283 2.220 0.889 0.868 0.900 0.450 CB 1.398 22 residues pruned to eliminate duplicates Z: 16 23.534 2.243 0.750 0.778 0.867 0.533 CB 1.397 16 residues pruned to eliminate duplicates Z: 34 22.373 1.972 0.601 0.577 0.818 0.485 CB 1.401 34 residues pruned to eliminate duplicates Z: 24 22.671 2.126 0.762 0.702 0.783 0.348 CB 1.341 24 residues pruned to eliminate duplicates Z: 26 27.719 2.108 0.775 0.687 0.880 0.440 CB 1.418 26 residues pruned to eliminate duplicates Z: 25 27.514 2.156 0.699 0.700 0.958 0.500 CB 1.333 25 residues pruned to eliminate duplicates Z: 26 22.588 2.090 0.658 0.684 0.800 0.520 CB 1.376 26 residues pruned to eliminate duplicates Z: 26 22.776 2.080 0.739 0.687 0.800 0.480 CB 1.326 26 residues pruned to eliminate duplicates Z: 25 30.121 2.142 0.685 0.732 1.000 0.542 CB 1.383 25 residues pruned to eliminate duplicates Z: 20 10.137 1.844 0.272 0.432 0.842 0.368 CA 1.264 18 residues pruned to eliminate duplicates Z: 6 3.897 1.693 0.421 0.639 0.800 0.600 CA 0.795 6 residues pruned to eliminate duplicates Z: 34 17.222 2.032 0.279 0.368 0.848 0.394 CB 1.565 38 residues pruned to eliminate duplicates Z: 6 5.633 1.943 -0.012 0.785 1.000 0.600 CA 1.021 6 residues pruned to eliminate duplicates Z: 7 4.837 1.932 0.047 0.503 1.000 0.333 CA 0.973 7 residues pruned to eliminate duplicates Z: 27 14.965 2.013 0.256 0.398 0.846 0.385 CB 1.527 27 residues pruned to eliminate duplicates Z: 20 12.766 2.001 0.325 0.365 0.789 0.368 CB 1.618 20 residues pruned to eliminate duplicates Z: 7 2.586 1.415 0.139 0.452 0.833 0.500 N 0.826 7 residues pruned to eliminate duplicates Z: 27 15.038 2.025 0.255 0.405 0.885 0.423 CB 1.450 27 residues pruned to eliminate duplicates Z: 32 16.079 2.060 0.277 0.341 0.806 0.387 CB 1.618 32 residues pruned to eliminate duplicates Z: 27 15.371 2.020 0.357 0.397 0.923 0.346 CB 1.329 27 residues pruned to eliminate duplicates Z: 6 6.321 1.718 0.986 0.491 0.800 0.200 CA 1.045 6 residues pruned to eliminate duplicates Z: 26 9.982 1.906 0.312 0.241 0.760 0.320 CB 1.418 26 residues pruned to eliminate duplicates Z: 31 15.351 1.996 0.226 0.352 0.900 0.367 CB 1.493 31 residues pruned to eliminate duplicates Z: 17 8.250 1.935 0.198 0.240 0.938 0.250 CB 1.282 17 residues pruned to eliminate duplicates Z: 30 12.484 2.013 0.256 0.348 0.759 0.345 CB 1.425 30 residues pruned to eliminate duplicates Z: 21 12.026 2.051 0.425 0.259 0.800 0.350 CB 1.516 21 residues pruned to eliminate duplicates Z: 22 11.681 2.028 0.257 0.261 0.857 0.333 CB 1.534 22 residues pruned to eliminate duplicates Z: 20 11.331 2.029 0.558 0.279 0.737 0.421 CA 1.433 20 residues pruned to eliminate duplicates Z: 6 3.210 1.714 -0.058 0.283 1.000 0.400 C 1.135 6 residues pruned to eliminate duplicates Z: 34 16.455 2.012 0.319 0.340 0.818 0.424 CB 1.571 34 residues pruned to eliminate duplicates Z: 6 4.532 1.687 0.328 0.636 0.600 0.200 N 1.327 6 residues pruned to eliminate duplicates Z: 15 10.886 1.934 0.645 0.485 0.714 0.429 CA 1.300 15 residues pruned to eliminate duplicates Z: 13 9.800 1.972 0.545 0.489 0.833 0.417 CB 1.127 13 residues pruned to eliminate duplicates Z: 16 9.313 1.834 0.507 0.581 0.733 0.467 CB 1.098 16 residues pruned to eliminate duplicates Z: 18 10.441 1.903 0.620 0.393 0.765 0.412 CB 1.202 20 residues pruned to eliminate duplicates Z: 11 7.673 1.816 0.403 0.476 0.900 0.700 CB 1.085 9 residues pruned to eliminate duplicates Z: 8 7.132 1.922 0.587 0.512 0.714 0.571 CB 1.223 8 residues pruned to eliminate duplicates Z: 10 6.548 1.807 0.596 0.573 0.778 0.667 CB 0.907 10 residues pruned to eliminate duplicates Z: 6 6.508 2.014 0.466 0.699 0.600 0.600 CB 1.369 6 residues pruned to eliminate duplicates Z: 13 8.845 1.906 0.649 0.511 0.833 0.583 CB 0.964 13 residues pruned to eliminate duplicates Z: 10 7.042 1.905 0.642 0.433 0.778 0.333 CB 1.034 10 residues pruned to eliminate duplicates Z: 13 7.867 1.906 0.210 0.381 0.833 0.333 CA 1.341 13 residues pruned to eliminate duplicates Z: 7 2.704 1.555 0.403 0.376 0.667 0.000 N 0.866 7 residues pruned to eliminate duplicates Z: 20 11.909 2.029 0.173 0.458 0.842 0.368 CA 1.423 20 residues pruned to eliminate duplicates Z: 20 12.025 2.007 0.140 0.508 0.842 0.474 CA 1.421 20 residues pruned to eliminate duplicates Z: 44 18.945 2.046 0.311 0.368 0.814 0.512 CB 1.525 45 residues pruned to eliminate duplicates Z: 7 2.792 1.602 0.593 0.239 0.833 0.333 CA 0.725 7 residues pruned to eliminate duplicates Z: 18 11.652 2.079 0.055 0.497 0.882 0.588 CB 1.464 18 residues pruned to eliminate duplicates Z: 46 15.715 2.039 0.373 0.343 0.733 0.422 CB 1.354 46 residues pruned to eliminate duplicates Z: 13 15.160 2.260 0.272 0.560 0.917 0.750 CA 1.567 13 residues pruned to eliminate duplicates Z: 18 11.639 2.087 0.116 0.497 0.824 0.471 CB 1.476 18 residues pruned to eliminate duplicates Z: 24 13.780 2.070 0.293 0.383 0.783 0.522 CA 1.553 24 residues pruned to eliminate duplicates Z: 15 12.264 2.105 0.529 0.440 0.714 0.500 CB 1.517 15 residues pruned to eliminate duplicates Z: 27 12.003 1.965 0.399 0.360 0.731 0.500 CB 1.363 27 residues pruned to eliminate duplicates Z: 26 13.180 2.114 0.302 0.400 0.680 0.440 CB 1.565 26 residues pruned to eliminate duplicates Z: 6 2.861 1.367 0.366 0.477 0.800 0.800 CA 0.876 6 residues pruned to eliminate duplicates Z: 11 4.633 1.859 0.174 0.239 0.700 0.500 CB 1.297 11 residues pruned to eliminate duplicates Z: 44 20.167 2.047 0.334 0.361 0.860 0.512 CB 1.520 44 residues pruned to eliminate duplicates Z: 43 15.543 1.995 0.254 0.314 0.810 0.357 CB 1.456 43 residues pruned to eliminate duplicates Z: 36 17.207 2.001 0.318 0.353 0.857 0.400 CA 1.509 36 residues pruned to eliminate duplicates Z: 34 22.363 2.024 0.435 0.438 0.939 0.545 CB 1.521 34 residues pruned to eliminate duplicates Z: 19 9.963 2.010 0.156 0.325 0.833 0.222 CB 1.470 19 residues pruned to eliminate duplicates Z: 18 11.477 2.031 0.331 0.383 0.824 0.471 CB 1.417 18 residues pruned to eliminate duplicates Z: 21 13.541 2.024 0.243 0.377 0.900 0.450 CB 1.525 21 residues pruned to eliminate duplicates Z: 27 11.694 2.011 0.090 0.311 0.846 0.462 CB 1.524 27 residues pruned to eliminate duplicates Z: 19 10.238 1.935 0.291 0.370 0.833 0.278 CB 1.333 19 residues pruned to eliminate duplicates Z: 32 15.974 1.887 0.418 0.366 0.968 0.419 CB 1.279 32 residues pruned to eliminate duplicates Z: 33 19.312 2.021 0.274 0.453 0.906 0.656 CA 1.535 33 residues pruned to eliminate duplicates Z: 19 12.336 1.991 0.381 0.412 0.889 0.611 CB 1.305 19 residues pruned to eliminate duplicates Z: 39 17.393 1.876 0.543 0.367 0.868 0.395 CA 1.295 39 residues pruned to eliminate duplicates Z: 6 2.093 1.417 0.597 0.205 0.800 0.400 CA 0.734 6 residues pruned to eliminate duplicates Z: 13 8.916 1.673 0.347 0.427 0.917 0.417 CA 1.345 13 residues pruned to eliminate duplicates Z: 28 18.563 1.912 0.369 0.471 0.926 0.630 CA 1.518 38 residues pruned to eliminate duplicates Z: 6 3.366 1.774 0.000 0.293 0.800 0.600 C 1.338 6 residues pruned to eliminate duplicates Z: 15 14.722 2.042 0.308 0.572 0.929 0.643 CB 1.479 15 residues pruned to eliminate duplicates Z: 12 12.973 2.078 0.142 0.618 0.909 0.909 CB 1.622 12 residues pruned to eliminate duplicates Z: 12 15.355 2.108 0.205 0.659 1.000 0.636 CA 1.572 12 residues pruned to eliminate duplicates Z: 14 12.393 2.053 0.158 0.581 0.923 0.615 CB 1.449 14 residues pruned to eliminate duplicates Z: 15 14.176 2.034 0.257 0.641 1.000 0.643 CB 1.299 15 residues pruned to eliminate duplicates Z: 6 3.604 1.881 0.044 0.266 0.800 0.800 CB 1.340 6 residues pruned to eliminate duplicates Z: 12 17.363 2.078 0.460 0.594 1.000 0.818 CB 1.578 12 residues pruned to eliminate duplicates Z: 7 5.860 1.612 1.015 0.338 0.833 0.500 CA 1.055 Z: 6 3.196 1.654 0.272 0.332 1.000 0.800 CA 0.817 Z: 19 20.044 1.996 0.607 0.580 0.944 0.722 CA 1.444 54 residues pruned to eliminate duplicates Z: 8 13.287 1.989 0.736 0.681 0.857 0.429 CA 1.437 8 residues pruned to eliminate duplicates Z: 11 10.972 1.789 0.626 0.634 0.900 0.600 CA 1.169 11 residues pruned to eliminate duplicates Z: 18 19.590 2.081 0.472 0.584 0.941 0.647 CA 1.521 18 residues pruned to eliminate duplicates Z: 10 16.385 1.881 0.736 0.768 1.000 0.444 CB 1.320 10 residues pruned to eliminate duplicates Z: 19 17.937 2.009 0.732 0.545 0.889 0.667 CA 1.308 19 residues pruned to eliminate duplicates Z: 19 20.087 2.044 0.588 0.578 0.944 0.556 CA 1.432 19 residues pruned to eliminate duplicates Z: 21 16.646 1.950 0.599 0.521 0.900 0.550 CA 1.299 21 residues pruned to eliminate duplicates 496 residues left after pruning, divided into chains as follows: A: 6 B: 7 C: 13 D: 15 E: 18 F: 13 G: 19 H: 8 I: 91 J: 8 K: 133 L: 22 M: 34 N: 20 O: 59 P: 12 Q: 18 CC for partial structure against native data = 17.49 % ------------------------------------------------------------------------------ Global autotracing cycle 17 = 0.300, Contrast = 0.417, Connect. = 0.678 for dens.mod. cycle 1 = 0.300, Contrast = 0.481, Connect. = 0.701 for dens.mod. cycle 2 = 0.300, Contrast = 0.552, Connect. = 0.736 for dens.mod. cycle 3 = 0.300, Contrast = 0.558, Connect. = 0.741 for dens.mod. cycle 4 = 0.300, Contrast = 0.565, Connect. = 0.746 for dens.mod. cycle 5 = 0.300, Contrast = 0.569, Connect. = 0.750 for dens.mod. cycle 6 = 0.300, Contrast = 0.572, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.574, Connect. = 0.755 for dens.mod. cycle 8 = 0.300, Contrast = 0.575, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.576, Connect. = 0.758 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6885 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1187 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 29.075 2.185 0.561 0.865 1.000 0.714 CA 1.362 B: 22 26.807 2.197 0.661 0.794 1.000 0.524 CA 1.239 22 residues pruned to eliminate duplicates C: 23 29.480 2.180 0.362 0.848 0.909 0.455 CB 1.727 D: 17 30.065 2.239 0.616 0.845 0.938 0.688 CB 1.648 19 residues pruned to eliminate duplicates E: 23 34.187 2.195 0.627 0.885 0.955 0.636 CB 1.544 23 residues pruned to eliminate duplicates F: 20 30.824 2.035 0.746 0.907 0.947 0.737 CA 1.493 20 residues pruned to eliminate duplicates G: 17 30.363 2.295 0.399 0.855 1.000 0.625 CA 1.745 17 residues pruned to eliminate duplicates H: 17 17.065 2.093 0.245 0.604 1.000 0.688 CB 1.484 I: 22 30.527 2.171 0.325 0.905 1.000 0.857 CA 1.649 21 residues pruned to eliminate duplicates J: 18 11.456 2.109 0.131 0.485 0.882 0.294 CA 1.341 K: 25 18.459 2.234 0.226 0.561 0.917 0.583 CB 1.414 L: 21 36.268 2.289 0.429 0.893 1.000 0.650 CB 1.779 22 residues pruned to eliminate duplicates M: 29 20.000 2.142 0.417 0.458 0.929 0.536 CB 1.400 27 residues pruned to eliminate duplicates N: 21 32.058 2.234 0.458 0.858 0.950 0.650 CA 1.706 21 residues pruned to eliminate duplicates O: 20 31.405 2.177 0.525 0.909 1.000 0.947 CB 1.540 20 residues pruned to eliminate duplicates P: 22 24.359 2.065 0.330 0.884 1.000 0.667 CB 1.398 22 residues pruned to eliminate duplicates Q: 17 19.453 2.145 0.265 0.875 0.938 0.688 CB 1.390 17 residues pruned to eliminate duplicates R: 20 31.871 2.325 0.420 0.880 0.947 0.789 CB 1.695 20 residues pruned to eliminate duplicates S: 13 11.783 2.026 0.237 0.490 0.833 0.500 CA 1.645 T: 21 27.449 1.997 0.488 0.891 1.000 0.900 CB 1.485 U: 14 39.755 2.438 0.646 0.935 1.000 0.538 CB 1.914 14 residues pruned to eliminate duplicates V: 12 17.713 2.139 0.444 0.783 1.000 0.364 CB 1.347 W: 22 33.128 2.220 0.456 0.885 1.000 0.667 CA 1.614 22 residues pruned to eliminate duplicates X: 20 26.796 2.173 0.260 0.875 1.000 0.947 CA 1.632 20 residues pruned to eliminate duplicates Y: 21 47.799 2.320 0.819 0.940 1.000 0.600 CB 1.758 21 residues pruned to eliminate duplicates Z: 12 10.694 2.058 0.234 0.743 0.818 0.455 CB 1.249 12 residues pruned to eliminate duplicates Z: 29 19.408 2.156 0.404 0.551 0.893 0.429 CB 1.291 35 residues pruned to eliminate duplicates Z: 11 10.415 1.963 0.616 0.540 0.900 0.500 CB 1.110 Z: 13 14.216 2.024 0.309 0.571 0.917 0.500 CB 1.579 Z: 9 8.722 2.036 0.328 0.587 1.000 0.375 CA 1.050 9 residues pruned to eliminate duplicates Z: 18 21.810 2.218 0.282 0.899 0.941 0.824 CA 1.412 18 residues pruned to eliminate duplicates Z: 11 6.114 1.984 0.325 0.431 0.600 0.500 CA 1.317 Z: 18 27.077 2.173 0.663 0.719 0.941 0.706 CB 1.584 Z: 14 10.975 1.893 0.209 0.566 0.923 0.385 CA 1.351 Z: 19 39.505 2.346 0.529 0.926 1.000 0.778 CB 1.820 19 residues pruned to eliminate duplicates Z: 11 13.015 1.819 0.618 0.806 0.800 0.800 CA 1.339 11 residues pruned to eliminate duplicates Z: 7 12.564 1.870 0.647 0.634 1.000 0.500 CA 1.469 Z: 21 33.969 2.251 0.469 0.881 1.000 0.650 CB 1.663 21 residues pruned to eliminate duplicates Z: 28 13.586 2.046 0.168 0.396 0.889 0.407 CB 1.374 28 residues pruned to eliminate duplicates Z: 14 12.876 2.125 0.448 0.342 0.923 0.462 CB 1.494 14 residues pruned to eliminate duplicates Z: 13 11.643 2.056 0.426 0.442 0.833 0.417 CB 1.460 Z: 16 26.629 2.278 0.565 0.897 1.000 0.800 CB 1.380 16 residues pruned to eliminate duplicates Z: 23 37.671 2.230 0.570 0.873 1.000 0.591 CB 1.670 23 residues pruned to eliminate duplicates Z: 12 11.645 2.069 0.313 0.729 0.818 0.455 CA 1.285 12 residues pruned to eliminate duplicates Z: 20 25.026 2.168 0.635 0.806 0.842 0.579 CA 1.473 20 residues pruned to eliminate duplicates Z: 22 32.119 2.169 0.529 0.848 0.905 0.429 CB 1.732 22 residues pruned to eliminate duplicates Z: 8 4.215 1.914 -0.009 0.484 0.571 0.571 CA 1.494 Z: 12 14.914 2.060 0.342 0.699 0.909 0.727 CB 1.491 13 residues pruned to eliminate duplicates Z: 11 12.815 2.111 -0.027 0.893 1.000 0.900 CA 1.416 11 residues pruned to eliminate duplicates Z: 12 12.274 2.163 0.255 0.459 0.909 0.636 CA 1.563 10 residues pruned to eliminate duplicates Z: 41 20.874 2.018 0.545 0.581 0.900 0.625 CA 1.088 10 residues pruned to eliminate duplicates Z: 22 29.249 1.990 0.548 0.888 1.000 0.762 CA 1.492 21 residues pruned to eliminate duplicates Z: 18 7.075 2.032 0.301 0.291 0.588 0.471 CB 1.395 18 residues pruned to eliminate duplicates Z: 14 27.514 2.311 0.481 0.897 1.000 0.615 CB 1.596 14 residues pruned to eliminate duplicates Z: 21 11.573 2.019 0.200 0.470 0.800 0.450 CA 1.377 19 residues pruned to eliminate duplicates Z: 22 23.585 2.205 0.287 0.854 1.000 0.714 CA 1.339 22 residues pruned to eliminate duplicates Z: 18 22.221 1.965 0.729 0.869 0.941 0.824 CA 1.231 18 residues pruned to eliminate duplicates Z: 22 39.164 2.238 0.674 0.889 1.000 0.524 CB 1.642 22 residues pruned to eliminate duplicates Z: 9 10.116 2.033 0.542 0.428 0.875 0.500 CB 1.405 Z: 23 33.802 2.168 0.545 0.889 0.955 0.591 CB 1.623 23 residues pruned to eliminate duplicates Z: 18 21.320 2.092 0.565 0.859 0.882 0.588 CA 1.317 18 residues pruned to eliminate duplicates Z: 15 14.318 2.084 0.608 0.563 0.929 0.643 CB 1.157 15 residues pruned to eliminate duplicates Z: 15 9.191 1.929 0.321 0.352 0.786 0.500 CA 1.441 Z: 11 8.516 2.173 0.384 0.246 0.800 0.300 CB 1.500 11 residues pruned to eliminate duplicates Z: 18 26.062 2.135 0.358 0.880 1.000 0.647 CB 1.579 18 residues pruned to eliminate duplicates Z: 11 11.014 1.942 0.624 0.789 0.800 0.500 CB 1.071 13 residues pruned to eliminate duplicates Z: 7 12.100 2.037 0.588 0.510 1.000 0.500 CA 1.513 Z: 29 21.058 2.192 0.589 0.372 0.857 0.500 CA 1.529 24 residues pruned to eliminate duplicates Z: 21 28.351 2.054 0.582 0.869 0.900 0.600 CA 1.583 21 residues pruned to eliminate duplicates Z: 19 17.332 2.087 0.563 0.588 0.889 0.611 CB 1.294 19 residues pruned to eliminate duplicates Z: 6 5.779 2.024 0.470 0.456 0.800 0.800 CA 1.136 6 residues pruned to eliminate duplicates Z: 12 16.100 2.072 0.258 0.832 1.000 0.818 CB 1.398 12 residues pruned to eliminate duplicates Z: 18 18.473 2.104 0.352 0.556 0.941 0.647 CA 1.585 17 residues pruned to eliminate duplicates Z: 23 27.960 2.044 0.542 0.855 0.864 0.545 CB 1.617 23 residues pruned to eliminate duplicates Z: 7 4.173 1.887 0.093 0.551 0.667 0.667 CB 1.180 Z: 20 9.705 1.983 0.220 0.422 0.789 0.474 CA 1.265 20 residues pruned to eliminate duplicates Z: 10 12.021 1.786 0.871 0.699 0.889 0.667 CA 1.125 Z: 16 18.789 2.087 0.365 0.584 1.000 0.733 CB 1.572 16 residues pruned to eliminate duplicates Z: 16 7.009 1.858 0.268 0.363 0.667 0.467 N 1.335 Z: 22 39.380 2.251 0.693 0.888 1.000 0.667 CB 1.625 22 residues pruned to eliminate duplicates Z: 10 8.364 1.887 0.556 0.325 0.778 0.444 CB 1.479 9 residues pruned to eliminate duplicates Z: 14 13.005 1.803 0.580 0.818 0.923 0.692 CA 1.041 14 residues pruned to eliminate duplicates Z: 22 29.654 2.161 0.686 0.858 1.000 0.571 CB 1.308 20 residues pruned to eliminate duplicates Z: 9 11.438 2.009 0.191 0.838 0.875 0.500 CA 1.444 9 residues pruned to eliminate duplicates Z: 12 12.946 1.866 0.641 0.858 0.818 0.273 CB 1.146 12 residues pruned to eliminate duplicates Z: 12 18.908 2.095 0.431 0.751 1.000 0.727 CA 1.520 12 residues pruned to eliminate duplicates Z: 14 13.875 1.940 0.561 0.871 1.000 0.769 CA 0.927 14 residues pruned to eliminate duplicates Z: 13 8.315 2.042 0.221 0.363 0.667 0.583 N 1.673 13 residues pruned to eliminate duplicates Z: 14 11.690 1.890 0.249 0.827 1.000 0.769 CA 1.035 13 residues pruned to eliminate duplicates Z: 28 15.580 1.904 0.301 0.491 0.852 0.630 CB 1.434 8 residues pruned to eliminate duplicates Z: 9 20.270 2.233 0.585 0.692 1.000 0.750 CB 1.698 9 residues pruned to eliminate duplicates Z: 13 5.934 1.611 0.247 0.488 0.833 0.667 N 1.036 Z: 12 16.586 2.077 0.434 0.802 1.000 0.545 CA 1.290 11 residues pruned to eliminate duplicates Z: 13 18.260 1.919 0.454 0.835 1.000 0.667 CA 1.415 13 residues pruned to eliminate duplicates Z: 21 32.781 2.277 0.462 0.897 0.950 0.800 CB 1.659 21 residues pruned to eliminate duplicates Z: 8 8.451 1.927 -0.114 0.838 1.000 0.571 C 1.399 Z: 6 10.861 1.982 0.394 0.661 1.000 0.800 CB 1.515 7 residues pruned to eliminate duplicates Z: 24 16.289 2.017 0.222 0.504 0.957 0.565 CB 1.434 24 residues pruned to eliminate duplicates Z: 7 3.434 1.651 -0.081 0.493 1.000 0.667 CB 0.930 Z: 27 18.619 2.101 0.546 0.440 0.885 0.577 CB 1.352 27 residues pruned to eliminate duplicates Z: 12 4.517 1.989 0.098 0.421 0.818 0.636 CB 0.827 9 residues pruned to eliminate duplicates Z: 11 13.918 1.787 0.664 0.827 0.800 0.600 CA 1.394 11 residues pruned to eliminate duplicates Z: 6 4.029 1.478 0.635 0.298 0.800 0.600 N 1.168 Z: 26 24.765 2.297 0.661 0.396 0.920 0.600 CA 1.576 27 residues pruned to eliminate duplicates Z: 12 13.297 2.124 0.214 0.592 1.000 0.727 CB 1.424 12 residues pruned to eliminate duplicates Z: 18 24.635 2.139 0.493 0.700 1.000 0.647 CB 1.559 18 residues pruned to eliminate duplicates Z: 28 24.802 2.220 0.583 0.474 0.926 0.519 CA 1.506 28 residues pruned to eliminate duplicates Z: 14 12.309 1.916 0.345 0.824 0.846 0.615 CB 1.183 14 residues pruned to eliminate duplicates Z: 13 11.380 2.044 0.173 0.523 0.917 0.917 CA 1.461 13 residues pruned to eliminate duplicates Z: 23 10.473 2.117 0.261 0.318 0.682 0.364 CB 1.499 12 residues pruned to eliminate duplicates Z: 11 9.870 1.850 0.690 0.416 0.900 0.600 CA 1.211 10 residues pruned to eliminate duplicates Z: 6 5.040 1.618 0.115 0.460 1.000 1.000 N 1.301 Z: 8 8.849 2.142 0.077 0.538 0.857 0.714 CA 1.629 Z: 11 13.306 1.834 0.549 0.851 0.800 0.700 CA 1.370 11 residues pruned to eliminate duplicates Z: 10 6.749 1.775 0.681 0.370 0.778 0.444 CA 1.114 10 residues pruned to eliminate duplicates Z: 6 9.710 2.039 0.098 0.720 1.000 0.600 CB 1.590 6 residues pruned to eliminate duplicates Z: 9 9.106 1.911 0.332 0.602 1.000 0.500 CB 1.148 5 residues pruned to eliminate duplicates Z: 11 5.968 1.423 0.422 0.345 0.900 0.400 C 1.227 Z: 10 13.875 1.906 0.440 0.873 1.000 0.556 CB 1.227 10 residues pruned to eliminate duplicates Z: 34 17.984 2.017 0.292 0.418 0.909 0.606 CB 1.440 37 residues pruned to eliminate duplicates Z: 7 11.390 2.119 0.305 0.658 1.000 0.667 CA 1.452 7 residues pruned to eliminate duplicates Z: 25 14.108 2.054 0.345 0.348 0.875 0.333 CA 1.404 12 residues pruned to eliminate duplicates Z: 11 15.826 2.068 0.500 0.602 1.000 0.900 CA 1.464 7 residues pruned to eliminate duplicates Z: 13 12.924 1.949 0.107 0.846 1.000 0.750 CA 1.284 13 residues pruned to eliminate duplicates Z: 11 15.546 2.046 0.469 0.787 0.900 0.500 CB 1.411 11 residues pruned to eliminate duplicates Z: 9 4.704 1.904 -0.127 0.463 0.750 0.500 CA 1.386 9 residues pruned to eliminate duplicates Z: 34 16.980 1.982 0.251 0.457 0.879 0.485 CA 1.418 34 residues pruned to eliminate duplicates Z: 11 11.327 1.942 0.233 0.530 1.000 0.600 CA 1.452 13 residues pruned to eliminate duplicates Z: 12 8.371 1.760 0.588 0.381 0.818 0.545 CB 1.253 Z: 16 7.574 2.125 0.181 0.346 0.733 0.333 CB 1.256 16 residues pruned to eliminate duplicates Z: 8 17.110 2.199 0.515 0.778 1.000 0.714 CA 1.520 8 residues pruned to eliminate duplicates Z: 8 7.699 1.962 0.398 0.411 0.857 0.714 CA 1.359 8 residues pruned to eliminate duplicates Z: 47 36.775 2.216 0.669 0.507 0.935 0.543 CB 1.558 40 residues pruned to eliminate duplicates Z: 8 7.069 1.836 0.329 0.730 1.000 0.714 CA 0.890 8 residues pruned to eliminate duplicates Z: 15 30.010 2.000 1.004 0.891 1.000 0.643 CB 1.438 15 residues pruned to eliminate duplicates Z: 9 9.677 1.894 0.164 0.723 0.875 0.625 CB 1.450 9 residues pruned to eliminate duplicates Z: 18 9.483 1.877 0.332 0.355 0.765 0.471 CA 1.407 Z: 10 15.183 1.794 0.926 0.814 1.000 0.667 CA 1.115 10 residues pruned to eliminate duplicates Z: 52 27.769 2.171 0.554 0.346 0.882 0.412 CA 1.545 54 residues pruned to eliminate duplicates Z: 39 16.823 2.048 0.310 0.333 0.842 0.447 CB 1.450 39 residues pruned to eliminate duplicates Z: 17 29.366 2.124 0.806 0.834 0.938 0.562 CB 1.530 17 residues pruned to eliminate duplicates Z: 17 7.570 1.970 0.367 0.270 0.688 0.375 CA 1.328 17 residues pruned to eliminate duplicates Z: 27 23.181 2.253 0.719 0.336 0.885 0.385 CA 1.587 27 residues pruned to eliminate duplicates Z: 19 10.271 1.766 0.345 0.372 0.778 0.556 CA 1.503 17 residues pruned to eliminate duplicates Z: 21 10.519 1.942 0.313 0.279 0.800 0.300 N 1.480 19 residues pruned to eliminate duplicates Z: 9 10.259 1.974 0.185 0.758 1.000 0.500 CB 1.233 Z: 7 4.459 1.758 0.621 0.483 0.833 0.667 CB 0.780 Z: 21 27.564 2.095 0.494 0.851 0.950 0.700 CA 1.534 21 residues pruned to eliminate duplicates Z: 24 14.987 1.922 0.519 0.570 0.913 0.652 CA 1.096 23 residues pruned to eliminate duplicates Z: 26 14.321 2.004 0.289 0.375 0.800 0.640 CB 1.583 22 residues pruned to eliminate duplicates Z: 13 15.966 2.133 0.367 0.618 0.917 0.500 CB 1.542 13 residues pruned to eliminate duplicates Z: 17 14.103 1.907 0.536 0.476 0.938 0.625 CA 1.315 18 residues pruned to eliminate duplicates Z: 11 10.402 2.165 0.271 0.461 0.800 0.600 CA 1.556 11 residues pruned to eliminate duplicates Z: 21 31.536 2.072 0.576 0.892 0.950 0.600 CA 1.633 21 residues pruned to eliminate duplicates Z: 14 9.062 1.815 0.229 0.513 0.769 0.462 CA 1.446 14 residues pruned to eliminate duplicates Z: 15 8.947 1.963 0.256 0.338 0.786 0.429 CB 1.473 18 residues pruned to eliminate duplicates Z: 13 6.280 1.893 0.490 0.326 0.667 0.500 CA 1.167 13 residues pruned to eliminate duplicates Z: 12 19.691 2.215 0.527 0.865 0.818 0.455 CA 1.572 12 residues pruned to eliminate duplicates Z: 22 28.763 2.019 0.547 0.896 1.000 0.857 CA 1.440 22 residues pruned to eliminate duplicates Z: 32 23.892 2.068 0.419 0.516 0.968 0.677 CA 1.487 37 residues pruned to eliminate duplicates Z: 17 13.041 1.917 0.424 0.445 0.875 0.500 CB 1.444 20 residues pruned to eliminate duplicates Z: 43 29.073 1.999 0.491 0.574 0.929 0.643 CA 1.510 27 residues pruned to eliminate duplicates Z: 24 18.333 2.140 0.325 0.353 0.957 0.478 CA 1.652 24 residues pruned to eliminate duplicates Z: 6 4.778 1.412 0.489 0.765 0.800 0.800 C 1.004 6 residues pruned to eliminate duplicates Z: 11 11.857 1.852 0.309 0.853 0.900 0.600 CA 1.270 11 residues pruned to eliminate duplicates Z: 12 13.028 2.015 0.112 0.529 1.000 0.727 CB 1.705 12 residues pruned to eliminate duplicates Z: 17 8.680 1.839 0.313 0.347 0.750 0.500 CA 1.415 17 residues pruned to eliminate duplicates Z: 6 6.677 1.792 0.280 0.666 1.000 0.400 CB 1.116 Z: 13 14.502 1.997 0.218 0.805 0.917 0.917 CA 1.439 13 residues pruned to eliminate duplicates Z: 10 11.010 1.765 0.566 0.805 1.000 0.778 CA 1.018 10 residues pruned to eliminate duplicates Z: 23 17.941 2.157 0.512 0.289 0.909 0.636 CA 1.636 23 residues pruned to eliminate duplicates Z: 9 6.825 1.890 0.267 0.799 0.500 0.500 CB 1.552 9 residues pruned to eliminate duplicates Z: 20 18.890 1.966 0.799 0.881 0.947 0.789 CA 0.937 20 residues pruned to eliminate duplicates Z: 11 3.803 1.820 0.145 0.391 0.800 0.300 CB 0.809 11 residues pruned to eliminate duplicates Z: 13 9.262 1.682 0.468 0.556 0.917 0.750 CB 1.118 Z: 6 2.240 1.601 0.184 0.257 1.000 1.000 CB 0.698 Z: 8 9.125 1.936 0.447 0.699 0.857 0.714 CA 1.198 7 residues pruned to eliminate duplicates Z: 17 9.145 1.843 0.497 0.483 0.750 0.562 CA 1.125 14 residues pruned to eliminate duplicates Z: 10 8.816 1.885 0.373 0.595 0.889 0.556 CB 1.166 10 residues pruned to eliminate duplicates Z: 7 10.542 2.057 0.152 0.639 1.000 0.667 CA 1.595 7 residues pruned to eliminate duplicates Z: 21 26.635 2.026 0.391 0.918 1.000 0.850 CA 1.491 21 residues pruned to eliminate duplicates Z: 6 10.488 1.977 0.667 0.716 1.000 0.800 CB 1.171 6 residues pruned to eliminate duplicates Z: 14 12.753 1.981 0.409 0.627 0.846 0.692 CA 1.329 14 residues pruned to eliminate duplicates Z: 14 15.815 1.992 0.510 0.660 0.846 0.615 CA 1.486 14 residues pruned to eliminate duplicates Z: 22 35.754 2.188 0.714 0.897 0.952 0.619 CB 1.564 26 residues pruned to eliminate duplicates Z: 20 21.129 2.031 0.740 0.882 0.895 0.526 CA 1.110 20 residues pruned to eliminate duplicates Z: 12 6.748 1.752 0.576 0.427 0.818 0.364 CB 0.971 Z: 6 11.611 2.016 0.699 0.656 0.800 0.600 CA 1.640 6 residues pruned to eliminate duplicates Z: 10 13.110 1.811 0.790 0.474 1.000 0.778 CA 1.384 10 residues pruned to eliminate duplicates Z: 19 24.301 2.014 0.848 0.906 0.944 0.500 CA 1.159 19 residues pruned to eliminate duplicates Z: 25 17.694 1.991 0.317 0.537 0.917 0.750 CB 1.450 25 residues pruned to eliminate duplicates Z: 27 15.391 2.165 0.312 0.377 0.808 0.615 CB 1.500 27 residues pruned to eliminate duplicates Z: 11 4.340 1.567 0.372 0.226 0.800 0.400 O 1.099 11 residues pruned to eliminate duplicates Z: 22 38.702 2.202 0.899 0.866 1.000 0.619 CA 1.479 22 residues pruned to eliminate duplicates Z: 11 7.966 1.974 0.041 0.385 0.900 0.300 CA 1.539 11 residues pruned to eliminate duplicates Z: 6 7.845 1.720 0.399 0.508 1.000 0.400 C 1.446 6 residues pruned to eliminate duplicates Z: 22 30.844 2.066 0.523 0.874 1.000 0.333 CA 1.556 22 residues pruned to eliminate duplicates Z: 7 2.924 1.389 0.105 0.407 0.833 0.667 CB 1.030 7 1.813 1.431 0.180 0.416 0.833 0.667 CB 0.574 ? Z: 12 5.216 1.706 0.276 0.300 0.727 0.545 N 1.241 12 residues pruned to eliminate duplicates Z: 8 3.328 1.750 -0.154 0.348 0.857 0.571 CB 1.169 8 residues pruned to eliminate duplicates Z: 38 36.902 2.249 0.547 0.636 0.946 0.622 CA 1.623 31 residues pruned to eliminate duplicates Z: 10 11.007 2.140 0.342 0.780 0.778 0.556 CA 1.283 10 residues pruned to eliminate duplicates Z: 28 19.434 2.202 0.443 0.383 0.889 0.593 CA 1.499 28 residues pruned to eliminate duplicates Z: 14 7.111 1.843 0.187 0.432 0.846 0.538 CB 1.143 14 residues pruned to eliminate duplicates Z: 6 7.906 1.685 1.225 0.592 0.800 0.600 CA 1.080 Z: 22 31.727 2.000 0.721 0.903 1.000 0.714 CA 1.433 22 residues pruned to eliminate duplicates Z: 31 23.489 2.032 0.455 0.626 0.867 0.800 CA 1.486 31 residues pruned to eliminate duplicates Z: 12 8.605 1.832 0.615 0.331 0.818 0.364 CB 1.289 10 residues pruned to eliminate duplicates Z: 10 13.835 1.915 0.526 0.819 0.889 0.556 CA 1.347 10 residues pruned to eliminate duplicates Z: 6 4.954 1.739 0.595 0.400 0.800 0.400 CB 1.110 Z: 7 8.938 1.779 0.958 0.664 0.833 0.833 CB 1.080 7 residues pruned to eliminate duplicates Z: 6 7.373 1.661 0.508 0.602 1.000 0.800 CB 1.195 6 residues pruned to eliminate duplicates Z: 18 20.565 1.952 0.405 0.866 0.941 0.765 CA 1.414 18 residues pruned to eliminate duplicates Z: 10 14.584 1.914 0.522 0.862 0.889 0.444 CA 1.378 10 residues pruned to eliminate duplicates Z: 7 4.596 1.766 0.190 0.601 0.667 0.500 CB 1.216 7 residues pruned to eliminate duplicates Z: 20 10.095 1.854 0.582 0.436 0.737 0.474 CB 1.144 10 residues pruned to eliminate duplicates Z: 6 5.663 1.453 1.137 0.345 0.800 0.600 C 1.206 6 residues pruned to eliminate duplicates Z: 15 13.018 1.892 0.327 0.484 0.929 0.643 C 1.516 13 residues pruned to eliminate duplicates Z: 18 8.163 1.974 0.187 0.278 0.765 0.529 CB 1.420 18 residues pruned to eliminate duplicates 6 1.453 1.495 -0.136 0.298 0.600 0.600 C 1.052 ? Z: 10 15.444 2.095 0.318 0.768 1.000 0.889 CA 1.471 10 residues pruned to eliminate duplicates Z: 9 9.350 1.978 0.369 0.660 0.875 0.500 CB 1.202 9 residues pruned to eliminate duplicates Z: 12 16.376 2.088 0.694 0.812 1.000 0.273 CB 1.064 12 residues pruned to eliminate duplicates Z: 22 21.197 2.016 0.287 0.861 0.905 0.667 CA 1.447 22 residues pruned to eliminate duplicates Z: 6 9.103 1.778 0.518 0.838 1.000 0.600 CB 1.128 6 residues pruned to eliminate duplicates Z: 29 20.343 1.910 0.383 0.529 0.929 0.679 CB 1.524 29 residues pruned to eliminate duplicates 6 1.419 1.271 0.525 0.364 0.600 0.400 CB 0.632 ? Z: 8 3.462 1.640 -0.080 0.446 0.857 0.286 CB 1.070 Z: 8 6.229 1.640 0.343 0.464 0.857 0.571 CA 1.294 7 residues pruned to eliminate duplicates Z: 19 9.818 1.975 0.423 0.339 0.722 0.556 CB 1.359 19 residues pruned to eliminate duplicates Z: 12 15.709 2.106 0.420 0.685 0.818 0.727 CB 1.633 12 residues pruned to eliminate duplicates Z: 6 5.078 1.706 0.778 0.721 0.800 0.800 CB 0.767 Z: 11 14.752 1.932 0.449 0.907 1.000 0.800 CA 1.185 11 residues pruned to eliminate duplicates Z: 9 9.448 1.580 0.312 0.746 1.000 0.625 CA 1.293 9 residues pruned to eliminate duplicates Z: 10 12.838 1.822 0.437 0.853 0.889 0.667 CB 1.359 10 residues pruned to eliminate duplicates Z: 6 5.812 1.759 0.747 0.483 1.000 0.800 CB 0.861 Z: 12 13.360 2.198 0.341 0.602 0.909 0.818 CA 1.364 12 residues pruned to eliminate duplicates Z: 20 19.933 1.965 0.683 0.888 0.789 0.579 CA 1.262 20 residues pruned to eliminate duplicates Z: 11 6.346 1.721 0.530 0.432 0.600 0.600 CA 1.363 11 residues pruned to eliminate duplicates Z: 11 10.126 2.208 -0.101 0.849 0.900 0.700 CB 1.328 11 residues pruned to eliminate duplicates Z: 13 16.683 1.949 0.489 0.806 1.000 0.750 CA 1.271 13 residues pruned to eliminate duplicates Z: 22 23.366 1.935 0.385 0.847 0.952 0.762 CA 1.483 22 residues pruned to eliminate duplicates Z: 11 7.022 1.856 0.190 0.471 0.800 0.700 N 1.294 11 residues pruned to eliminate duplicates Z: 11 8.504 2.015 0.177 0.540 1.000 0.700 CB 1.091 11 residues pruned to eliminate duplicates Z: 18 9.814 2.034 0.236 0.329 0.765 0.529 CB 1.494 18 residues pruned to eliminate duplicates Z: 15 7.516 1.792 0.431 0.355 0.643 0.571 CA 1.426 15 residues pruned to eliminate duplicates Z: 14 12.814 2.096 0.429 0.436 0.923 0.615 CB 1.375 14 residues pruned to eliminate duplicates Z: 7 5.197 1.775 0.194 0.825 0.667 0.667 CA 1.134 7 residues pruned to eliminate duplicates Z: 9 11.032 2.100 -0.021 0.791 1.000 0.750 CB 1.469 9 residues pruned to eliminate duplicates Z: 25 16.889 1.957 0.395 0.422 0.958 0.542 CB 1.429 25 residues pruned to eliminate duplicates Z: 18 15.691 1.914 0.615 0.788 0.941 0.765 CA 1.015 18 residues pruned to eliminate duplicates Z: 6 5.725 1.757 0.511 0.751 1.000 0.800 N 0.771 Z: 13 16.809 2.018 0.559 0.778 0.917 0.750 CA 1.316 13 residues pruned to eliminate duplicates Z: 16 12.176 1.909 0.313 0.526 0.933 0.600 CB 1.311 16 residues pruned to eliminate duplicates Z: 13 14.186 2.077 0.171 0.691 1.000 0.917 CB 1.414 13 residues pruned to eliminate duplicates Z: 20 26.651 2.172 0.476 0.845 0.947 0.526 CB 1.497 20 residues pruned to eliminate duplicates Z: 6 3.761 1.762 0.379 0.310 0.800 0.400 CB 1.068 Z: 8 6.067 1.639 0.494 0.407 0.714 0.714 O 1.445 Z: 8 3.159 1.401 0.452 0.213 0.714 0.571 N 1.152 Z: 9 6.887 1.779 0.297 0.383 0.875 0.375 N 1.366 9 residues pruned to eliminate duplicates Z: 15 17.977 2.011 0.783 0.848 0.786 0.214 CA 1.264 15 residues pruned to eliminate duplicates Z: 8 6.914 1.789 0.490 0.416 0.857 0.286 CB 1.248 8 residues pruned to eliminate duplicates Z: 8 5.620 2.009 0.412 0.548 0.571 0.429 CA 1.251 8 residues pruned to eliminate duplicates Z: 11 11.061 2.065 0.464 0.816 0.800 0.700 CB 1.099 11 residues pruned to eliminate duplicates Z: 14 9.069 2.036 0.245 0.384 0.769 0.385 CA 1.459 14 residues pruned to eliminate duplicates Z: 7 3.207 1.611 0.483 0.392 0.667 0.667 N 0.922 Z: 18 10.781 1.938 0.289 0.361 0.882 0.353 CA 1.377 18 residues pruned to eliminate duplicates Z: 20 11.611 1.966 0.514 0.309 0.737 0.421 CA 1.501 20 residues pruned to eliminate duplicates Z: 7 3.307 1.947 0.461 0.386 0.667 0.333 CB 0.803 7 residues pruned to eliminate duplicates Z: 23 30.517 2.089 0.867 0.866 0.955 0.409 CB 1.279 23 residues pruned to eliminate duplicates Z: 11 8.868 1.997 0.524 0.473 0.700 0.300 CA 1.354 8 residues pruned to eliminate duplicates Z: 25 12.713 2.076 0.291 0.392 0.750 0.458 CB 1.447 27 residues pruned to eliminate duplicates Z: 7 2.190 1.392 0.386 0.313 0.833 0.500 C 0.684 Z: 9 12.001 1.965 0.254 0.802 1.000 1.000 CB 1.323 9 residues pruned to eliminate duplicates Z: 19 21.508 1.962 0.356 0.890 0.944 0.833 CA 1.452 19 residues pruned to eliminate duplicates Z: 11 7.033 1.713 0.791 0.317 0.800 0.500 CB 1.110 10 residues pruned to eliminate duplicates Z: 13 10.272 1.933 0.413 0.501 0.917 0.417 CA 1.184 13 residues pruned to eliminate duplicates Z: 39 25.832 2.021 0.448 0.585 0.921 0.658 CA 1.433 34 residues pruned to eliminate duplicates Z: 13 14.537 1.814 0.700 0.816 0.750 0.417 CA 1.379 13 residues pruned to eliminate duplicates Z: 9 6.888 1.808 0.892 0.197 0.875 0.750 CA 1.168 9 residues pruned to eliminate duplicates Z: 34 21.284 2.172 0.451 0.347 0.879 0.576 CA 1.580 34 residues pruned to eliminate duplicates Z: 8 14.762 2.077 0.656 0.664 1.000 0.714 CA 1.394 9 residues pruned to eliminate duplicates Z: 15 7.185 1.827 0.259 0.444 0.714 0.643 CB 1.239 15 residues pruned to eliminate duplicates Z: 17 32.776 2.252 0.940 0.897 0.938 0.625 CB 1.433 17 residues pruned to eliminate duplicates Z: 50 24.958 2.178 0.422 0.322 0.918 0.531 CA 1.525 50 residues pruned to eliminate duplicates Z: 18 16.739 2.033 0.364 0.539 1.000 0.765 CA 1.409 18 residues pruned to eliminate duplicates Z: 16 28.433 2.024 0.842 0.809 1.000 0.467 CB 1.504 16 residues pruned to eliminate duplicates Z: 6 3.835 1.700 0.421 0.465 0.600 0.400 CA 1.227 6 residues pruned to eliminate duplicates Z: 12 10.140 1.912 0.322 0.418 0.909 0.636 CA 1.449 12 residues pruned to eliminate duplicates Z: 9 11.900 1.935 0.505 0.888 0.875 0.375 CA 1.190 9 residues pruned to eliminate duplicates Z: 16 16.927 1.971 0.431 0.600 0.933 0.867 CB 1.509 18 residues pruned to eliminate duplicates Z: 7 6.215 1.991 0.358 0.533 0.833 0.833 CB 1.090 7 residues pruned to eliminate duplicates Z: 10 5.792 1.638 0.767 0.310 0.667 0.556 CA 1.235 Z: 8 8.871 1.824 0.094 0.739 1.000 0.714 CA 1.356 8 residues pruned to eliminate duplicates Z: 9 8.904 1.955 0.348 0.642 0.875 0.750 CA 1.196 9 residues pruned to eliminate duplicates Z: 11 11.520 2.203 0.426 0.427 1.000 0.600 CB 1.251 11 residues pruned to eliminate duplicates Z: 10 10.363 1.936 0.482 0.579 1.000 0.333 CB 1.117 10 residues pruned to eliminate duplicates Z: 12 17.212 2.048 0.409 0.680 0.909 0.636 CB 1.676 12 residues pruned to eliminate duplicates Z: 7 12.312 2.003 0.602 0.621 1.000 0.833 CA 1.397 7 residues pruned to eliminate duplicates Z: 10 4.140 1.426 0.313 0.538 0.667 0.444 O 1.064 Z: 40 26.747 2.156 0.503 0.529 0.897 0.538 CB 1.431 46 residues pruned to eliminate duplicates Z: 6 2.973 1.705 0.118 0.235 0.800 0.400 CA 1.186 Z: 6 2.497 1.629 0.883 0.725 0.600 0.600 CB 0.495 Z: 10 6.413 1.982 0.173 0.490 0.889 0.556 CB 1.045 Z: 12 12.024 1.844 0.353 0.561 1.000 0.727 CB 1.369 11 residues pruned to eliminate duplicates Z: 8 3.369 1.623 0.514 0.228 0.571 0.286 N 1.246 8 residues pruned to eliminate duplicates Z: 11 6.031 1.682 0.672 0.403 0.800 0.500 CB 0.939 10 residues pruned to eliminate duplicates Z: 8 3.969 1.611 0.589 0.445 0.857 0.714 CB 0.723 Z: 9 3.335 1.562 0.539 0.331 0.625 0.375 CB 0.944 Z: 6 5.451 1.809 0.431 0.307 1.000 0.600 N 1.168 Z: 12 11.968 1.695 0.518 0.771 0.909 0.636 CA 1.214 12 residues pruned to eliminate duplicates Z: 12 10.398 1.961 0.081 0.861 0.909 0.545 CA 1.195 12 residues pruned to eliminate duplicates Z: 12 7.685 1.753 0.414 0.417 1.000 0.636 CB 1.019 8 residues pruned to eliminate duplicates Z: 18 6.857 1.690 0.704 0.266 0.706 0.471 CB 1.068 18 residues pruned to eliminate duplicates Z: 7 5.403 1.618 0.624 0.553 1.000 0.667 CB 0.797 6 residues pruned to eliminate duplicates Z: 10 5.165 1.896 -0.181 0.445 0.889 0.444 N 1.319 10 residues pruned to eliminate duplicates Z: 7 2.157 1.436 0.315 0.257 0.667 0.333 CA 0.924 Z: 7 5.527 1.934 -0.356 0.805 1.000 0.833 CB 1.389 7 residues pruned to eliminate duplicates Z: 23 15.350 1.952 0.510 0.394 0.864 0.500 CB 1.438 23 residues pruned to eliminate duplicates Z: 23 21.498 2.224 0.501 0.388 0.955 0.455 CB 1.620 23 residues pruned to eliminate duplicates Z: 8 7.830 1.660 1.162 0.461 0.857 0.429 CA 1.001 8 residues pruned to eliminate duplicates Z: 7 4.223 2.032 0.023 0.219 0.667 0.500 C 1.731 Z: 6 6.755 1.729 0.337 0.694 0.800 0.600 CB 1.368 6 residues pruned to eliminate duplicates Z: 8 2.671 1.561 0.522 0.266 0.571 0.429 CB 0.970 6 residues pruned to eliminate duplicates Z: 7 7.709 1.911 0.706 0.448 0.833 0.500 CA 1.222 7 residues pruned to eliminate duplicates Z: 6 2.326 1.292 -0.109 0.491 1.000 0.400 CA 0.911 Z: 22 29.196 2.049 0.565 0.867 0.952 0.571 CA 1.525 22 residues pruned to eliminate duplicates Z: 6 5.711 1.720 0.671 0.432 0.800 0.400 N 1.192 6 residues pruned to eliminate duplicates Z: 31 20.618 1.819 0.588 0.595 0.833 0.467 CA 1.428 30 residues pruned to eliminate duplicates Z: 8 3.349 1.584 0.120 0.487 0.857 0.714 CB 0.843 Z: 6 3.030 1.401 0.364 0.396 0.800 0.600 C 0.989 Z: 12 3.730 1.635 0.152 0.248 0.727 0.273 N 1.097 Z: 12 6.734 1.639 -0.077 0.569 0.909 0.636 CA 1.381 12 residues pruned to eliminate duplicates Z: 16 24.869 2.244 0.480 0.852 1.000 0.667 CB 1.430 16 residues pruned to eliminate duplicates Z: 6 7.804 1.576 0.964 0.481 1.000 0.600 CB 1.150 5 residues pruned to eliminate duplicates Z: 22 36.364 2.178 0.761 0.819 0.952 0.524 CB 1.647 22 residues pruned to eliminate duplicates Z: 26 13.443 2.004 0.309 0.322 0.840 0.560 CB 1.485 26 residues pruned to eliminate duplicates Z: 22 8.766 1.890 0.157 0.263 0.810 0.333 CB 1.417 22 residues pruned to eliminate duplicates Z: 9 14.163 2.029 0.258 0.864 1.000 0.500 CA 1.439 9 residues pruned to eliminate duplicates Z: 17 9.994 1.886 0.368 0.273 0.875 0.438 CB 1.432 17 residues pruned to eliminate duplicates Z: 6 8.021 1.953 0.451 0.629 0.800 0.800 CA 1.402 6 residues pruned to eliminate duplicates Z: 25 22.272 2.269 0.309 0.530 1.000 0.500 CB 1.486 25 residues pruned to eliminate duplicates Z: 10 12.737 1.842 0.626 0.849 1.000 0.778 CA 1.051 10 residues pruned to eliminate duplicates Z: 6 6.391 1.425 0.435 0.819 1.000 1.000 N 1.060 5 residues pruned to eliminate duplicates Z: 9 6.909 1.905 0.114 0.581 0.875 0.625 CB 1.216 9 residues pruned to eliminate duplicates Z: 22 18.216 1.858 0.453 0.882 0.905 0.476 CA 1.178 22 residues pruned to eliminate duplicates Z: 9 3.210 1.204 0.784 0.249 0.750 0.250 CA 0.940 Z: 8 2.660 1.290 0.600 0.289 0.714 0.429 CB 0.864 Z: 19 11.353 1.786 0.342 0.424 0.944 0.556 CB 1.280 19 residues pruned to eliminate duplicates Z: 19 26.597 2.170 0.733 0.884 0.833 0.389 CA 1.446 19 residues pruned to eliminate duplicates Z: 9 10.739 1.933 0.468 0.519 0.875 0.625 CA 1.501 9 residues pruned to eliminate duplicates Z: 12 14.397 2.026 0.684 0.430 0.909 0.727 CA 1.505 12 residues pruned to eliminate duplicates Z: 15 13.133 1.841 0.541 0.809 0.929 0.714 CA 1.017 15 residues pruned to eliminate duplicates Z: 51 34.439 2.183 0.543 0.523 0.900 0.400 CB 1.570 52 residues pruned to eliminate duplicates Z: 7 2.606 1.530 0.124 0.475 1.000 0.833 CB 0.634 Z: 9 8.961 1.883 0.312 0.489 0.875 0.250 CB 1.482 9 residues pruned to eliminate duplicates Z: 7 4.496 1.532 0.448 0.446 0.833 0.500 CB 1.050 6 residues pruned to eliminate duplicates Z: 14 6.171 1.373 0.527 0.461 0.846 0.385 CA 1.004 Z: 15 8.408 1.845 0.349 0.359 0.786 0.429 CB 1.337 15 residues pruned to eliminate duplicates Z: 22 22.876 1.917 0.724 0.872 0.762 0.381 CA 1.444 22 residues pruned to eliminate duplicates Z: 14 10.879 1.859 0.383 0.475 0.846 0.615 CA 1.423 14 residues pruned to eliminate duplicates Z: 9 3.649 1.584 0.423 0.283 0.750 0.625 CB 0.974 Z: 6 11.555 1.598 1.153 0.805 1.000 0.800 N 1.151 6 residues pruned to eliminate duplicates Z: 6 5.119 1.724 0.021 0.574 1.000 1.000 CB 1.211 Z: 9 3.436 1.432 0.490 0.256 0.750 0.625 O 1.004 Z: 6 6.565 1.730 0.883 0.492 0.800 0.600 CB 1.136 6 residues pruned to eliminate duplicates Z: 7 4.314 1.515 0.245 0.590 1.000 0.667 O 0.857 6 residues pruned to eliminate duplicates Z: 7 4.209 1.559 0.056 0.391 1.000 0.333 CB 1.172 Z: 11 12.197 1.855 0.488 0.668 0.900 0.800 CA 1.330 11 residues pruned to eliminate duplicates Z: 6 2.299 1.433 0.662 0.298 0.800 0.600 CB 0.677 Z: 26 7.283 1.869 0.253 0.276 0.720 0.360 CB 1.114 26 residues pruned to eliminate duplicates Z: 7 3.808 1.485 0.041 0.353 1.000 0.333 CA 1.179 Z: 6 5.333 1.402 0.681 0.450 1.000 0.600 N 1.065 Z: 24 18.832 2.101 0.815 0.289 0.826 0.391 CB 1.581 24 residues pruned to eliminate duplicates Z: 11 12.665 2.054 0.353 0.511 1.000 0.500 CB 1.425 11 residues pruned to eliminate duplicates Z: 26 18.472 2.295 0.456 0.308 0.840 0.400 CA 1.629 26 residues pruned to eliminate duplicates Z: 22 26.380 2.053 0.683 0.830 0.857 0.429 CA 1.461 22 residues pruned to eliminate duplicates Z: 10 9.496 1.805 0.244 0.530 0.889 0.778 N 1.540 Z: 50 33.827 2.052 0.534 0.667 0.980 0.531 CA 1.343 50 residues pruned to eliminate duplicates Z: 6 5.152 1.721 0.451 0.500 0.800 0.600 CA 1.153 6 residues pruned to eliminate duplicates Z: 7 8.368 1.640 0.321 0.758 1.000 0.667 O 1.254 Z: 20 12.213 1.946 0.409 0.466 0.895 0.632 CA 1.183 20 residues pruned to eliminate duplicates Z: 6 5.369 1.765 0.203 0.655 0.800 0.800 CA 1.223 Z: 8 2.594 1.519 0.568 0.274 0.571 0.286 N 0.931 Z: 16 13.584 2.129 0.335 0.404 0.933 0.800 CA 1.462 16 residues pruned to eliminate duplicates Z: 11 8.623 2.181 0.336 0.372 0.800 0.500 CB 1.342 11 residues pruned to eliminate duplicates Z: 16 5.414 1.536 0.243 0.388 0.867 0.400 CB 0.952 Z: 20 42.957 2.355 0.689 0.919 1.000 0.579 CB 1.746 20 residues pruned to eliminate duplicates Z: 7 2.620 1.402 0.299 0.457 0.667 0.500 CB 0.921 Z: 30 27.478 1.899 0.717 0.656 0.931 0.621 CA 1.454 30 residues pruned to eliminate duplicates Z: 10 16.610 2.038 0.550 0.767 1.000 0.889 CA 1.384 10 residues pruned to eliminate duplicates Z: 20 12.072 1.945 0.339 0.499 0.842 0.579 CB 1.265 20 residues pruned to eliminate duplicates Z: 46 30.182 1.968 0.539 0.580 0.956 0.600 CA 1.439 46 residues pruned to eliminate duplicates Z: 11 5.727 1.731 0.135 0.408 0.800 0.400 CA 1.269 11 residues pruned to eliminate duplicates Z: 6 4.326 1.734 0.292 0.444 1.000 0.800 CB 0.915 6 residues pruned to eliminate duplicates Z: 10 8.870 1.907 0.193 0.509 1.000 0.556 CA 1.288 10 residues pruned to eliminate duplicates Z: 9 2.549 1.555 0.415 0.407 0.625 0.500 CB 0.722 Z: 8 7.494 1.965 0.226 0.325 0.857 0.571 O 1.661 8 residues pruned to eliminate duplicates Z: 11 6.302 1.995 0.142 0.386 0.800 0.400 CB 1.235 11 residues pruned to eliminate duplicates Z: 21 25.503 1.965 0.577 0.825 0.900 0.350 CB 1.543 21 residues pruned to eliminate duplicates Z: 18 32.886 2.224 0.757 0.829 0.882 0.647 CB 1.741 18 residues pruned to eliminate duplicates Z: 8 2.677 1.758 -0.188 0.298 0.571 0.286 N 1.554 8 residues pruned to eliminate duplicates Z: 6 6.667 1.928 0.269 0.487 1.000 1.000 CB 1.235 6 residues pruned to eliminate duplicates Z: 35 21.174 2.061 0.416 0.470 0.971 0.588 CB 1.322 41 residues pruned to eliminate duplicates Z: 60 19.607 2.023 0.340 0.297 0.797 0.492 CA 1.483 60 residues pruned to eliminate duplicates Z: 9 2.750 1.729 0.288 0.314 0.625 0.375 CB 0.858 Z: 20 15.752 1.910 0.424 0.446 1.000 0.789 CA 1.404 20 residues pruned to eliminate duplicates Z: 8 2.423 1.720 0.279 0.298 0.571 0.429 CB 0.912 8 residues pruned to eliminate duplicates Z: 25 22.341 2.037 0.621 0.684 0.917 0.750 CA 1.273 25 residues pruned to eliminate duplicates 6 1.377 1.149 0.189 0.270 0.600 0.600 N 0.975 ? Z: 7 2.614 1.248 0.131 0.357 0.833 0.500 N 1.058 Z: 6 2.878 1.547 0.211 0.390 0.800 0.600 CB 0.965 Z: 17 8.423 1.776 0.253 0.339 0.938 0.750 CA 1.203 17 residues pruned to eliminate duplicates Z: 9 6.159 1.969 0.116 0.451 0.750 0.625 CA 1.389 9 residues pruned to eliminate duplicates Z: 17 11.421 1.974 0.328 0.414 0.938 0.500 CB 1.271 17 residues pruned to eliminate duplicates Z: 6 3.879 1.783 0.092 0.407 0.800 0.200 CB 1.228 Z: 17 7.727 1.786 0.336 0.329 0.750 0.438 CB 1.301 17 residues pruned to eliminate duplicates Z: 7 5.307 1.730 0.537 0.370 0.833 0.667 CB 1.123 7 residues pruned to eliminate duplicates Z: 12 11.041 2.016 0.412 0.776 0.909 0.636 CA 1.008 12 residues pruned to eliminate duplicates Z: 9 9.507 1.822 0.603 0.622 0.875 0.750 CA 1.172 9 residues pruned to eliminate duplicates Z: 9 3.983 1.553 0.126 0.297 0.875 0.625 O 1.155 9 residues pruned to eliminate duplicates Z: 26 18.552 1.919 0.188 0.639 0.960 0.800 CA 1.488 26 residues pruned to eliminate duplicates Z: 6 2.281 1.500 0.304 0.386 0.600 0.600 CB 0.981 Z: 6 2.382 1.266 0.707 0.291 0.800 0.600 CA 0.778 Z: 13 13.265 1.804 0.571 0.462 0.917 0.583 CA 1.533 15 residues pruned to eliminate duplicates Z: 8 3.767 1.538 0.278 0.361 0.857 0.429 CB 0.981 Z: 9 6.018 1.680 0.518 0.402 0.750 0.750 CA 1.233 9 residues pruned to eliminate duplicates Z: 12 4.879 1.580 0.460 0.363 0.727 0.455 CA 1.016 12 residues pruned to eliminate duplicates Z: 15 5.229 1.719 0.162 0.383 0.643 0.643 CA 1.233 14 residues pruned to eliminate duplicates Z: 15 10.803 1.860 0.284 0.362 1.000 0.500 CA 1.402 15 residues pruned to eliminate duplicates Z: 11 12.789 2.105 0.470 0.464 0.900 0.600 CA 1.506 11 residues pruned to eliminate duplicates Z: 8 3.937 1.631 0.156 0.325 0.857 0.429 CA 1.115 8 residues pruned to eliminate duplicates Z: 8 13.337 2.072 0.219 0.757 1.000 0.714 CA 1.588 8 residues pruned to eliminate duplicates Z: 34 24.419 2.060 0.458 0.597 0.879 0.667 CB 1.468 34 residues pruned to eliminate duplicates Z: 9 3.200 1.198 -0.040 0.631 1.000 0.625 CB 0.870 Z: 15 10.921 2.117 0.293 0.378 0.786 0.357 CA 1.546 15 residues pruned to eliminate duplicates Z: 8 3.359 1.429 0.682 0.220 0.714 0.286 CA 1.028 Z: 7 2.313 1.240 0.348 0.371 0.667 0.500 CA 0.973 Z: 10 12.560 1.876 0.386 0.707 1.000 0.778 CA 1.334 10 residues pruned to eliminate duplicates Z: 22 29.352 2.019 0.522 0.895 0.952 0.857 CA 1.569 22 residues pruned to eliminate duplicates Z: 51 34.018 2.188 0.503 0.525 0.900 0.520 CB 1.585 51 residues pruned to eliminate duplicates Z: 10 4.018 1.855 0.110 0.463 0.667 0.556 CA 1.012 Z: 6 3.720 1.259 0.328 0.620 1.000 0.800 CA 0.888 6 residues pruned to eliminate duplicates Z: 19 6.464 1.699 0.199 0.270 0.722 0.389 CB 1.344 Z: 29 19.417 2.129 0.487 0.335 0.857 0.536 CA 1.620 28 residues pruned to eliminate duplicates Z: 6 2.168 1.602 0.242 0.295 0.600 0.600 O 1.021 5 residues pruned to eliminate duplicates Z: 7 5.294 1.523 0.333 0.688 1.000 0.833 CB 0.896 Z: 14 16.342 1.880 0.669 0.831 1.000 0.692 CA 1.086 14 residues pruned to eliminate duplicates Z: 33 34.496 2.235 0.522 0.667 1.000 0.531 CA 1.537 33 residues pruned to eliminate duplicates Z: 21 15.120 1.767 0.556 0.616 0.800 0.250 CA 1.377 20 residues pruned to eliminate duplicates Z: 8 2.562 1.547 0.449 0.306 0.571 0.286 CB 0.938 Z: 21 10.112 1.903 0.354 0.325 0.800 0.400 CB 1.330 21 residues pruned to eliminate duplicates 6 0.808 1.471 0.609 0.290 0.600 0.400 CB 0.322 ? Z: 21 26.811 2.099 0.407 0.879 0.900 0.450 CA 1.636 21 residues pruned to eliminate duplicates 6 1.790 1.552 0.066 0.373 0.600 0.400 CB 0.924 ? 6 1.905 1.176 0.328 0.442 0.800 0.600 N 0.724 ? Z: 46 22.225 1.853 0.584 0.599 0.867 0.556 CA 1.186 46 residues pruned to eliminate duplicates 6 1.902 1.814 -0.012 0.100 0.800 0.600 CB 0.989 ? Z: 31 11.761 1.807 0.292 0.329 0.800 0.300 N 1.386 31 residues pruned to eliminate duplicates Z: 9 2.678 1.544 -0.088 0.432 0.875 0.750 CB 0.825 Z: 14 9.355 1.754 0.346 0.437 0.923 0.615 CB 1.271 14 residues pruned to eliminate duplicates Z: 18 32.083 2.159 0.532 0.923 1.000 0.765 CA 1.653 18 residues pruned to eliminate duplicates Z: 11 3.193 1.421 0.638 0.294 0.600 0.300 CB 0.911 Z: 45 30.460 1.956 0.542 0.614 0.955 0.682 CA 1.431 56 residues pruned to eliminate duplicates Z: 7 2.208 1.314 0.405 0.484 0.833 0.667 N 0.595 Z: 10 15.806 1.832 0.770 0.903 1.000 0.889 CA 1.158 13 residues pruned to eliminate duplicates Z: 27 11.424 1.875 0.205 0.354 0.846 0.346 CB 1.373 27 residues pruned to eliminate duplicates Z: 7 8.620 1.863 0.339 0.771 1.000 0.833 CB 1.110 7 residues pruned to eliminate duplicates 6 1.560 1.374 0.040 0.292 0.600 0.400 CB 1.027 ? Z: 6 4.662 1.334 0.479 0.694 1.000 0.800 N 0.885 6 residues pruned to eliminate duplicates Z: 8 3.017 1.432 0.037 0.294 0.857 0.429 C 1.127 Z: 13 4.566 1.756 0.256 0.335 0.583 0.333 CB 1.227 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 4.204 1.554 0.472 0.298 0.800 0.400 C 1.287 6 residues pruned to eliminate duplicates Z: 6 11.229 2.008 0.373 0.591 1.000 0.800 CA 1.670 6 residues pruned to eliminate duplicates Z: 6 11.802 2.009 0.789 0.642 0.800 0.800 CA 1.608 6 residues pruned to eliminate duplicates Z: 7 9.279 1.943 0.730 0.644 0.833 0.667 CB 1.182 6 residues pruned to eliminate duplicates Z: 6 7.112 1.983 0.512 0.483 1.000 0.400 CB 1.079 6 residues pruned to eliminate duplicates Z: 6 6.587 1.790 0.639 0.476 1.000 0.400 CB 1.029 6 residues pruned to eliminate duplicates Z: 7 9.802 1.785 0.131 0.782 1.000 0.500 CA 1.546 7 residues pruned to eliminate duplicates Z: 6 3.870 1.905 0.437 0.278 0.600 0.400 CA 1.354 6 residues pruned to eliminate duplicates Z: 14 10.233 1.865 0.277 0.468 0.923 0.308 CA 1.333 Z: 6 6.415 1.927 0.272 0.715 1.000 0.800 CA 0.963 7 residues pruned to eliminate duplicates Z: 6 5.252 1.863 0.113 0.723 1.000 0.600 CA 0.926 6 residues pruned to eliminate duplicates Z: 13 11.159 1.930 0.429 0.490 0.917 0.583 CA 1.287 14 residues pruned to eliminate duplicates Z: 15 11.944 1.837 0.325 0.470 1.000 0.643 CA 1.353 45 residues pruned to eliminate duplicates Z: 6 3.537 1.441 0.800 0.345 0.800 0.600 CA 0.902 Z: 6 4.062 1.615 0.885 0.274 0.800 0.600 N 0.964 6 residues pruned to eliminate duplicates Z: 14 9.876 1.958 0.597 0.407 0.692 0.615 CB 1.395 14 residues pruned to eliminate duplicates Z: 19 11.300 1.937 0.455 0.335 0.722 0.278 CA 1.566 16 residues pruned to eliminate duplicates Z: 6 2.313 1.627 0.001 0.283 0.800 0.600 N 1.013 6 residues pruned to eliminate duplicates Z: 20 14.719 2.019 0.316 0.490 0.895 0.684 CA 1.435 20 residues pruned to eliminate duplicates Z: 21 13.762 1.935 0.361 0.468 0.850 0.650 CB 1.420 21 residues pruned to eliminate duplicates Z: 10 13.241 2.065 0.485 0.526 0.889 0.556 CA 1.577 11 residues pruned to eliminate duplicates Z: 7 4.036 1.478 0.525 0.443 0.667 0.333 N 1.163 7 residues pruned to eliminate duplicates Z: 18 20.844 2.097 0.478 0.592 1.000 0.706 CA 1.494 18 residues pruned to eliminate duplicates Z: 6 6.900 1.699 0.720 0.341 1.000 0.800 CA 1.256 6 residues pruned to eliminate duplicates Z: 18 18.096 2.070 0.396 0.582 0.941 0.765 CA 1.492 18 residues pruned to eliminate duplicates Z: 7 3.024 1.586 0.338 0.388 0.833 0.333 N 0.787 7 residues pruned to eliminate duplicates Z: 7 6.971 1.559 0.562 0.538 0.833 0.667 CA 1.351 7 residues pruned to eliminate duplicates Z: 12 15.358 2.086 0.372 0.522 0.909 0.727 CA 1.742 12 residues pruned to eliminate duplicates Z: 15 11.892 1.922 0.335 0.433 0.857 0.500 C 1.550 15 residues pruned to eliminate duplicates Z: 9 6.319 1.815 0.492 0.199 0.750 0.000 N 1.574 5 residues pruned to eliminate duplicates Z: 8 4.677 1.571 0.242 0.469 0.857 0.571 O 1.090 8 residues pruned to eliminate duplicates Z: 13 7.526 1.935 0.425 0.289 0.833 0.333 CB 1.199 10 residues pruned to eliminate duplicates Z: 7 2.090 1.526 -0.002 0.305 0.667 0.167 N 1.044 7 residues pruned to eliminate duplicates Z: 11 4.737 1.960 0.232 0.270 0.600 0.200 CB 1.344 11 residues pruned to eliminate duplicates Z: 15 5.706 1.778 0.247 0.353 0.714 0.429 CB 1.128 15 residues pruned to eliminate duplicates Z: 13 6.295 1.863 0.161 0.383 0.833 0.250 CB 1.141 13 residues pruned to eliminate duplicates Z: 15 5.624 1.830 0.003 0.337 0.786 0.357 CB 1.246 13 residues pruned to eliminate duplicates Z: 11 4.911 1.678 0.235 0.618 0.700 0.300 CB 0.958 6 residues pruned to eliminate duplicates Z: 11 7.392 1.596 0.577 0.449 0.800 0.200 CB 1.223 12 residues pruned to eliminate duplicates Z: 8 6.384 1.695 0.296 0.707 0.857 0.286 CB 1.062 8 residues pruned to eliminate duplicates Z: 18 8.943 1.686 0.424 0.491 1.000 0.529 CB 0.912 14 residues pruned to eliminate duplicates Z: 9 4.832 1.636 0.374 0.705 0.875 0.125 CB 0.721 9 residues pruned to eliminate duplicates Z: 7 4.471 1.589 0.199 0.488 1.000 0.500 N 0.970 7 residues pruned to eliminate duplicates Z: 7 4.801 1.637 0.263 0.464 1.000 0.667 CB 0.984 7 residues pruned to eliminate duplicates Z: 13 3.600 1.377 0.264 0.308 0.750 0.333 N 0.984 13 residues pruned to eliminate duplicates Z: 6 3.523 1.644 0.305 0.209 1.000 0.200 CB 1.036 6 residues pruned to eliminate duplicates Z: 10 6.322 1.728 0.739 0.220 0.889 0.333 CA 1.095 10 residues pruned to eliminate duplicates Z: 8 6.986 1.798 0.418 0.436 1.000 0.714 CB 1.107 10 residues pruned to eliminate duplicates Z: 7 7.573 1.888 0.642 0.374 0.833 0.500 CA 1.369 8 residues pruned to eliminate duplicates Z: 6 7.436 1.793 0.786 0.437 0.800 0.800 CA 1.385 5 residues pruned to eliminate duplicates Z: 6 6.480 1.761 0.438 0.324 1.000 0.600 CB 1.390 6 residues pruned to eliminate duplicates Z: 27 20.721 1.958 0.568 0.672 0.962 0.769 CA 1.174 27 residues pruned to eliminate duplicates Z: 70 35.344 2.067 0.511 0.560 0.928 0.580 CA 1.386 78 residues pruned to eliminate duplicates Z: 7 3.969 1.450 0.452 0.476 0.833 0.500 CB 0.947 7 residues pruned to eliminate duplicates Z: 33 23.046 2.045 0.544 0.662 0.938 0.594 CA 1.185 33 residues pruned to eliminate duplicates Z: 34 25.176 2.015 0.541 0.696 0.909 0.727 CA 1.298 34 residues pruned to eliminate duplicates Z: 28 24.666 2.067 0.641 0.735 0.963 0.593 CA 1.176 28 residues pruned to eliminate duplicates Z: 26 26.271 2.078 0.751 0.698 0.920 0.640 CA 1.310 27 residues pruned to eliminate duplicates Z: 20 20.780 2.026 0.653 0.853 0.842 0.421 CA 1.249 20 residues pruned to eliminate duplicates Z: 29 18.425 2.011 0.459 0.647 0.893 0.357 CA 1.159 29 residues pruned to eliminate duplicates Z: 35 20.961 2.013 0.543 0.597 0.941 0.471 CA 1.120 35 residues pruned to eliminate duplicates Z: 38 26.622 2.070 0.481 0.706 0.973 0.595 CA 1.216 38 residues pruned to eliminate duplicates Z: 22 23.378 2.062 0.704 0.778 0.857 0.476 CA 1.325 22 residues pruned to eliminate duplicates Z: 12 17.197 2.096 0.837 0.797 1.000 0.273 CA 1.038 12 residues pruned to eliminate duplicates Z: 12 10.136 2.116 0.516 0.798 0.727 0.273 CA 1.009 12 residues pruned to eliminate duplicates Z: 32 18.879 1.946 0.495 0.628 0.806 0.452 CA 1.281 32 residues pruned to eliminate duplicates Z: 36 22.760 2.031 0.497 0.638 0.943 0.486 CA 1.179 36 residues pruned to eliminate duplicates Z: 32 24.770 2.025 0.756 0.660 0.871 0.419 CA 1.238 32 residues pruned to eliminate duplicates Z: 45 29.121 2.093 0.533 0.667 0.886 0.591 CA 1.323 45 residues pruned to eliminate duplicates Z: 47 27.919 2.090 0.513 0.617 0.913 0.543 CA 1.276 47 residues pruned to eliminate duplicates Z: 19 12.618 1.967 0.645 0.611 0.944 0.333 CA 0.876 19 residues pruned to eliminate duplicates Z: 50 28.029 2.021 0.352 0.608 0.959 0.449 CA 1.379 50 residues pruned to eliminate duplicates Z: 33 23.225 2.005 0.638 0.593 0.969 0.531 CA 1.181 33 residues pruned to eliminate duplicates Z: 22 21.107 2.061 0.619 0.733 0.905 0.333 CA 1.237 22 residues pruned to eliminate duplicates Z: 52 32.319 2.013 0.546 0.667 0.941 0.549 CA 1.323 52 residues pruned to eliminate duplicates Z: 34 24.196 2.043 0.697 0.658 0.970 0.636 CA 1.082 34 residues pruned to eliminate duplicates Z: 50 29.821 2.070 0.528 0.650 0.898 0.490 CA 1.305 50 residues pruned to eliminate duplicates Z: 36 21.460 2.009 0.478 0.609 0.943 0.600 CA 1.168 36 residues pruned to eliminate duplicates Z: 46 28.227 2.101 0.523 0.630 0.867 0.511 CA 1.342 46 residues pruned to eliminate duplicates Z: 11 5.620 1.811 0.065 0.376 0.900 0.500 CA 1.169 11 residues pruned to eliminate duplicates Z: 96 41.349 1.994 0.539 0.619 0.905 0.611 CA 1.364 94 residues pruned to eliminate duplicates Z: 13 16.285 1.947 0.591 0.810 1.000 0.667 CA 1.159 13 residues pruned to eliminate duplicates Z: 13 11.268 2.046 0.148 0.641 0.917 0.500 CA 1.324 13 residues pruned to eliminate duplicates Z: 15 16.223 2.090 0.385 0.682 0.929 0.429 CB 1.364 15 residues pruned to eliminate duplicates Z: 63 32.288 2.015 0.448 0.566 0.887 0.548 CA 1.486 63 residues pruned to eliminate duplicates Z: 17 18.806 2.077 0.416 0.670 1.000 0.438 CB 1.366 17 residues pruned to eliminate duplicates Z: 16 17.585 2.061 0.384 0.686 1.000 0.533 CB 1.341 16 residues pruned to eliminate duplicates Z: 13 13.063 2.136 0.447 0.613 0.833 0.500 CA 1.316 13 residues pruned to eliminate duplicates Z: 54 30.932 2.023 0.461 0.605 0.943 0.660 CA 1.379 54 residues pruned to eliminate duplicates Z: 49 32.535 2.061 0.589 0.680 0.958 0.521 CA 1.268 49 residues pruned to eliminate duplicates Z: 19 15.178 1.957 0.599 0.576 0.833 0.444 CB 1.275 19 residues pruned to eliminate duplicates Z: 18 16.440 2.080 0.366 0.609 0.941 0.529 CB 1.345 18 residues pruned to eliminate duplicates Z: 14 8.537 1.996 0.280 0.487 0.769 0.462 CA 1.221 14 residues pruned to eliminate duplicates Z: 14 7.239 1.766 0.420 0.297 0.692 0.231 CB 1.450 14 residues pruned to eliminate duplicates Z: 56 29.808 2.040 0.582 0.587 0.873 0.418 CA 1.312 56 residues pruned to eliminate duplicates Z: 39 21.601 2.007 0.393 0.474 0.895 0.421 CB 1.439 39 residues pruned to eliminate duplicates Z: 12 8.495 1.807 0.753 0.441 0.818 0.455 CB 1.050 12 residues pruned to eliminate duplicates Z: 10 11.413 1.990 0.776 0.359 1.000 0.222 CA 1.252 10 residues pruned to eliminate duplicates Z: 10 7.171 2.017 0.554 0.304 0.667 0.222 CA 1.423 10 residues pruned to eliminate duplicates Z: 42 32.053 2.089 0.563 0.596 0.951 0.683 CA 1.470 42 residues pruned to eliminate duplicates Z: 36 30.935 2.082 0.485 0.663 0.971 0.600 CA 1.498 36 residues pruned to eliminate duplicates Z: 30 24.374 1.998 0.366 0.666 0.966 0.724 CA 1.473 30 residues pruned to eliminate duplicates Z: 34 27.214 2.060 0.440 0.665 0.939 0.606 CA 1.460 34 residues pruned to eliminate duplicates Z: 35 30.808 2.048 0.447 0.704 0.971 0.706 CA 1.525 35 residues pruned to eliminate duplicates Z: 36 26.378 2.037 0.416 0.625 0.943 0.800 CA 1.457 36 residues pruned to eliminate duplicates Z: 42 32.634 2.062 0.589 0.596 0.902 0.610 CA 1.573 46 residues pruned to eliminate duplicates Z: 6 4.844 1.792 0.422 0.381 0.800 0.600 CA 1.206 6 residues pruned to eliminate duplicates Z: 44 28.927 2.011 0.483 0.600 0.884 0.698 CA 1.521 44 residues pruned to eliminate duplicates Z: 46 29.458 1.965 0.589 0.582 0.956 0.600 CA 1.361 46 residues pruned to eliminate duplicates Z: 38 30.521 2.092 0.525 0.651 0.919 0.649 CA 1.486 38 residues pruned to eliminate duplicates Z: 32 23.515 2.055 0.491 0.596 0.871 0.645 CA 1.443 32 residues pruned to eliminate duplicates Z: 40 27.444 1.972 0.566 0.605 0.923 0.564 CA 1.395 40 residues pruned to eliminate duplicates Z: 31 26.852 2.024 0.491 0.668 0.967 0.667 CA 1.439 31 residues pruned to eliminate duplicates Z: 44 25.870 1.949 0.379 0.558 0.930 0.628 CA 1.492 44 residues pruned to eliminate duplicates Z: 28 27.413 2.080 0.535 0.658 0.926 0.556 CA 1.542 28 residues pruned to eliminate duplicates Z: 35 28.816 2.053 0.495 0.629 0.941 0.706 CA 1.515 35 residues pruned to eliminate duplicates Z: 35 25.611 1.990 0.651 0.557 0.912 0.588 CA 1.387 35 residues pruned to eliminate duplicates Z: 35 26.875 1.931 0.663 0.581 0.941 0.735 CA 1.410 35 residues pruned to eliminate duplicates Z: 44 33.535 2.007 0.636 0.641 0.930 0.605 CB 1.467 44 residues pruned to eliminate duplicates Z: 40 27.758 2.041 0.567 0.610 0.846 0.641 CA 1.480 40 residues pruned to eliminate duplicates Z: 32 29.812 2.085 0.657 0.604 0.903 0.581 CA 1.554 32 residues pruned to eliminate duplicates Z: 32 39.439 2.069 0.849 0.666 1.000 0.710 CA 1.587 32 residues pruned to eliminate duplicates Z: 43 36.222 2.058 0.762 0.621 0.881 0.548 CA 1.561 43 residues pruned to eliminate duplicates Z: 21 37.235 2.111 0.768 0.893 1.000 0.650 CA 1.601 21 residues pruned to eliminate duplicates Z: 45 39.285 2.049 0.755 0.623 0.932 0.477 CA 1.574 45 residues pruned to eliminate duplicates Z: 42 32.300 2.006 0.684 0.615 0.902 0.463 CA 1.484 42 residues pruned to eliminate duplicates Z: 39 36.946 2.046 0.757 0.650 0.895 0.553 CB 1.621 39 residues pruned to eliminate duplicates Z: 8 9.933 1.819 0.682 0.818 0.857 0.714 CA 1.086 8 residues pruned to eliminate duplicates Z: 41 28.571 2.012 0.642 0.590 0.800 0.475 CB 1.568 41 residues pruned to eliminate duplicates Z: 20 19.105 1.912 0.878 0.635 0.789 0.421 CA 1.362 20 residues pruned to eliminate duplicates Z: 18 20.134 2.014 0.613 0.642 0.824 0.294 CA 1.599 18 residues pruned to eliminate duplicates Z: 40 30.382 2.033 0.583 0.627 0.872 0.538 CA 1.538 40 residues pruned to eliminate duplicates Z: 36 22.341 1.959 0.659 0.516 0.771 0.314 CB 1.483 36 residues pruned to eliminate duplicates Z: 10 3.856 1.580 0.262 0.250 0.778 0.222 C 1.105 10 residues pruned to eliminate duplicates Z: 41 29.649 2.041 0.634 0.587 0.825 0.425 CA 1.568 41 residues pruned to eliminate duplicates Z: 10 10.337 2.009 0.571 0.356 0.889 0.333 CB 1.434 10 residues pruned to eliminate duplicates Z: 18 12.270 1.948 0.346 0.419 0.824 0.471 CB 1.500 19 residues pruned to eliminate duplicates Z: 10 10.188 1.992 0.664 0.431 0.778 0.333 CB 1.415 10 residues pruned to eliminate duplicates Z: 19 8.681 1.855 0.310 0.313 0.889 0.389 CB 1.165 19 residues pruned to eliminate duplicates Z: 9 12.087 2.069 0.733 0.410 0.875 0.375 CA 1.497 9 residues pruned to eliminate duplicates Z: 13 9.390 1.902 0.648 0.303 0.917 0.333 CB 1.175 13 residues pruned to eliminate duplicates Z: 28 22.489 2.237 0.579 0.315 0.889 0.407 CA 1.692 28 residues pruned to eliminate duplicates Z: 13 12.059 1.825 0.974 0.541 0.917 0.583 CB 1.012 13 residues pruned to eliminate duplicates Z: 27 22.029 2.238 0.495 0.349 0.923 0.423 CA 1.647 27 residues pruned to eliminate duplicates Z: 11 12.150 2.032 0.649 0.487 0.900 0.300 CB 1.291 12 residues pruned to eliminate duplicates Z: 6 3.125 1.587 0.714 0.196 0.800 0.200 CA 0.923 6 residues pruned to eliminate duplicates Z: 30 17.336 2.105 0.513 0.271 0.862 0.379 CA 1.520 39 residues pruned to eliminate duplicates Z: 6 5.359 1.637 0.916 0.335 0.800 0.400 C 1.144 6 residues pruned to eliminate duplicates Z: 28 23.826 2.242 0.608 0.346 0.926 0.444 CA 1.624 32 residues pruned to eliminate duplicates Z: 7 8.988 1.925 0.649 0.465 0.833 0.500 CA 1.438 7 residues pruned to eliminate duplicates Z: 27 24.284 2.266 0.605 0.381 0.923 0.385 CA 1.610 27 residues pruned to eliminate duplicates Z: 27 25.676 2.269 0.714 0.328 0.962 0.577 CA 1.627 27 residues pruned to eliminate duplicates Z: 23 25.041 2.278 0.722 0.393 1.000 0.591 CA 1.525 23 residues pruned to eliminate duplicates Z: 28 23.849 2.247 0.609 0.365 0.926 0.444 CA 1.585 28 residues pruned to eliminate duplicates Z: 29 19.610 2.200 0.511 0.326 0.893 0.429 CA 1.512 29 residues pruned to eliminate duplicates Z: 27 19.774 2.255 0.621 0.287 0.885 0.385 CA 1.523 27 residues pruned to eliminate duplicates Z: 30 18.257 2.111 0.426 0.349 0.897 0.483 CA 1.480 28 residues pruned to eliminate duplicates Z: 6 6.600 1.856 0.165 0.436 1.000 0.800 CA 1.458 6 residues pruned to eliminate duplicates Z: 29 25.036 2.181 0.715 0.402 0.964 0.429 CA 1.454 30 residues pruned to eliminate duplicates Z: 7 9.085 1.872 0.391 0.516 1.000 0.667 CA 1.403 7 residues pruned to eliminate duplicates Z: 10 10.398 2.002 0.498 0.368 0.889 0.667 N 1.497 10 residues pruned to eliminate duplicates Z: 26 18.941 2.291 0.539 0.242 0.840 0.440 CB 1.724 26 residues pruned to eliminate duplicates Z: 17 12.735 2.183 0.649 0.302 0.812 0.562 CA 1.357 17 residues pruned to eliminate duplicates Z: 50 27.742 2.221 0.503 0.310 0.878 0.490 CA 1.670 50 residues pruned to eliminate duplicates Z: 57 28.440 2.189 0.466 0.340 0.839 0.500 CB 1.680 57 residues pruned to eliminate duplicates Z: 32 17.621 2.056 0.349 0.351 0.871 0.419 CB 1.540 32 residues pruned to eliminate duplicates Z: 38 20.505 2.095 0.314 0.383 0.865 0.486 CB 1.604 38 residues pruned to eliminate duplicates Z: 24 17.580 2.162 0.344 0.370 0.870 0.609 CA 1.668 24 residues pruned to eliminate duplicates Z: 33 18.072 2.141 0.342 0.349 0.844 0.500 CB 1.552 33 residues pruned to eliminate duplicates Z: 30 16.314 2.143 0.275 0.348 0.862 0.414 CB 1.517 30 residues pruned to eliminate duplicates Z: 55 27.009 2.223 0.524 0.306 0.815 0.407 CB 1.652 55 residues pruned to eliminate duplicates Z: 25 16.083 2.103 0.403 0.369 0.833 0.500 CA 1.536 25 residues pruned to eliminate duplicates Z: 25 18.020 2.105 0.391 0.382 0.875 0.542 CA 1.628 25 residues pruned to eliminate duplicates Z: 62 31.118 2.186 0.483 0.333 0.885 0.459 CA 1.667 63 residues pruned to eliminate duplicates Z: 6 6.373 1.798 0.400 0.430 0.800 0.600 O 1.523 6 residues pruned to eliminate duplicates Z: 29 16.578 2.178 0.276 0.372 0.821 0.500 CB 1.573 29 residues pruned to eliminate duplicates Z: 23 17.729 2.142 0.399 0.411 0.909 0.636 CA 1.523 23 residues pruned to eliminate duplicates Z: 18 9.984 2.132 0.154 0.379 0.765 0.471 CB 1.464 18 residues pruned to eliminate duplicates Z: 22 17.926 2.182 0.362 0.414 0.905 0.524 CA 1.591 22 residues pruned to eliminate duplicates Z: 58 24.147 2.150 0.366 0.335 0.877 0.439 CB 1.487 58 residues pruned to eliminate duplicates Z: 33 12.778 2.057 0.330 0.332 0.719 0.531 CB 1.380 33 residues pruned to eliminate duplicates Z: 90 40.390 2.137 0.385 0.519 0.910 0.551 CB 1.561 90 residues pruned to eliminate duplicates Z: 18 8.900 2.141 0.130 0.304 0.765 0.294 CB 1.452 18 residues pruned to eliminate duplicates Z: 62 27.777 2.153 0.468 0.320 0.869 0.459 CB 1.579 62 residues pruned to eliminate duplicates Z: 18 9.746 2.200 0.089 0.320 0.765 0.353 CB 1.574 18 residues pruned to eliminate duplicates Z: 56 24.184 2.156 0.411 0.308 0.836 0.436 CA 1.586 56 residues pruned to eliminate duplicates Z: 61 26.494 2.198 0.426 0.313 0.833 0.400 CA 1.610 61 residues pruned to eliminate duplicates Z: 60 26.683 2.196 0.462 0.307 0.864 0.458 CB 1.551 60 residues pruned to eliminate duplicates Z: 22 11.437 2.088 0.208 0.350 0.810 0.476 CB 1.438 22 residues pruned to eliminate duplicates Z: 61 24.856 2.180 0.417 0.296 0.817 0.417 CA 1.599 61 residues pruned to eliminate duplicates Z: 9 4.333 1.864 0.454 0.276 0.625 0.000 CB 1.165 9 residues pruned to eliminate duplicates Z: 17 7.776 2.037 0.255 0.307 0.688 0.375 CB 1.371 17 residues pruned to eliminate duplicates Z: 51 31.176 2.182 0.390 0.586 0.860 0.600 CB 1.557 51 residues pruned to eliminate duplicates Z: 50 36.741 2.190 0.513 0.596 0.878 0.612 CB 1.646 50 residues pruned to eliminate duplicates Z: 100 41.209 2.197 0.483 0.424 0.848 0.525 CB 1.621 100 residues pruned to eliminate duplicates Z: 38 31.073 2.241 0.338 0.656 0.946 0.838 CA 1.557 38 residues pruned to eliminate duplicates Z: 30 36.765 2.271 0.622 0.697 0.966 0.655 CB 1.604 30 residues pruned to eliminate duplicates Z: 31 33.398 2.182 0.474 0.727 1.000 0.733 CA 1.545 31 residues pruned to eliminate duplicates Z: 53 42.142 2.258 0.465 0.632 0.981 0.615 CB 1.591 53 residues pruned to eliminate duplicates Z: 43 33.373 2.236 0.287 0.677 0.976 0.714 CA 1.557 43 residues pruned to eliminate duplicates Z: 74 34.907 2.159 0.392 0.448 0.863 0.521 CB 1.662 74 residues pruned to eliminate duplicates Z: 22 25.416 2.215 0.790 0.585 0.905 0.524 CA 1.425 22 residues pruned to eliminate duplicates Z: 40 35.509 2.168 0.556 0.651 0.974 0.667 CA 1.502 40 residues pruned to eliminate duplicates Z: 57 34.150 2.207 0.456 0.534 0.839 0.518 CB 1.637 57 residues pruned to eliminate duplicates Z: 22 26.233 2.217 0.694 0.576 0.952 0.619 CA 1.488 22 residues pruned to eliminate duplicates Z: 60 35.004 2.233 0.411 0.518 0.898 0.525 CB 1.581 60 residues pruned to eliminate duplicates Z: 31 34.051 2.194 0.758 0.658 0.900 0.500 CA 1.547 31 residues pruned to eliminate duplicates Z: 54 42.468 2.254 0.508 0.612 0.981 0.585 CB 1.573 54 residues pruned to eliminate duplicates Z: 33 41.364 2.276 0.659 0.682 0.969 0.656 CA 1.692 33 residues pruned to eliminate duplicates Z: 52 29.260 2.194 0.382 0.494 0.863 0.412 CB 1.576 52 residues pruned to eliminate duplicates Z: 30 37.419 2.242 0.744 0.747 0.931 0.690 CA 1.531 30 residues pruned to eliminate duplicates Z: 37 37.473 2.292 0.524 0.653 0.944 0.556 CB 1.642 37 residues pruned to eliminate duplicates Z: 36 32.350 2.151 0.584 0.625 0.886 0.514 CA 1.611 36 residues pruned to eliminate duplicates Z: 37 42.203 2.214 0.663 0.722 1.000 0.583 CB 1.564 37 residues pruned to eliminate duplicates Z: 44 41.374 2.216 0.628 0.669 0.977 0.674 CA 1.531 44 residues pruned to eliminate duplicates Z: 38 31.962 2.226 0.417 0.638 0.973 0.676 CA 1.505 38 residues pruned to eliminate duplicates Z: 29 43.835 2.289 0.786 0.805 0.964 0.750 CA 1.610 29 residues pruned to eliminate duplicates Z: 43 33.597 2.149 0.682 0.551 0.929 0.500 CB 1.469 43 residues pruned to eliminate duplicates Z: 53 46.423 2.281 0.535 0.644 0.981 0.558 CA 1.638 53 residues pruned to eliminate duplicates Z: 14 15.906 2.250 0.474 0.495 0.923 0.615 CB 1.448 14 residues pruned to eliminate duplicates Z: 39 41.682 2.258 0.708 0.662 0.921 0.500 CA 1.638 39 residues pruned to eliminate duplicates Z: 31 20.802 2.155 0.446 0.415 0.967 0.367 CB 1.377 31 residues pruned to eliminate duplicates Z: 13 8.919 2.081 0.198 0.334 0.917 0.167 CA 1.351 13 residues pruned to eliminate duplicates Z: 17 11.630 2.166 0.071 0.534 0.938 0.625 CB 1.292 17 residues pruned to eliminate duplicates Z: 61 42.215 2.246 0.499 0.609 0.933 0.617 CB 1.563 61 residues pruned to eliminate duplicates Z: 42 45.588 2.267 0.629 0.679 1.000 0.683 CA 1.635 42 residues pruned to eliminate duplicates Z: 59 31.940 2.190 0.509 0.483 0.862 0.345 CB 1.498 59 residues pruned to eliminate duplicates Z: 40 33.730 2.203 0.511 0.650 0.923 0.462 CB 1.529 40 residues pruned to eliminate duplicates Z: 17 16.809 2.212 0.444 0.518 0.812 0.438 CB 1.591 17 residues pruned to eliminate duplicates Z: 79 43.177 2.202 0.521 0.564 0.897 0.462 CB 1.528 79 residues pruned to eliminate duplicates Z: 16 14.775 2.234 0.180 0.554 0.933 0.467 CB 1.472 16 residues pruned to eliminate duplicates Z: 41 42.010 2.269 0.611 0.639 0.975 0.575 CB 1.637 41 residues pruned to eliminate duplicates Z: 8 6.961 2.215 0.303 0.593 0.571 0.286 CA 1.460 8 residues pruned to eliminate duplicates Z: 66 32.746 2.180 0.427 0.525 0.846 0.523 CB 1.504 66 residues pruned to eliminate duplicates Z: 107 48.963 2.183 0.542 0.505 0.915 0.491 CB 1.537 107 residues pruned to eliminate duplicates Z: 59 27.592 2.172 0.328 0.514 0.879 0.431 CB 1.408 59 residues pruned to eliminate duplicates Z: 48 28.987 2.165 0.486 0.501 0.894 0.489 CB 1.468 48 residues pruned to eliminate duplicates Z: 25 24.632 2.280 0.567 0.489 0.917 0.458 CB 1.553 25 residues pruned to eliminate duplicates Z: 33 22.293 2.200 0.584 0.429 0.844 0.469 CB 1.443 33 residues pruned to eliminate duplicates Z: 10 10.726 2.261 0.582 0.265 0.889 0.222 CA 1.469 10 residues pruned to eliminate duplicates Z: 52 44.804 2.281 0.705 0.607 0.922 0.451 CB 1.582 52 residues pruned to eliminate duplicates Z: 54 41.932 2.264 0.627 0.589 0.943 0.491 CB 1.522 54 residues pruned to eliminate duplicates Z: 20 21.366 2.320 0.506 0.526 0.895 0.263 CB 1.529 20 residues pruned to eliminate duplicates Z: 58 37.890 2.244 0.575 0.543 0.860 0.421 CB 1.583 58 residues pruned to eliminate duplicates Z: 10 14.311 2.283 0.661 0.314 1.000 0.444 CA 1.545 10 residues pruned to eliminate duplicates Z: 29 16.104 2.070 0.628 0.339 0.821 0.464 CB 1.311 29 residues pruned to eliminate duplicates Z: 26 19.674 2.240 0.485 0.419 0.920 0.520 CB 1.400 26 residues pruned to eliminate duplicates Z: 61 42.975 2.234 0.592 0.598 0.933 0.650 CB 1.523 61 residues pruned to eliminate duplicates Z: 6 3.609 1.802 0.267 0.386 0.600 0.400 CB 1.329 6 residues pruned to eliminate duplicates Z: 19 21.861 2.088 0.436 0.657 1.000 0.556 CB 1.485 19 residues pruned to eliminate duplicates Z: 18 27.059 2.162 0.566 0.677 1.000 0.588 CA 1.647 18 residues pruned to eliminate duplicates Z: 13 15.932 1.962 0.456 0.679 1.000 0.583 CB 1.366 13 residues pruned to eliminate duplicates Z: 73 43.551 2.221 0.477 0.589 0.917 0.528 CB 1.567 73 residues pruned to eliminate duplicates Z: 19 17.691 2.082 0.305 0.589 0.944 0.722 CB 1.492 19 residues pruned to eliminate duplicates Z: 38 32.444 2.216 0.584 0.558 0.973 0.541 CB 1.477 38 residues pruned to eliminate duplicates Z: 18 24.144 2.151 0.553 0.644 1.000 0.706 CB 1.532 18 residues pruned to eliminate duplicates Z: 18 28.209 2.176 0.725 0.670 0.941 0.588 CB 1.656 18 residues pruned to eliminate duplicates Z: 19 22.917 2.100 0.682 0.647 0.889 0.667 CB 1.500 19 residues pruned to eliminate duplicates Z: 35 27.803 2.176 0.588 0.539 0.912 0.500 CB 1.456 35 residues pruned to eliminate duplicates Z: 12 14.542 1.869 0.587 0.790 1.000 0.455 CA 1.145 12 residues pruned to eliminate duplicates Z: 14 18.418 2.080 0.560 0.667 0.923 0.462 CA 1.461 14 residues pruned to eliminate duplicates Z: 23 25.581 2.187 0.372 0.789 1.000 0.682 CB 1.410 22 residues pruned to eliminate duplicates Z: 22 29.648 2.231 0.512 0.873 1.000 0.667 CA 1.396 23 residues pruned to eliminate duplicates Z: 22 31.685 2.228 0.653 0.833 1.000 0.524 CA 1.409 22 residues pruned to eliminate duplicates Z: 16 27.548 2.169 0.629 0.840 0.933 0.600 CB 1.610 16 residues pruned to eliminate duplicates Z: 17 22.666 2.127 0.585 0.818 0.875 0.688 CB 1.457 17 residues pruned to eliminate duplicates Z: 30 23.602 2.041 0.585 0.698 0.897 0.621 CB 1.261 30 residues pruned to eliminate duplicates Z: 19 29.727 2.247 0.582 0.808 0.944 0.722 CA 1.596 19 residues pruned to eliminate duplicates Z: 25 22.540 2.076 0.456 0.726 0.917 0.708 CB 1.354 25 residues pruned to eliminate duplicates Z: 17 28.421 2.320 0.567 0.808 0.938 0.562 CB 1.594 17 residues pruned to eliminate duplicates Z: 24 24.709 2.149 0.639 0.718 0.870 0.435 CB 1.382 24 residues pruned to eliminate duplicates Z: 25 24.657 2.076 0.580 0.689 0.917 0.333 CB 1.408 25 residues pruned to eliminate duplicates Z: 23 29.653 2.194 0.754 0.743 0.909 0.455 CA 1.454 27 residues pruned to eliminate duplicates Z: 24 26.615 2.096 0.715 0.809 0.913 0.565 CB 1.291 24 residues pruned to eliminate duplicates Z: 24 28.674 2.123 0.841 0.731 0.913 0.435 CA 1.362 24 residues pruned to eliminate duplicates Z: 23 27.000 2.168 0.711 0.787 0.864 0.455 CA 1.396 23 residues pruned to eliminate duplicates Z: 24 28.755 2.128 0.781 0.758 0.870 0.435 CB 1.446 24 residues pruned to eliminate duplicates Z: 23 23.045 2.111 0.677 0.711 0.818 0.409 CB 1.400 23 residues pruned to eliminate duplicates Z: 11 13.982 2.045 1.001 0.667 0.800 0.400 CA 1.158 11 residues pruned to eliminate duplicates Z: 23 28.007 2.146 0.840 0.755 0.864 0.318 CA 1.395 23 residues pruned to eliminate duplicates Z: 23 38.384 2.196 0.937 0.789 0.955 0.636 CA 1.564 23 residues pruned to eliminate duplicates Z: 6 5.255 1.940 -0.020 0.678 1.000 0.200 CA 1.049 6 residues pruned to eliminate duplicates Z: 6 6.502 1.961 0.381 0.668 0.800 0.400 CA 1.149 6 residues pruned to eliminate duplicates Z: 30 12.569 1.939 0.190 0.368 0.862 0.483 CB 1.351 30 residues pruned to eliminate duplicates Z: 11 10.636 1.987 0.407 0.477 0.800 0.500 N 1.539 11 residues pruned to eliminate duplicates Z: 23 12.405 1.924 0.413 0.319 0.818 0.364 CB 1.452 23 residues pruned to eliminate duplicates Z: 20 14.497 1.938 0.390 0.382 0.895 0.368 N 1.564 21 residues pruned to eliminate duplicates Z: 6 4.473 1.829 0.501 0.271 0.800 0.400 CA 1.181 6 residues pruned to eliminate duplicates Z: 15 8.316 1.998 0.290 0.264 0.786 0.286 CA 1.437 15 residues pruned to eliminate duplicates Z: 21 7.480 1.739 0.267 0.323 0.800 0.400 CB 1.153 21 residues pruned to eliminate duplicates Z: 21 9.008 1.973 0.162 0.307 0.800 0.450 CB 1.362 21 residues pruned to eliminate duplicates Z: 22 12.216 2.048 0.358 0.246 0.810 0.429 CB 1.588 22 residues pruned to eliminate duplicates Z: 22 11.562 2.059 0.400 0.268 0.762 0.476 CB 1.496 22 residues pruned to eliminate duplicates Z: 32 16.067 2.049 0.350 0.323 0.806 0.387 CB 1.572 33 residues pruned to eliminate duplicates Z: 7 4.093 1.471 0.573 0.290 0.833 0.500 N 1.097 7 residues pruned to eliminate duplicates Z: 9 5.310 2.107 0.330 0.259 0.625 0.500 CB 1.412 9 residues pruned to eliminate duplicates Z: 7 5.042 1.540 0.521 0.388 0.833 0.833 N 1.188 7 residues pruned to eliminate duplicates Z: 31 10.808 1.828 0.431 0.344 0.700 0.433 CB 1.278 54 residues pruned to eliminate duplicates Z: 17 10.613 1.823 0.540 0.494 0.875 0.562 CB 1.086 Z: 6 7.092 1.604 0.259 0.732 1.000 0.400 CA 1.275 5 residues pruned to eliminate duplicates Z: 6 3.201 1.894 0.423 0.392 0.600 0.600 CB 0.993 6 residues pruned to eliminate duplicates Z: 21 11.338 1.834 0.429 0.380 0.850 0.400 CB 1.293 18 residues pruned to eliminate duplicates Z: 10 8.531 1.859 0.547 0.451 0.889 0.333 CB 1.169 10 residues pruned to eliminate duplicates Z: 9 8.997 1.974 0.657 0.516 0.875 0.375 CB 1.095 9 residues pruned to eliminate duplicates Z: 10 5.325 1.942 0.579 0.484 0.667 0.556 CB 0.882 10 residues pruned to eliminate duplicates Z: 9 7.107 1.919 0.566 0.614 0.750 0.500 CB 1.001 9 residues pruned to eliminate duplicates Z: 11 6.678 1.941 0.841 0.416 0.700 0.300 CB 0.922 11 residues pruned to eliminate duplicates Z: 11 7.567 1.829 0.593 0.523 0.700 0.500 CB 1.147 11 residues pruned to eliminate duplicates Z: 9 8.656 2.044 0.743 0.481 0.875 0.250 CB 1.001 9 residues pruned to eliminate duplicates Z: 20 12.060 2.036 0.241 0.494 0.789 0.474 CA 1.395 20 residues pruned to eliminate duplicates Z: 19 12.671 2.104 0.216 0.454 0.833 0.444 CA 1.469 20 residues pruned to eliminate duplicates Z: 6 4.910 1.607 0.932 0.368 1.000 0.200 CA 0.814 6 residues pruned to eliminate duplicates Z: 18 14.469 2.165 0.149 0.497 0.941 0.529 CA 1.503 19 residues pruned to eliminate duplicates Z: 6 8.872 1.810 0.444 0.494 1.000 0.600 CA 1.526 6 residues pruned to eliminate duplicates Z: 11 9.617 1.890 0.408 0.525 0.800 0.500 CB 1.393 11 residues pruned to eliminate duplicates Z: 12 3.800 1.615 0.011 0.177 0.818 0.455 CB 1.268 17 residues pruned to eliminate duplicates Z: 6 6.091 1.747 0.724 0.499 0.800 0.200 CB 1.132 Z: 6 4.696 1.656 0.399 0.345 1.000 0.400 CA 1.072 4 residues pruned to eliminate duplicates Z: 18 12.969 2.102 0.262 0.433 0.824 0.471 CA 1.543 19 residues pruned to eliminate duplicates Z: 20 11.546 2.035 0.183 0.367 0.842 0.526 CB 1.507 20 residues pruned to eliminate duplicates Z: 25 13.544 1.995 0.467 0.390 0.792 0.458 CB 1.341 25 residues pruned to eliminate duplicates Z: 19 12.532 2.049 0.206 0.427 0.833 0.444 CB 1.548 19 residues pruned to eliminate duplicates Z: 15 7.869 2.061 -0.007 0.339 0.857 0.571 CA 1.429 15 residues pruned to eliminate duplicates Z: 35 18.404 2.034 0.262 0.416 0.912 0.500 CA 1.473 35 residues pruned to eliminate duplicates Z: 8 4.572 2.019 0.274 0.177 0.714 0.286 CB 1.390 8 residues pruned to eliminate duplicates Z: 32 19.502 2.047 0.355 0.419 0.903 0.581 CA 1.520 32 residues pruned to eliminate duplicates Z: 34 16.424 1.987 0.235 0.391 0.879 0.606 CB 1.488 34 residues pruned to eliminate duplicates Z: 22 17.488 2.035 0.249 0.514 1.000 0.619 CA 1.480 22 residues pruned to eliminate duplicates Z: 37 18.891 2.015 0.316 0.417 0.917 0.583 CB 1.412 37 residues pruned to eliminate duplicates Z: 9 7.598 1.787 0.446 0.392 0.875 0.375 CB 1.332 9 residues pruned to eliminate duplicates Z: 24 14.312 1.969 0.302 0.413 0.870 0.652 CB 1.465 24 residues pruned to eliminate duplicates Z: 14 10.510 1.911 0.247 0.444 0.846 0.462 CA 1.533 14 residues pruned to eliminate duplicates Z: 59 22.761 2.045 0.303 0.379 0.845 0.483 CA 1.510 61 residues pruned to eliminate duplicates Z: 34 20.740 2.023 0.338 0.479 0.939 0.667 CB 1.450 34 residues pruned to eliminate duplicates Z: 13 10.161 1.873 0.482 0.384 0.833 0.500 N 1.433 13 residues pruned to eliminate duplicates Z: 15 18.012 2.100 0.377 0.586 1.000 0.786 CA 1.532 15 residues pruned to eliminate duplicates Z: 33 18.151 1.994 0.232 0.442 0.938 0.500 CB 1.479 33 residues pruned to eliminate duplicates Z: 23 17.298 2.045 0.319 0.515 0.955 0.682 CB 1.410 23 residues pruned to eliminate duplicates Z: 15 14.328 2.024 0.400 0.520 1.000 0.643 CA 1.324 15 residues pruned to eliminate duplicates Z: 17 11.736 1.962 0.200 0.556 0.938 0.500 CB 1.259 17 residues pruned to eliminate duplicates Z: 22 11.090 1.860 0.368 0.407 0.952 0.476 CB 1.101 22 residues pruned to eliminate duplicates Z: 15 18.164 2.108 0.458 0.576 1.000 0.714 CB 1.468 15 residues pruned to eliminate duplicates Z: 24 20.811 2.029 0.432 0.461 1.000 0.565 CA 1.553 24 residues pruned to eliminate duplicates Z: 12 13.761 2.159 0.142 0.640 1.000 0.818 CB 1.477 12 residues pruned to eliminate duplicates Z: 11 15.909 2.160 0.281 0.705 1.000 0.800 CA 1.508 11 residues pruned to eliminate duplicates Z: 13 14.038 2.114 0.283 0.609 1.000 0.667 CB 1.348 13 residues pruned to eliminate duplicates Z: 23 14.923 1.954 0.280 0.540 0.955 0.636 CB 1.281 23 residues pruned to eliminate duplicates Z: 7 17.403 2.266 0.781 0.661 1.000 0.833 CA 1.516 7 residues pruned to eliminate duplicates Z: 12 16.249 2.043 0.540 0.539 0.909 0.455 CA 1.650 13 residues pruned to eliminate duplicates Z: 6 3.236 1.819 -0.088 0.466 0.800 0.400 CB 1.129 6 residues pruned to eliminate duplicates Z: 13 14.872 2.033 0.260 0.597 0.917 0.667 CB 1.667 13 residues pruned to eliminate duplicates Z: 12 18.937 2.120 0.370 0.620 1.000 0.636 CB 1.755 11 residues pruned to eliminate duplicates Z: 6 5.446 1.723 0.428 0.403 0.800 0.600 CA 1.369 6 residues pruned to eliminate duplicates Z: 15 15.035 2.088 0.670 0.499 0.857 0.714 CA 1.346 19 residues pruned to eliminate duplicates Z: 11 14.401 1.872 0.654 0.568 1.000 0.700 CA 1.378 11 residues pruned to eliminate duplicates Z: 10 15.181 1.879 0.836 0.654 1.000 0.556 CA 1.271 9 residues pruned to eliminate duplicates Z: 10 16.075 1.885 0.827 0.798 1.000 0.667 CA 1.199 11 residues pruned to eliminate duplicates Z: 9 11.198 1.805 0.715 0.803 1.000 0.750 CA 0.982 9 residues pruned to eliminate duplicates Z: 19 18.926 2.032 0.603 0.557 0.944 0.722 CA 1.371 16 residues pruned to eliminate duplicates Z: 10 13.654 1.909 0.623 0.816 1.000 0.556 CA 1.116 10 residues pruned to eliminate duplicates Z: 21 14.809 1.991 0.517 0.480 0.800 0.500 CA 1.398 21 residues pruned to eliminate duplicates 6 1.924 1.518 0.594 0.229 0.600 0.200 CB 0.813 ? Z: 21 22.243 2.010 0.759 0.527 0.900 0.600 CA 1.522 20 residues pruned to eliminate duplicates 511 residues left after pruning, divided into chains as follows: A: 6 B: 6 C: 7 D: 13 E: 21 F: 18 G: 13 H: 20 I: 8 J: 91 K: 9 L: 133 M: 24 N: 32 O: 21 P: 59 Q: 12 R: 18 CC for partial structure against native data = 18.59 % ------------------------------------------------------------------------------ Global autotracing cycle 18 = 0.300, Contrast = 0.417, Connect. = 0.679 for dens.mod. cycle 1 = 0.300, Contrast = 0.480, Connect. = 0.702 for dens.mod. cycle 2 = 0.300, Contrast = 0.551, Connect. = 0.736 for dens.mod. cycle 3 = 0.300, Contrast = 0.557, Connect. = 0.741 for dens.mod. cycle 4 = 0.300, Contrast = 0.564, Connect. = 0.746 for dens.mod. cycle 5 = 0.300, Contrast = 0.568, Connect. = 0.749 for dens.mod. cycle 6 = 0.300, Contrast = 0.572, Connect. = 0.752 for dens.mod. cycle 7 = 0.300, Contrast = 0.574, Connect. = 0.754 for dens.mod. cycle 8 = 0.300, Contrast = 0.576, Connect. = 0.756 for dens.mod. cycle 9 = 0.300, Contrast = 0.576, Connect. = 0.758 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6905 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1164 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 25.442 2.108 0.584 0.860 0.941 0.647 CB 1.444 B: 21 33.168 2.271 0.522 0.892 0.900 0.500 CB 1.713 C: 22 34.273 2.207 0.466 0.916 1.000 0.667 CB 1.632 21 residues pruned to eliminate duplicates D: 19 11.540 2.137 0.261 0.423 0.722 0.556 CB 1.514 E: 21 34.357 2.259 0.539 0.897 0.950 0.550 CB 1.665 21 residues pruned to eliminate duplicates F: 9 10.405 2.230 0.404 0.479 0.875 0.625 CB 1.371 G: 17 13.566 2.001 0.300 0.455 0.938 0.625 CB 1.456 H: 20 40.581 2.233 0.699 0.916 1.000 0.737 CA 1.732 21 residues pruned to eliminate duplicates I: 22 29.587 2.153 0.725 0.837 0.952 0.571 CA 1.365 18 residues pruned to eliminate duplicates J: 17 31.796 2.214 0.570 0.915 0.938 0.812 CA 1.724 17 residues pruned to eliminate duplicates K: 19 28.836 2.248 0.305 0.911 1.000 0.833 CA 1.642 19 residues pruned to eliminate duplicates L: 21 40.242 2.328 0.542 0.919 1.000 0.900 CB 1.767 21 residues pruned to eliminate duplicates M: 21 40.048 2.346 0.762 0.927 0.900 0.450 CB 1.687 21 residues pruned to eliminate duplicates N: 24 19.826 2.276 0.515 0.349 0.913 0.435 CA 1.546 O: 22 36.387 2.222 0.576 0.902 0.952 0.571 CB 1.698 22 residues pruned to eliminate duplicates P: 21 21.007 2.150 0.328 0.872 0.950 0.650 CA 1.262 22 residues pruned to eliminate duplicates Q: 15 10.751 1.888 0.112 0.450 0.929 0.571 CA 1.552 R: 21 40.717 2.366 0.522 0.903 1.000 0.650 CB 1.802 21 residues pruned to eliminate duplicates S: 75 40.912 2.264 0.498 0.516 0.892 0.365 CB 1.547 30 residues pruned to eliminate duplicates T: 23 34.428 2.145 0.591 0.835 1.000 0.545 CB 1.610 23 residues pruned to eliminate duplicates U: 27 16.822 2.013 0.459 0.447 0.808 0.462 CA 1.469 7 residues pruned to eliminate duplicates V: 53 40.934 2.264 0.645 0.605 0.885 0.538 CB 1.559 53 residues pruned to eliminate duplicates W: 9 5.636 2.025 0.150 0.356 0.625 0.375 CB 1.598 X: 9 10.085 2.169 0.234 0.764 0.750 0.750 CB 1.406 Y: 7 6.328 1.874 0.102 0.469 1.000 0.667 CB 1.291 7 residues pruned to eliminate duplicates Z: 21 30.354 2.218 0.436 0.845 1.000 0.700 CB 1.585 21 residues pruned to eliminate duplicates Z: 11 8.979 1.811 0.149 0.494 0.900 0.600 CA 1.526 Z: 13 15.179 1.950 0.224 0.813 1.000 0.333 CA 1.398 9 residues pruned to eliminate duplicates Z: 17 39.345 2.229 0.870 0.884 1.000 0.750 CB 1.705 17 residues pruned to eliminate duplicates Z: 21 24.884 2.009 0.446 0.848 0.950 0.800 CA 1.496 Z: 12 7.812 1.945 0.544 0.277 0.727 0.273 CA 1.387 12 residues pruned to eliminate duplicates Z: 48 41.167 2.285 0.586 0.629 0.936 0.298 CB 1.567 48 residues pruned to eliminate duplicates Z: 13 19.038 2.259 0.364 0.835 0.833 0.583 CB 1.604 13 residues pruned to eliminate duplicates Z: 31 13.727 2.047 0.202 0.342 0.800 0.500 CB 1.512 19 residues pruned to eliminate duplicates Z: 20 36.143 2.272 0.598 0.877 1.000 0.842 CB 1.659 20 residues pruned to eliminate duplicates Z: 18 17.988 2.060 0.555 0.877 0.882 0.588 CA 1.121 Z: 14 12.758 1.984 0.093 0.624 0.923 0.615 CB 1.573 Z: 12 19.254 2.086 0.443 0.886 1.000 0.636 CB 1.391 12 residues pruned to eliminate duplicates Z: 22 26.230 2.103 0.594 0.824 0.905 0.762 CA 1.426 21 residues pruned to eliminate duplicates Z: 12 13.005 2.037 0.282 0.774 0.909 0.455 CA 1.296 12 residues pruned to eliminate duplicates Z: 57 21.869 2.144 0.375 0.300 0.786 0.429 CB 1.578 55 residues pruned to eliminate duplicates Z: 12 13.894 1.752 0.618 0.824 0.909 0.727 CA 1.228 11 residues pruned to eliminate duplicates Z: 16 22.542 2.276 0.273 0.855 0.867 0.667 CB 1.711 16 residues pruned to eliminate duplicates Z: 18 20.881 2.211 0.427 0.852 0.882 0.647 CB 1.345 18 residues pruned to eliminate duplicates Z: 11 10.609 1.983 0.409 0.575 0.800 0.500 CB 1.396 Z: 19 21.416 1.971 0.427 0.910 1.000 0.944 CA 1.272 18 residues pruned to eliminate duplicates Z: 13 17.832 2.050 0.468 0.803 1.000 0.750 CA 1.313 13 residues pruned to eliminate duplicates Z: 71 44.983 2.259 0.597 0.580 0.886 0.457 CB 1.558 71 residues pruned to eliminate duplicates Z: 21 15.045 1.936 0.545 0.518 0.750 0.400 CA 1.473 Z: 19 22.879 2.118 0.731 0.801 0.889 0.500 CA 1.272 19 residues pruned to eliminate duplicates Z: 28 16.837 2.211 0.398 0.327 0.815 0.407 CA 1.556 28 residues pruned to eliminate duplicates Z: 20 37.613 2.185 0.797 0.869 0.947 0.421 CB 1.695 20 residues pruned to eliminate duplicates Z: 16 10.027 2.090 0.576 0.233 0.867 0.333 CA 1.237 16 residues pruned to eliminate duplicates Z: 16 11.184 2.195 0.127 0.422 0.867 0.400 CB 1.460 16 residues pruned to eliminate duplicates Z: 18 15.335 1.935 0.359 0.525 0.941 0.588 CB 1.466 17 residues pruned to eliminate duplicates Z: 7 10.052 1.817 0.321 0.665 1.000 0.500 CA 1.467 Z: 46 34.977 2.193 0.552 0.597 0.933 0.556 CB 1.495 46 residues pruned to eliminate duplicates Z: 12 16.249 2.146 0.515 0.475 1.000 0.545 CB 1.546 12 residues pruned to eliminate duplicates Z: 12 10.493 1.914 0.305 0.505 0.909 0.636 CB 1.386 12 residues pruned to eliminate duplicates Z: 17 21.552 2.099 0.541 0.739 0.938 0.562 CA 1.434 17 residues pruned to eliminate duplicates Z: 12 17.676 2.061 0.275 0.893 1.000 0.818 CA 1.456 11 residues pruned to eliminate duplicates Z: 22 24.722 2.033 0.452 0.850 0.952 0.619 CA 1.422 21 residues pruned to eliminate duplicates Z: 19 36.917 2.289 0.885 0.928 0.833 0.222 CB 1.696 19 residues pruned to eliminate duplicates Z: 10 9.754 2.153 0.105 0.567 0.889 0.667 CA 1.441 Z: 7 6.065 1.977 0.377 0.352 0.833 0.667 CA 1.281 Z: 37 22.701 2.148 0.423 0.454 0.917 0.528 CB 1.416 37 residues pruned to eliminate duplicates Z: 33 24.407 2.091 0.364 0.493 1.000 0.625 CB 1.523 10 residues pruned to eliminate duplicates Z: 7 6.436 1.878 0.399 0.414 0.833 0.333 CB 1.313 Z: 22 33.606 2.248 0.445 0.844 0.952 0.667 CA 1.764 22 residues pruned to eliminate duplicates Z: 19 11.457 2.033 0.153 0.437 0.833 0.500 CA 1.474 14 residues pruned to eliminate duplicates Z: 12 12.432 2.168 0.095 0.786 0.909 0.727 CB 1.351 12 residues pruned to eliminate duplicates Z: 7 9.247 2.206 0.130 0.484 1.000 0.667 CA 1.538 7 residues pruned to eliminate duplicates Z: 14 8.022 1.841 0.147 0.467 0.769 0.538 CA 1.416 Z: 20 45.055 2.382 0.779 0.904 1.000 0.632 CB 1.737 20 residues pruned to eliminate duplicates Z: 10 5.641 1.739 0.132 0.421 0.889 0.333 CA 1.168 10 residues pruned to eliminate duplicates Z: 12 11.728 2.161 0.067 0.871 0.909 0.636 CB 1.232 12 residues pruned to eliminate duplicates Z: 6 6.778 1.712 0.135 0.729 1.000 0.800 CB 1.269 Z: 17 20.424 2.102 0.469 0.533 1.000 0.688 CA 1.601 18 residues pruned to eliminate duplicates Z: 21 11.998 2.030 0.192 0.440 0.800 0.500 CA 1.474 21 residues pruned to eliminate duplicates Z: 22 28.877 2.144 0.569 0.862 0.952 0.762 CA 1.444 22 residues pruned to eliminate duplicates Z: 8 9.160 1.919 -0.010 0.817 1.000 0.714 CB 1.385 Z: 64 24.372 2.114 0.402 0.293 0.841 0.397 CA 1.553 64 residues pruned to eliminate duplicates Z: 21 9.796 1.811 0.100 0.413 0.850 0.450 N 1.417 Z: 22 29.798 2.016 0.570 0.881 1.000 0.714 CA 1.488 22 residues pruned to eliminate duplicates Z: 21 10.283 2.142 0.323 0.222 0.750 0.450 CA 1.497 21 residues pruned to eliminate duplicates Z: 8 12.935 1.725 0.988 0.778 1.000 0.714 CA 1.116 8 residues pruned to eliminate duplicates Z: 10 17.990 2.142 0.523 0.622 1.000 0.778 CA 1.639 10 residues pruned to eliminate duplicates Z: 18 12.382 1.823 0.366 0.885 0.941 0.824 CA 0.925 18 residues pruned to eliminate duplicates Z: 8 4.425 1.603 0.050 0.351 0.857 0.429 N 1.361 Z: 14 15.979 1.938 0.749 0.859 1.000 0.846 CA 0.963 14 residues pruned to eliminate duplicates Z: 7 9.885 1.745 0.887 0.842 0.833 0.833 CA 1.096 7 residues pruned to eliminate duplicates Z: 21 29.501 1.997 0.570 0.862 0.950 0.650 CA 1.626 21 residues pruned to eliminate duplicates Z: 29 12.739 1.949 0.169 0.380 0.857 0.429 CB 1.401 28 residues pruned to eliminate duplicates Z: 15 8.756 1.910 0.303 0.393 0.786 0.571 CA 1.341 15 residues pruned to eliminate duplicates Z: 7 9.139 2.141 0.434 0.573 1.000 0.667 CA 1.132 Z: 12 9.791 1.903 0.205 0.529 0.818 0.545 N 1.530 12 residues pruned to eliminate duplicates Z: 14 10.243 2.060 0.427 0.487 0.769 0.385 CA 1.273 14 residues pruned to eliminate duplicates Z: 12 21.194 2.091 0.455 0.797 1.000 0.455 CA 1.620 13 residues pruned to eliminate duplicates Z: 8 4.305 1.762 0.244 0.523 0.857 0.429 CA 0.846 8 residues pruned to eliminate duplicates Z: 9 8.962 1.848 0.664 0.423 0.875 0.625 CA 1.276 7 residues pruned to eliminate duplicates Z: 12 15.723 2.159 0.383 0.659 1.000 0.818 CB 1.370 12 residues pruned to eliminate duplicates Z: 10 10.529 1.963 0.116 0.854 0.889 0.667 CA 1.332 10 residues pruned to eliminate duplicates Z: 10 12.999 1.927 0.968 0.549 0.889 0.556 CB 1.225 10 residues pruned to eliminate duplicates Z: 19 10.850 1.738 0.375 0.821 0.889 0.556 CB 0.911 19 residues pruned to eliminate duplicates Z: 20 23.368 2.180 0.359 0.889 0.947 0.632 CB 1.375 22 residues pruned to eliminate duplicates Z: 6 4.888 1.804 0.148 0.463 1.000 0.800 CB 1.096 7 residues pruned to eliminate duplicates Z: 11 10.887 1.885 0.276 0.850 0.900 0.900 CA 1.178 11 residues pruned to eliminate duplicates Z: 6 5.519 1.905 0.455 0.534 0.800 0.800 CA 1.077 6 residues pruned to eliminate duplicates Z: 15 7.328 1.756 0.526 0.292 0.857 0.286 CB 1.076 10 residues pruned to eliminate duplicates Z: 18 27.388 2.058 0.917 0.888 0.941 0.471 CA 1.288 19 residues pruned to eliminate duplicates Z: 12 11.827 2.038 0.412 0.801 0.909 0.455 CB 1.047 12 residues pruned to eliminate duplicates Z: 28 19.016 2.177 0.493 0.347 0.852 0.593 CA 1.561 27 residues pruned to eliminate duplicates Z: 9 9.117 1.841 0.460 0.393 1.000 0.750 CA 1.344 8 residues pruned to eliminate duplicates Z: 10 7.699 1.952 0.088 0.438 0.889 0.667 CB 1.449 9 residues pruned to eliminate duplicates Z: 18 10.721 1.815 0.400 0.409 0.882 0.412 CB 1.276 18 residues pruned to eliminate duplicates Z: 12 4.011 1.701 0.391 0.275 0.818 0.364 CB 0.806 Z: 10 12.248 1.859 0.643 0.864 0.778 0.778 CA 1.260 10 residues pruned to eliminate duplicates Z: 21 25.096 1.999 0.344 0.854 1.000 0.700 CA 1.542 21 residues pruned to eliminate duplicates Z: 10 16.625 1.863 0.741 0.834 1.000 0.667 CA 1.280 14 residues pruned to eliminate duplicates Z: 14 14.344 2.007 0.259 0.690 1.000 0.692 CB 1.323 14 residues pruned to eliminate duplicates Z: 7 2.684 1.780 0.358 0.646 0.667 0.500 CB 0.593 Z: 12 11.481 1.971 0.220 0.472 0.909 0.636 CA 1.630 12 residues pruned to eliminate duplicates Z: 8 7.529 1.832 0.683 0.467 0.714 0.429 CB 1.335 8 residues pruned to eliminate duplicates Z: 22 37.118 2.035 0.753 0.865 1.000 0.429 CA 1.664 22 residues pruned to eliminate duplicates Z: 6 5.628 1.796 0.435 0.475 1.000 0.600 CA 1.002 Z: 19 27.280 2.114 0.785 0.923 1.000 0.611 CA 1.197 19 residues pruned to eliminate duplicates Z: 11 13.157 2.163 0.110 0.834 1.000 0.700 CA 1.300 11 residues pruned to eliminate duplicates Z: 16 23.107 2.091 0.534 0.886 0.933 0.667 CB 1.439 16 residues pruned to eliminate duplicates Z: 30 21.990 2.089 0.486 0.427 0.966 0.517 CA 1.469 30 residues pruned to eliminate duplicates Z: 21 47.806 2.352 0.880 0.904 0.950 0.350 CA 1.813 21 residues pruned to eliminate duplicates Z: 11 12.025 1.891 0.711 0.450 0.900 0.500 CB 1.375 9 residues pruned to eliminate duplicates Z: 20 31.160 2.220 0.447 0.890 1.000 0.895 CA 1.601 20 residues pruned to eliminate duplicates Z: 6 6.261 1.716 0.037 0.807 0.800 0.600 O 1.504 6 residues pruned to eliminate duplicates Z: 15 9.078 1.923 0.424 0.373 0.857 0.500 CB 1.184 12 residues pruned to eliminate duplicates Z: 17 15.539 1.981 0.458 0.873 0.938 0.750 CA 1.045 17 residues pruned to eliminate duplicates Z: 15 8.944 1.886 0.624 0.378 0.714 0.571 CB 1.245 Z: 35 19.470 1.996 0.233 0.491 0.971 0.647 CA 1.410 35 residues pruned to eliminate duplicates Z: 9 5.707 1.727 0.174 0.399 0.875 0.375 CB 1.265 9 residues pruned to eliminate duplicates Z: 16 35.298 2.273 0.955 0.864 0.933 0.667 CB 1.612 16 residues pruned to eliminate duplicates Z: 56 24.970 2.132 0.432 0.315 0.855 0.436 CB 1.584 57 residues pruned to eliminate duplicates Z: 20 9.604 1.922 0.339 0.423 0.789 0.579 CB 1.175 20 residues pruned to eliminate duplicates Z: 18 13.016 1.926 0.682 0.383 0.824 0.353 CB 1.340 Z: 12 14.038 2.116 0.276 0.462 1.000 0.545 CB 1.629 14 residues pruned to eliminate duplicates Z: 17 9.298 1.599 0.804 0.458 0.812 0.250 CB 1.035 17 residues pruned to eliminate duplicates Z: 8 10.115 2.046 0.762 0.543 0.714 0.571 CB 1.424 8 residues pruned to eliminate duplicates Z: 21 17.443 2.115 0.451 0.867 0.750 0.400 CB 1.240 21 residues pruned to eliminate duplicates Z: 12 6.968 1.805 0.296 0.394 0.909 0.727 CA 1.105 12 residues pruned to eliminate duplicates Z: 22 11.659 1.854 0.337 0.411 0.905 0.476 CB 1.245 22 residues pruned to eliminate duplicates Z: 24 39.908 2.118 0.694 0.873 1.000 0.478 CB 1.690 24 residues pruned to eliminate duplicates Z: 13 12.331 1.915 0.578 0.496 0.833 0.417 CA 1.419 13 residues pruned to eliminate duplicates Z: 6 9.399 1.980 1.117 0.605 0.800 0.400 CB 1.134 7 residues pruned to eliminate duplicates Z: 34 20.581 2.010 0.411 0.445 0.909 0.636 CA 1.470 34 residues pruned to eliminate duplicates Z: 11 8.221 1.641 0.211 0.590 0.900 0.400 CA 1.333 11 residues pruned to eliminate duplicates Z: 22 28.688 2.001 0.617 0.906 1.000 0.810 CA 1.376 22 residues pruned to eliminate duplicates Z: 11 14.761 1.921 0.334 0.849 0.900 0.500 CA 1.500 11 residues pruned to eliminate duplicates Z: 7 7.842 1.875 0.323 0.695 0.833 0.833 O 1.296 Z: 49 28.131 1.986 0.407 0.670 0.979 0.729 CA 1.268 47 residues pruned to eliminate duplicates Z: 9 10.387 1.934 0.607 0.425 0.875 0.625 CB 1.460 9 residues pruned to eliminate duplicates Z: 20 42.101 2.385 0.595 0.907 1.000 0.474 CB 1.804 20 residues pruned to eliminate duplicates Z: 8 13.369 2.014 0.587 0.686 1.000 0.714 CA 1.333 8 residues pruned to eliminate duplicates Z: 8 4.624 1.703 0.264 0.363 0.714 0.571 CB 1.317 7 residues pruned to eliminate duplicates Z: 17 22.188 2.145 0.473 0.669 0.938 0.688 CB 1.603 17 residues pruned to eliminate duplicates Z: 17 9.959 1.802 0.346 0.327 0.875 0.500 CB 1.418 17 residues pruned to eliminate duplicates Z: 6 4.686 1.445 0.327 0.743 0.800 0.800 CA 1.099 6 residues pruned to eliminate duplicates Z: 35 15.284 2.056 0.332 0.334 0.735 0.412 CB 1.560 35 residues pruned to eliminate duplicates Z: 13 10.389 1.958 0.071 0.531 1.000 0.750 CB 1.388 13 residues pruned to eliminate duplicates Z: 6 9.166 1.846 0.784 0.611 0.800 0.600 C 1.400 6 residues pruned to eliminate duplicates Z: 65 40.604 2.222 0.633 0.519 0.906 0.375 CB 1.514 65 residues pruned to eliminate duplicates Z: 31 15.024 1.969 0.319 0.333 0.800 0.567 CB 1.585 29 residues pruned to eliminate duplicates Z: 20 21.125 2.069 0.667 0.887 0.737 0.474 CB 1.375 20 residues pruned to eliminate duplicates Z: 12 8.442 1.847 0.158 0.530 0.818 0.545 N 1.414 12 residues pruned to eliminate duplicates Z: 22 28.883 1.999 0.679 0.804 0.952 0.619 CB 1.512 22 residues pruned to eliminate duplicates Z: 17 13.173 2.039 0.263 0.469 1.000 0.625 CA 1.320 17 residues pruned to eliminate duplicates Z: 6 6.643 1.898 0.806 0.336 0.800 0.400 CA 1.296 6 residues pruned to eliminate duplicates Z: 18 19.813 1.996 0.731 0.886 1.000 0.588 CA 1.004 18 residues pruned to eliminate duplicates Z: 6 5.394 1.972 0.524 0.484 0.600 0.600 CA 1.359 6 residues pruned to eliminate duplicates Z: 34 16.176 2.087 0.288 0.328 0.848 0.424 CB 1.491 34 residues pruned to eliminate duplicates Z: 15 9.662 1.980 0.256 0.366 0.786 0.429 CA 1.525 15 residues pruned to eliminate duplicates Z: 17 9.194 1.774 0.307 0.450 0.812 0.500 CB 1.284 17 residues pruned to eliminate duplicates Z: 9 6.042 1.734 0.154 0.500 0.750 0.375 CA 1.423 9 residues pruned to eliminate duplicates Z: 6 5.304 1.777 0.658 0.467 0.800 0.600 CB 1.041 Z: 11 13.630 1.887 0.483 0.881 0.900 0.500 CA 1.240 11 residues pruned to eliminate duplicates Z: 20 17.508 1.935 0.445 0.884 1.000 0.842 CA 1.038 20 residues pruned to eliminate duplicates Z: 23 13.825 1.976 0.422 0.371 0.818 0.545 CB 1.473 18 residues pruned to eliminate duplicates Z: 6 5.667 1.684 0.643 0.451 0.800 0.600 CB 1.203 Z: 8 5.321 1.526 0.521 0.350 1.000 0.571 N 1.019 Z: 9 9.706 2.135 0.080 0.779 0.875 0.875 CB 1.329 9 residues pruned to eliminate duplicates Z: 7 9.102 1.855 0.630 0.559 1.000 0.500 CA 1.161 7 residues pruned to eliminate duplicates Z: 10 11.586 1.918 0.350 0.565 1.000 0.444 N 1.401 10 residues pruned to eliminate duplicates Z: 11 17.920 2.058 0.756 0.874 0.900 0.600 CA 1.268 11 residues pruned to eliminate duplicates Z: 12 17.464 2.088 0.396 0.647 1.000 0.818 CB 1.575 12 residues pruned to eliminate duplicates Z: 10 10.967 2.170 0.163 0.803 0.778 0.444 CA 1.430 10 residues pruned to eliminate duplicates Z: 26 12.908 1.984 0.191 0.348 0.840 0.400 CB 1.535 26 residues pruned to eliminate duplicates Z: 12 7.676 1.963 0.112 0.390 0.909 0.545 CA 1.311 12 residues pruned to eliminate duplicates Z: 11 8.185 1.659 0.321 0.482 0.900 0.600 CA 1.337 8 residues pruned to eliminate duplicates Z: 10 7.099 1.987 0.020 0.420 0.889 0.444 CA 1.427 10 residues pruned to eliminate duplicates Z: 6 4.298 1.841 0.823 0.304 0.600 0.400 CB 1.188 6 residues pruned to eliminate duplicates Z: 14 10.229 1.896 0.526 0.551 0.846 0.615 CB 1.103 Z: 9 4.667 1.536 -0.005 0.547 0.875 0.500 N 1.179 9 residues pruned to eliminate duplicates Z: 6 2.985 1.806 0.106 0.291 0.800 0.400 CA 1.056 6 residues pruned to eliminate duplicates Z: 17 25.543 2.182 0.497 0.773 1.000 0.938 CB 1.537 17 residues pruned to eliminate duplicates Z: 6 3.485 1.505 0.072 0.457 0.800 0.600 N 1.262 Z: 32 18.527 2.028 0.211 0.480 0.935 0.613 CB 1.478 32 residues pruned to eliminate duplicates Z: 8 6.501 1.472 0.760 0.468 0.857 0.429 CA 1.143 Z: 7 9.726 1.869 0.205 0.666 1.000 0.500 C 1.513 8 residues pruned to eliminate duplicates Z: 18 20.582 2.073 0.576 0.925 1.000 0.941 CA 1.072 18 residues pruned to eliminate duplicates Z: 14 11.110 1.815 0.344 0.663 0.923 0.692 CB 1.176 14 residues pruned to eliminate duplicates Z: 7 13.188 2.095 0.540 0.472 1.000 0.500 C 1.717 7 residues pruned to eliminate duplicates Z: 34 23.049 2.072 0.358 0.489 0.909 0.697 CA 1.585 34 residues pruned to eliminate duplicates Z: 7 4.316 1.524 0.281 0.478 0.833 0.500 CB 1.107 Z: 11 14.901 2.227 0.403 0.820 0.900 0.300 CB 1.269 11 residues pruned to eliminate duplicates Z: 16 16.402 1.988 0.718 0.654 1.000 0.467 CB 1.074 16 residues pruned to eliminate duplicates Z: 14 13.954 2.024 0.359 0.875 0.846 0.692 CA 1.210 14 residues pruned to eliminate duplicates Z: 18 21.181 2.030 0.765 0.783 0.824 0.412 CB 1.357 15 residues pruned to eliminate duplicates Z: 7 3.917 1.672 0.000 0.389 1.000 0.500 CB 1.076 Z: 11 11.893 2.198 0.539 0.395 0.900 0.500 CB 1.380 11 residues pruned to eliminate duplicates Z: 22 27.016 2.013 0.487 0.897 1.000 0.857 CA 1.410 22 residues pruned to eliminate duplicates Z: 8 4.705 1.787 0.426 0.455 0.571 0.429 CA 1.280 8 residues pruned to eliminate duplicates Z: 12 10.042 2.103 0.139 0.472 0.909 0.727 CA 1.430 12 residues pruned to eliminate duplicates Z: 15 9.785 1.747 0.395 0.506 0.857 0.571 CB 1.244 15 residues pruned to eliminate duplicates Z: 7 5.299 1.637 0.323 0.423 0.833 0.333 CB 1.299 7 residues pruned to eliminate duplicates Z: 10 8.209 2.175 0.076 0.785 0.778 0.778 CB 1.169 10 residues pruned to eliminate duplicates Z: 12 13.558 2.170 0.222 0.637 0.909 0.818 CA 1.492 12 residues pruned to eliminate duplicates Z: 12 6.942 1.559 0.504 0.380 0.818 0.455 N 1.239 Z: 34 15.399 2.072 0.249 0.359 0.818 0.455 CB 1.474 34 residues pruned to eliminate duplicates Z: 11 7.820 1.832 0.203 0.540 0.800 0.700 CB 1.348 11 residues pruned to eliminate duplicates Z: 13 14.153 2.075 0.412 0.589 0.833 0.667 CB 1.535 12 residues pruned to eliminate duplicates Z: 12 10.138 2.095 0.495 0.435 0.818 0.545 CA 1.275 16 residues pruned to eliminate duplicates Z: 19 11.189 2.032 0.125 0.484 0.833 0.611 CA 1.406 19 residues pruned to eliminate duplicates Z: 9 6.536 1.946 -0.171 0.722 0.875 0.625 C 1.340 8 residues pruned to eliminate duplicates Z: 6 3.382 1.382 0.943 0.522 0.800 0.400 CB 0.689 Z: 9 3.120 1.499 0.032 0.468 0.875 0.375 CB 0.842 Z: 11 13.992 1.930 0.450 0.642 0.900 0.700 CA 1.538 21 residues pruned to eliminate duplicates Z: 15 12.244 1.876 0.278 0.474 0.929 0.500 CA 1.509 15 residues pruned to eliminate duplicates Z: 15 14.513 2.200 0.212 0.498 0.929 0.714 CA 1.569 15 residues pruned to eliminate duplicates Z: 11 10.447 1.741 0.559 0.602 0.900 0.600 CB 1.227 11 residues pruned to eliminate duplicates Z: 8 3.926 1.594 0.572 0.517 0.571 0.571 C 1.019 Z: 7 4.616 1.506 0.615 0.501 0.833 0.500 CB 0.929 7 residues pruned to eliminate duplicates Z: 11 10.769 1.880 0.319 0.842 0.800 0.500 CA 1.279 11 residues pruned to eliminate duplicates Z: 41 35.815 2.203 0.524 0.612 0.950 0.725 CA 1.598 41 residues pruned to eliminate duplicates Z: 11 14.657 1.831 0.431 0.826 1.000 0.800 CA 1.334 11 residues pruned to eliminate duplicates Z: 11 12.436 2.002 0.231 0.684 1.000 0.700 CA 1.347 11 residues pruned to eliminate duplicates Z: 7 7.746 1.632 0.557 0.804 1.000 0.833 CB 0.954 7 residues pruned to eliminate duplicates Z: 19 22.553 1.943 0.375 0.898 0.944 0.667 CA 1.507 19 residues pruned to eliminate duplicates Z: 8 5.371 1.777 0.298 0.406 1.000 0.571 CB 0.971 8 residues pruned to eliminate duplicates Z: 27 19.775 2.249 0.497 0.326 0.923 0.423 CA 1.510 28 residues pruned to eliminate duplicates Z: 7 8.116 2.030 0.527 0.336 0.833 0.333 CB 1.533 7 residues pruned to eliminate duplicates Z: 7 3.758 1.720 -0.076 0.512 0.833 0.500 CB 1.145 Z: 8 5.908 1.654 0.299 0.562 0.714 0.714 C 1.370 8 residues pruned to eliminate duplicates Z: 9 2.815 1.490 0.375 0.341 0.625 0.375 CB 0.924 Z: 15 5.288 1.734 0.460 0.248 0.714 0.286 CB 1.045 15 residues pruned to eliminate duplicates Z: 19 20.683 2.006 0.787 0.587 0.944 0.778 CA 1.324 17 residues pruned to eliminate duplicates Z: 33 30.835 1.982 0.591 0.728 0.969 0.688 CB 1.453 31 residues pruned to eliminate duplicates Z: 14 9.922 1.832 0.286 0.550 0.769 0.615 CA 1.446 13 residues pruned to eliminate duplicates Z: 8 15.219 1.957 0.627 0.836 1.000 0.714 CA 1.352 8 residues pruned to eliminate duplicates Z: 35 13.476 1.969 0.197 0.459 0.765 0.529 CB 1.338 35 residues pruned to eliminate duplicates Z: 7 11.157 2.116 0.321 0.821 1.000 0.833 CB 1.233 7 residues pruned to eliminate duplicates Z: 9 6.417 1.918 0.323 0.457 0.750 0.625 CB 1.246 9 residues pruned to eliminate duplicates Z: 12 4.052 1.601 0.975 0.703 0.818 0.727 CB 0.393 Z: 6 3.047 1.538 0.335 0.300 0.800 0.600 CA 1.037 Z: 15 14.605 2.092 0.270 0.480 0.929 0.571 CB 1.615 15 residues pruned to eliminate duplicates Z: 28 15.363 2.102 0.239 0.380 0.852 0.444 CB 1.513 28 residues pruned to eliminate duplicates Z: 15 15.237 2.032 0.554 0.528 0.929 0.643 CA 1.351 15 residues pruned to eliminate duplicates Z: 14 6.355 1.799 0.319 0.390 0.692 0.462 CB 1.205 13 residues pruned to eliminate duplicates Z: 6 4.001 1.420 0.196 0.427 1.000 0.600 CA 1.137 Z: 22 25.057 2.021 0.365 0.850 1.000 0.762 CA 1.468 22 residues pruned to eliminate duplicates Z: 6 8.181 1.650 0.878 0.396 1.000 0.600 N 1.318 Z: 9 5.029 1.961 0.282 0.430 0.625 0.500 CA 1.216 9 residues pruned to eliminate duplicates Z: 10 4.996 1.556 0.550 0.421 0.667 0.667 C 1.125 Z: 6 2.796 1.525 0.478 0.279 0.600 0.600 C 1.187 Z: 11 11.133 1.959 0.365 0.459 1.000 0.600 CB 1.373 10 residues pruned to eliminate duplicates 8 1.919 1.372 0.125 0.236 0.857 0.714 CB 0.745 ? Z: 20 32.876 2.182 0.816 0.915 1.000 0.789 CB 1.345 20 residues pruned to eliminate duplicates Z: 8 4.547 1.491 0.301 0.513 1.000 0.571 CB 0.874 10 residues pruned to eliminate duplicates Z: 6 2.261 1.363 0.540 0.288 0.600 0.400 C 1.019 Z: 44 29.928 1.974 0.552 0.621 0.907 0.674 CB 1.465 40 residues pruned to eliminate duplicates Z: 10 4.561 1.827 0.458 0.502 0.667 0.444 CB 0.854 8 residues pruned to eliminate duplicates Z: 7 10.536 1.980 0.188 0.687 1.000 1.000 CA 1.540 7 residues pruned to eliminate duplicates Z: 29 13.245 1.921 0.227 0.378 0.857 0.536 CA 1.411 29 residues pruned to eliminate duplicates Z: 6 2.107 1.426 0.585 0.560 0.800 0.400 CB 0.492 Z: 13 8.468 1.926 0.132 0.428 0.833 0.583 CB 1.450 13 residues pruned to eliminate duplicates Z: 6 3.179 1.811 0.463 0.365 0.600 0.600 CB 1.035 6 residues pruned to eliminate duplicates Z: 28 21.131 2.195 0.534 0.337 0.926 0.630 CA 1.559 28 residues pruned to eliminate duplicates Z: 8 2.468 1.452 0.471 0.271 0.571 0.571 CB 0.992 Z: 9 8.834 1.835 0.168 0.637 1.000 0.750 CA 1.281 9 residues pruned to eliminate duplicates Z: 16 12.377 2.212 0.202 0.380 0.867 0.467 CA 1.577 16 residues pruned to eliminate duplicates Z: 47 24.384 1.952 0.534 0.555 0.870 0.478 CA 1.308 47 residues pruned to eliminate duplicates Z: 19 24.509 2.023 0.819 0.900 1.000 0.722 CA 1.121 19 residues pruned to eliminate duplicates Z: 9 8.029 1.952 -0.038 0.742 0.875 0.750 C 1.390 8 residues pruned to eliminate duplicates Z: 24 14.965 2.095 0.265 0.350 0.870 0.565 CA 1.592 24 residues pruned to eliminate duplicates Z: 9 13.956 2.089 0.454 0.634 0.875 0.625 CA 1.638 9 residues pruned to eliminate duplicates Z: 22 36.205 2.065 0.717 0.899 1.000 0.571 CA 1.592 22 residues pruned to eliminate duplicates Z: 6 2.574 1.660 -0.132 0.245 1.000 0.600 N 1.072 Z: 6 4.153 1.638 -0.005 0.656 1.000 0.600 N 0.986 6 residues pruned to eliminate duplicates Z: 16 12.149 2.066 0.249 0.476 0.933 0.533 CA 1.335 16 residues pruned to eliminate duplicates Z: 8 7.913 1.779 0.008 0.750 1.000 0.714 O 1.334 6 residues pruned to eliminate duplicates Z: 8 2.019 1.582 0.544 0.071 0.571 0.286 CB 0.957 6 1.872 1.439 0.061 0.394 0.600 0.400 C 1.023 ? Z: 48 33.110 2.080 0.633 0.685 0.936 0.660 CA 1.283 49 residues pruned to eliminate duplicates Z: 20 11.898 2.066 0.351 0.359 0.895 0.368 CA 1.272 20 residues pruned to eliminate duplicates Z: 26 10.118 1.862 0.100 0.342 0.800 0.600 CB 1.466 26 residues pruned to eliminate duplicates Z: 17 17.784 2.001 0.498 0.643 0.938 0.500 CA 1.385 17 residues pruned to eliminate duplicates 6 0.214 1.506 0.640 0.453 0.600 0.400 CB 0.068 ? Z: 27 23.015 2.177 0.573 0.383 0.923 0.500 CB 1.618 26 residues pruned to eliminate duplicates Z: 13 10.838 1.932 -0.046 0.837 0.917 0.667 CB 1.385 13 residues pruned to eliminate duplicates Z: 12 11.363 2.181 0.348 0.347 0.909 0.455 CA 1.513 14 residues pruned to eliminate duplicates Z: 10 13.615 1.755 0.601 0.762 1.000 0.667 CA 1.280 10 residues pruned to eliminate duplicates Z: 15 19.347 1.927 0.660 0.904 1.000 0.857 CA 1.151 15 residues pruned to eliminate duplicates Z: 6 3.505 1.572 0.203 0.477 0.800 0.800 CB 1.060 Z: 18 10.550 1.958 0.422 0.353 0.765 0.294 CB 1.409 18 residues pruned to eliminate duplicates Z: 15 16.645 2.027 0.560 0.550 0.929 0.786 CA 1.443 15 residues pruned to eliminate duplicates Z: 16 9.960 1.883 0.282 0.406 0.867 0.400 CA 1.357 16 residues pruned to eliminate duplicates Z: 7 2.958 1.555 0.204 0.319 0.667 0.500 N 1.181 Z: 11 12.997 1.885 0.724 0.567 0.900 0.600 CA 1.317 11 residues pruned to eliminate duplicates Z: 11 12.713 2.241 0.274 0.856 0.800 0.800 CB 1.298 11 residues pruned to eliminate duplicates Z: 11 14.238 2.148 0.525 0.554 0.900 0.600 CA 1.449 11 residues pruned to eliminate duplicates 6 1.271 1.629 -0.026 0.181 0.800 0.800 CB 0.658 ? Z: 10 12.146 2.157 -0.024 0.794 1.000 0.667 CA 1.486 10 residues pruned to eliminate duplicates Z: 8 7.988 1.935 0.254 0.685 0.857 0.857 CA 1.226 8 residues pruned to eliminate duplicates 7 1.578 1.623 0.031 0.488 0.833 0.833 CB 0.468 ? 7 1.511 1.310 0.621 0.256 0.667 0.500 CB 0.577 ? Z: 12 12.293 2.072 0.353 0.620 1.000 0.909 CB 1.181 12 residues pruned to eliminate duplicates Z: 17 18.420 2.004 0.821 0.859 0.812 0.625 CA 1.143 17 residues pruned to eliminate duplicates Z: 11 4.953 1.510 0.209 0.459 0.800 0.600 CB 1.118 6 residues pruned to eliminate duplicates Z: 8 3.627 1.647 0.380 0.189 0.714 0.571 CA 1.226 8 residues pruned to eliminate duplicates Z: 6 4.470 1.531 0.136 0.650 1.000 0.800 CB 0.999 Z: 7 2.612 1.533 0.455 0.328 0.667 0.500 N 0.867 Z: 9 6.571 1.856 0.435 0.522 0.750 0.375 CB 1.138 9 residues pruned to eliminate duplicates 9 1.929 1.221 0.425 0.184 0.625 0.375 CA 0.916 ? Z: 14 10.577 1.950 0.404 0.420 0.923 0.769 CA 1.262 14 residues pruned to eliminate duplicates Z: 10 28.324 2.286 0.943 0.863 0.889 0.556 CB 1.755 10 residues pruned to eliminate duplicates Z: 15 5.915 1.566 0.449 0.280 0.786 0.357 N 1.138 24 residues pruned to eliminate duplicates Z: 17 12.849 1.917 0.626 0.502 0.875 0.688 CB 1.175 17 residues pruned to eliminate duplicates Z: 12 7.528 1.867 0.162 0.392 0.909 0.636 CB 1.290 13 residues pruned to eliminate duplicates Z: 14 6.483 1.821 0.267 0.438 0.769 0.615 CB 1.081 14 residues pruned to eliminate duplicates 6 1.905 1.474 0.272 0.650 0.800 0.800 CB 0.494 ? Z: 9 3.961 1.552 0.438 0.293 1.000 0.375 CB 0.792 9 residues pruned to eliminate duplicates Z: 8 2.135 1.479 0.403 0.240 0.571 0.429 CB 0.919 8 residues pruned to eliminate duplicates Z: 22 34.755 2.027 0.747 0.905 1.000 0.762 CA 1.524 22 residues pruned to eliminate duplicates Z: 9 3.402 1.360 0.271 0.541 0.750 0.750 CB 0.891 Z: 16 22.601 2.250 0.631 0.741 0.867 0.467 CB 1.479 16 residues pruned to eliminate duplicates Z: 7 5.362 1.744 -0.018 0.585 1.000 0.667 N 1.179 Z: 10 8.896 1.988 0.275 0.507 0.889 0.444 CA 1.308 10 residues pruned to eliminate duplicates Z: 15 15.776 2.048 0.532 0.503 0.929 0.786 CA 1.443 15 residues pruned to eliminate duplicates Z: 8 3.485 1.657 0.360 0.445 0.714 0.714 CB 0.866 8 residues pruned to eliminate duplicates Z: 18 11.285 1.779 0.379 0.480 0.882 0.647 CA 1.291 18 residues pruned to eliminate duplicates Z: 13 6.997 1.587 0.424 0.404 0.833 0.500 CA 1.186 13 residues pruned to eliminate duplicates Z: 11 6.840 1.894 0.209 0.257 0.900 0.400 CA 1.387 11 residues pruned to eliminate duplicates Z: 14 11.333 2.037 0.322 0.435 0.846 0.462 CB 1.475 14 residues pruned to eliminate duplicates Z: 7 6.517 1.717 0.388 0.612 1.000 0.667 CA 1.004 7 residues pruned to eliminate duplicates Z: 12 8.792 1.900 0.479 0.389 0.818 0.636 CA 1.298 12 residues pruned to eliminate duplicates Z: 23 17.752 2.062 0.553 0.637 0.864 0.545 CA 1.203 23 residues pruned to eliminate duplicates Z: 6 2.845 1.787 -0.077 0.379 0.800 0.600 CB 1.097 8 1.263 1.479 -0.045 0.309 0.714 0.429 CB 0.585 ? Z: 22 22.297 1.948 0.390 0.823 0.905 0.714 CA 1.501 22 residues pruned to eliminate duplicates Z: 6 3.968 1.653 0.438 0.466 0.600 0.600 CB 1.287 Z: 20 8.101 1.755 0.385 0.307 0.789 0.368 CB 1.201 20 residues pruned to eliminate duplicates Z: 6 2.611 1.514 -0.110 0.568 0.800 0.600 N 1.014 Z: 10 16.180 2.060 0.297 0.767 1.000 0.889 CA 1.594 10 residues pruned to eliminate duplicates Z: 6 2.177 1.303 0.260 0.565 0.800 0.600 C 0.696 6 residues pruned to eliminate duplicates Z: 7 4.202 1.453 0.485 0.471 0.833 0.500 CB 0.983 Z: 6 5.182 1.847 0.639 0.365 0.800 0.600 CB 1.106 6 residues pruned to eliminate duplicates Z: 13 8.296 1.948 0.178 0.475 1.000 0.583 CB 1.070 13 residues pruned to eliminate duplicates Z: 6 5.064 1.765 0.182 0.556 0.800 0.600 CA 1.285 Z: 13 13.567 1.976 0.599 0.461 0.917 0.667 CA 1.408 13 residues pruned to eliminate duplicates 6 1.966 1.457 -0.038 0.490 0.800 0.400 C 0.792 ? 6 1.465 1.443 0.276 0.454 0.800 0.600 CB 0.466 ? Z: 14 6.003 1.759 0.256 0.255 0.769 0.385 CA 1.297 14 residues pruned to eliminate duplicates Z: 16 16.627 1.874 0.864 0.818 0.800 0.467 CA 1.166 16 residues pruned to eliminate duplicates Z: 8 9.837 1.917 0.698 0.486 0.857 0.571 CA 1.351 8 residues pruned to eliminate duplicates Z: 18 11.947 1.960 0.507 0.427 0.706 0.353 CB 1.500 18 residues pruned to eliminate duplicates Z: 7 3.428 1.232 0.598 0.606 1.000 0.500 CB 0.643 Z: 21 9.992 1.826 0.610 0.168 0.800 0.550 CA 1.422 21 residues pruned to eliminate duplicates Z: 8 3.144 1.586 -0.106 0.390 0.714 0.571 CA 1.319 Z: 42 27.488 1.972 0.334 0.594 0.951 0.659 CA 1.568 42 residues pruned to eliminate duplicates Z: 16 13.053 2.109 0.410 0.508 1.000 0.733 CA 1.124 16 residues pruned to eliminate duplicates Z: 11 15.230 1.987 0.534 0.565 0.900 0.600 CA 1.648 11 residues pruned to eliminate duplicates Z: 10 16.004 2.135 0.448 0.853 1.000 0.333 CB 1.275 10 residues pruned to eliminate duplicates Z: 28 18.132 2.165 0.550 0.321 0.852 0.444 CA 1.487 28 residues pruned to eliminate duplicates 8 1.803 1.377 0.244 0.226 0.571 0.286 N 0.959 ? Z: 17 7.711 1.854 0.333 0.246 0.812 0.438 CB 1.287 17 residues pruned to eliminate duplicates Z: 41 19.079 1.983 0.337 0.376 0.900 0.550 CA 1.442 41 residues pruned to eliminate duplicates Z: 16 7.171 1.900 0.160 0.341 0.800 0.400 CB 1.249 22 residues pruned to eliminate duplicates Z: 8 3.221 1.379 0.579 0.214 0.857 0.429 O 0.914 Z: 8 3.061 1.423 0.364 0.326 0.714 0.429 CB 1.011 Z: 14 8.080 1.841 0.269 0.336 0.923 0.462 CA 1.244 14 residues pruned to eliminate duplicates Z: 7 3.937 1.423 0.246 0.420 1.000 0.500 CA 0.986 7 1.333 1.602 0.469 0.225 0.667 0.667 CB 0.478 ? Z: 21 19.642 2.052 0.605 0.518 0.950 0.500 CA 1.379 21 residues pruned to eliminate duplicates Z: 27 24.156 2.043 0.609 0.548 0.923 0.577 CA 1.489 27 residues pruned to eliminate duplicates 6 1.782 0.997 0.311 0.369 1.000 0.600 C 0.702 ? Z: 9 2.264 1.599 -0.028 0.215 0.625 0.375 CB 1.153 Z: 7 4.543 1.712 0.062 0.576 1.000 0.833 CB 0.948 Z: 8 4.184 1.616 0.090 0.569 0.857 0.429 O 0.980 Z: 6 3.172 1.472 0.298 0.698 1.000 0.600 CA 0.619 Z: 20 25.554 1.991 0.515 0.855 0.947 0.526 CA 1.514 20 residues pruned to eliminate duplicates Z: 10 12.167 2.178 0.424 0.661 0.778 0.444 CA 1.448 10 residues pruned to eliminate duplicates Z: 10 4.698 1.573 0.210 0.335 0.778 0.222 CA 1.267 7 1.693 1.706 -0.219 0.249 0.667 0.500 CB 1.040 ? Z: 12 10.408 1.690 0.569 0.669 0.818 0.545 N 1.238 12 residues pruned to eliminate duplicates 6 1.754 1.290 0.248 0.259 0.800 0.200 O 0.803 ? Z: 6 6.999 1.750 0.154 0.795 1.000 0.800 CA 1.197 6 residues pruned to eliminate duplicates Z: 6 4.437 1.374 0.548 0.619 1.000 0.400 CA 0.834 6 residues pruned to eliminate duplicates Z: 13 3.449 1.423 0.304 0.431 0.667 0.417 CB 0.864 6 residues pruned to eliminate duplicates Z: 10 2.583 1.520 0.131 0.261 0.667 0.333 CB 0.987 6 residues pruned to eliminate duplicates Z: 18 7.305 1.724 0.378 0.408 0.824 0.588 CB 0.997 18 residues pruned to eliminate duplicates 6 1.310 1.184 0.126 0.370 0.800 0.600 N 0.632 ? Z: 15 11.563 1.899 0.287 0.577 0.929 0.571 CB 1.264 13 residues pruned to eliminate duplicates Z: 27 10.713 1.797 0.208 0.282 0.885 0.462 CB 1.398 27 residues pruned to eliminate duplicates Z: 13 17.435 2.055 0.267 0.808 1.000 0.833 CA 1.477 13 residues pruned to eliminate duplicates Z: 6 2.302 1.494 -0.226 0.719 0.800 0.800 CB 0.912 Z: 11 19.621 2.066 0.627 0.626 1.000 0.800 N 1.640 11 residues pruned to eliminate duplicates 6 1.303 1.444 0.320 0.292 0.800 0.800 CB 0.482 ? Z: 68 37.225 2.167 0.443 0.582 0.925 0.597 CB 1.454 68 residues pruned to eliminate duplicates Z: 8 3.053 1.491 0.610 0.293 0.714 0.571 CB 0.849 Z: 6 3.630 1.794 0.234 0.693 0.800 0.800 CB 0.769 Z: 13 8.028 1.996 0.201 0.370 0.917 0.667 CB 1.212 10 residues pruned to eliminate duplicates Z: 13 6.951 1.588 0.422 0.396 0.750 0.500 CB 1.321 Z: 7 3.150 1.380 -0.007 0.633 0.667 0.667 CB 1.243 7 residues pruned to eliminate duplicates Z: 16 18.574 2.150 0.549 0.756 0.933 0.533 CB 1.229 16 residues pruned to eliminate duplicates Z: 8 3.615 1.474 0.386 0.323 0.714 0.286 CA 1.138 9 residues pruned to eliminate duplicates Z: 10 6.507 1.736 0.171 0.461 0.778 0.444 N 1.428 10 residues pruned to eliminate duplicates Z: 21 27.182 1.951 0.601 0.904 0.950 0.700 CA 1.458 21 residues pruned to eliminate duplicates Z: 23 12.827 1.963 0.561 0.337 0.727 0.545 CA 1.466 23 residues pruned to eliminate duplicates Z: 11 11.260 2.030 0.016 0.733 1.000 0.900 CB 1.401 11 residues pruned to eliminate duplicates Z: 24 9.583 2.034 0.213 0.357 0.739 0.304 CB 1.279 24 residues pruned to eliminate duplicates Z: 46 22.040 1.989 0.471 0.563 0.911 0.689 CA 1.160 46 residues pruned to eliminate duplicates Z: 6 2.469 1.447 0.114 0.338 1.000 0.600 CB 0.818 Z: 24 16.078 2.232 0.441 0.314 0.826 0.435 CA 1.549 24 residues pruned to eliminate duplicates Z: 23 20.306 2.204 0.718 0.245 0.909 0.455 CA 1.688 23 residues pruned to eliminate duplicates Z: 7 4.806 1.461 0.184 0.490 1.000 0.667 CA 1.146 7 residues pruned to eliminate duplicates Z: 14 6.558 1.834 0.619 0.368 0.769 0.538 CA 0.918 14 residues pruned to eliminate duplicates Z: 14 9.112 1.870 0.428 0.419 0.846 0.462 CB 1.218 14 residues pruned to eliminate duplicates Z: 10 19.395 2.105 1.213 0.760 0.778 0.333 CB 1.416 10 residues pruned to eliminate duplicates Z: 8 6.276 1.729 0.465 0.448 0.857 0.714 CB 1.153 8 residues pruned to eliminate duplicates Z: 17 8.186 1.578 0.601 0.326 0.812 0.562 CB 1.208 17 residues pruned to eliminate duplicates Z: 17 27.713 1.925 0.791 0.879 1.000 0.500 CB 1.457 17 residues pruned to eliminate duplicates Z: 18 13.133 1.820 0.447 0.551 0.882 0.529 CB 1.305 15 residues pruned to eliminate duplicates 7 1.904 1.393 0.473 0.228 0.667 0.167 C 0.780 ? Z: 12 2.751 1.470 0.345 0.283 0.545 0.364 CB 0.982 Z: 10 5.959 1.561 0.381 0.562 0.778 0.667 CB 1.116 7 residues pruned to eliminate duplicates Z: 16 6.289 1.420 0.487 0.297 0.800 0.467 CB 1.206 16 residues pruned to eliminate duplicates 6 0.910 1.598 -0.137 0.312 0.600 0.600 CB 0.606 ? Z: 16 34.631 2.237 0.740 0.870 1.000 0.733 CA 1.676 16 residues pruned to eliminate duplicates Z: 6 9.432 2.256 0.427 0.482 0.800 0.800 CB 1.668 6 residues pruned to eliminate duplicates Z: 6 3.444 1.480 0.534 0.501 0.800 0.600 CA 0.846 Z: 13 5.715 1.577 0.290 0.436 0.833 0.583 CB 1.040 13 residues pruned to eliminate duplicates 10 1.963 1.236 0.416 0.180 0.889 0.444 CB 0.619 ? Z: 18 27.871 2.063 0.799 0.938 1.000 0.647 CA 1.267 18 residues pruned to eliminate duplicates Z: 20 15.482 2.015 0.387 0.471 0.895 0.579 CA 1.464 20 residues pruned to eliminate duplicates Z: 7 6.273 1.462 0.313 0.698 1.000 0.833 N 1.114 Z: 10 15.088 2.121 0.384 0.565 1.000 0.889 CA 1.608 11 residues pruned to eliminate duplicates Z: 6 2.434 1.142 0.191 0.460 1.000 0.600 CA 0.834 Z: 22 29.567 1.984 0.477 0.867 1.000 0.571 CA 1.612 22 residues pruned to eliminate duplicates Z: 22 31.538 2.008 0.817 0.852 0.905 0.571 CA 1.541 22 residues pruned to eliminate duplicates Z: 6 4.215 1.255 0.522 0.633 1.000 0.600 CA 0.872 Z: 8 2.562 1.578 0.047 0.429 0.857 0.429 CB 0.736 3 residues pruned to eliminate duplicates Z: 8 3.006 1.368 0.221 0.384 0.857 0.571 CB 0.898 6 1.804 1.068 0.468 0.596 1.000 0.600 CB 0.470 ? Z: 19 10.524 1.651 0.435 0.534 0.833 0.667 CA 1.215 19 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 7.561 1.745 0.168 0.599 1.000 0.429 CB 1.275 8 residues pruned to eliminate duplicates Z: 7 4.540 1.870 0.298 0.613 0.667 0.667 CB 1.029 7 residues pruned to eliminate duplicates Z: 6 6.568 1.970 0.174 0.643 0.800 0.800 CA 1.389 6 residues pruned to eliminate duplicates Z: 7 8.379 1.837 0.309 0.510 1.000 0.833 CB 1.409 6 residues pruned to eliminate duplicates Z: 6 5.409 1.746 0.873 0.276 0.800 0.600 CB 1.191 5 residues pruned to eliminate duplicates Z: 7 8.865 1.929 1.138 0.526 0.833 0.500 CA 1.027 7 residues pruned to eliminate duplicates Z: 6 6.853 1.810 0.756 0.475 1.000 0.400 CB 0.989 4 residues pruned to eliminate duplicates Z: 7 8.870 1.504 0.865 0.863 1.000 0.833 N 0.947 7 residues pruned to eliminate duplicates Z: 6 3.335 1.630 -0.070 0.489 0.800 0.400 CA 1.243 6 residues pruned to eliminate duplicates Z: 8 7.990 1.722 0.200 0.789 1.000 0.857 CA 1.134 10 residues pruned to eliminate duplicates Z: 8 8.641 1.652 0.559 0.699 1.000 0.429 CA 1.058 8 residues pruned to eliminate duplicates Z: 8 6.734 1.867 0.241 0.645 1.000 0.571 CA 0.959 8 residues pruned to eliminate duplicates Z: 15 11.567 1.819 0.397 0.499 0.857 0.429 CA 1.420 15 residues pruned to eliminate duplicates Z: 6 2.988 1.379 0.422 0.273 1.000 0.600 C 0.882 6 residues pruned to eliminate duplicates Z: 22 11.180 1.801 0.632 0.307 0.810 0.286 CA 1.272 16 residues pruned to eliminate duplicates Z: 6 7.349 1.792 0.444 0.477 1.000 0.600 CB 1.299 6 residues pruned to eliminate duplicates Z: 24 6.369 1.799 0.496 0.151 0.609 0.391 CB 1.245 23 residues pruned to eliminate duplicates Z: 7 4.778 1.387 0.932 0.537 0.833 0.500 N 0.843 7 residues pruned to eliminate duplicates Z: 19 17.496 2.040 0.372 0.536 0.944 0.667 CA 1.507 18 residues pruned to eliminate duplicates Z: 7 7.680 1.596 1.093 0.382 1.000 0.667 CA 1.064 7 residues pruned to eliminate duplicates Z: 19 17.437 2.059 0.386 0.507 0.944 0.667 CA 1.514 20 residues pruned to eliminate duplicates Z: 6 6.376 1.714 0.458 0.407 1.000 0.800 CA 1.257 6 residues pruned to eliminate duplicates Z: 18 18.222 2.077 0.358 0.530 1.000 0.706 CB 1.522 17 residues pruned to eliminate duplicates Z: 6 2.730 1.775 -0.174 0.273 1.000 0.400 CA 1.078 6 residues pruned to eliminate duplicates Z: 16 12.006 1.891 0.240 0.465 0.933 0.800 CA 1.468 16 residues pruned to eliminate duplicates Z: 17 11.547 1.845 0.354 0.431 0.875 0.688 CA 1.419 17 residues pruned to eliminate duplicates Z: 11 16.023 2.115 0.511 0.528 0.900 0.800 CA 1.714 10 residues pruned to eliminate duplicates Z: 6 4.629 1.742 0.687 0.421 0.800 0.800 CA 0.956 6 residues pruned to eliminate duplicates Z: 9 18.261 2.205 0.518 0.608 1.000 0.625 CA 1.740 15 residues pruned to eliminate duplicates Z: 8 9.866 1.822 0.539 0.524 0.857 0.714 N 1.515 8 residues pruned to eliminate duplicates Z: 10 4.744 1.880 0.410 0.247 0.556 0.444 CB 1.438 10 residues pruned to eliminate duplicates Z: 10 14.849 2.087 0.569 0.553 0.889 0.556 C 1.616 10 residues pruned to eliminate duplicates Z: 6 4.206 1.641 0.092 0.404 1.000 0.400 O 1.162 6 residues pruned to eliminate duplicates Z: 10 15.580 2.065 0.559 0.577 0.889 0.556 CA 1.686 10 residues pruned to eliminate duplicates Z: 7 2.303 1.546 -0.122 0.356 0.667 0.167 N 1.213 Z: 11 6.271 1.610 0.091 0.608 1.000 0.400 CB 1.020 Z: 10 6.617 1.594 0.420 0.517 0.889 0.222 CB 1.078 10 residues pruned to eliminate duplicates Z: 12 6.835 1.815 0.357 0.373 0.727 0.182 CB 1.317 8 residues pruned to eliminate duplicates Z: 8 3.983 1.610 0.138 0.674 0.857 0.429 CB 0.817 8 residues pruned to eliminate duplicates Z: 18 7.194 1.502 0.310 0.384 1.000 0.471 CB 1.003 10 residues pruned to eliminate duplicates Z: 11 5.491 1.526 0.533 0.647 0.800 0.400 CB 0.809 11 residues pruned to eliminate duplicates Z: 9 4.672 1.557 0.131 0.418 1.000 0.750 CB 1.021 9 residues pruned to eliminate duplicates Z: 10 3.913 1.577 0.194 0.355 0.889 0.556 CB 0.911 10 residues pruned to eliminate duplicates Z: 9 4.587 1.603 0.172 0.382 0.875 0.875 CB 1.119 9 residues pruned to eliminate duplicates Z: 9 4.089 1.591 0.048 0.389 0.875 0.625 CB 1.114 9 residues pruned to eliminate duplicates Z: 17 6.983 1.656 0.196 0.377 1.000 0.750 CB 1.005 17 residues pruned to eliminate duplicates Z: 8 8.334 1.965 0.231 0.561 0.857 0.571 CA 1.432 8 residues pruned to eliminate duplicates Z: 8 7.105 1.838 0.298 0.472 1.000 0.714 CB 1.159 6 residues pruned to eliminate duplicates Z: 7 4.539 1.638 0.281 0.476 0.833 0.333 CA 1.086 7 residues pruned to eliminate duplicates Z: 7 8.835 1.992 0.343 0.494 1.000 0.333 CB 1.356 7 residues pruned to eliminate duplicates Z: 16 13.500 1.945 0.478 0.453 0.933 0.667 CA 1.363 16 residues pruned to eliminate duplicates Z: 53 27.638 1.959 0.443 0.636 0.923 0.635 CA 1.293 53 residues pruned to eliminate duplicates Z: 28 28.599 2.112 0.781 0.770 0.926 0.741 CA 1.244 28 residues pruned to eliminate duplicates Z: 17 13.371 1.924 0.257 0.749 0.875 0.625 CA 1.265 17 residues pruned to eliminate duplicates Z: 28 29.811 2.137 0.636 0.748 0.963 0.630 CA 1.366 28 residues pruned to eliminate duplicates Z: 19 26.341 2.056 0.729 0.878 0.944 0.667 CA 1.342 19 residues pruned to eliminate duplicates Z: 29 24.756 2.079 0.532 0.732 0.929 0.679 CA 1.284 29 residues pruned to eliminate duplicates Z: 84 38.464 2.045 0.471 0.619 0.928 0.566 CA 1.353 84 residues pruned to eliminate duplicates Z: 31 26.699 2.075 0.575 0.710 0.933 0.700 CA 1.320 31 residues pruned to eliminate duplicates Z: 32 25.159 2.066 0.709 0.674 0.935 0.548 CA 1.165 32 residues pruned to eliminate duplicates Z: 32 28.877 2.111 0.674 0.662 0.903 0.516 CA 1.399 32 residues pruned to eliminate duplicates Z: 42 21.264 2.002 0.499 0.555 0.902 0.512 CA 1.162 42 residues pruned to eliminate duplicates Z: 13 22.757 2.158 0.741 0.890 1.000 0.833 CA 1.259 13 residues pruned to eliminate duplicates Z: 31 29.368 2.103 0.725 0.717 0.900 0.567 CA 1.349 31 residues pruned to eliminate duplicates Z: 19 19.738 1.976 0.764 0.676 0.889 0.444 CA 1.277 19 residues pruned to eliminate duplicates Z: 33 26.051 2.054 0.685 0.665 0.938 0.469 CA 1.219 33 residues pruned to eliminate duplicates Z: 18 20.303 1.984 0.759 0.700 0.941 0.647 CA 1.249 18 residues pruned to eliminate duplicates Z: 15 13.655 1.983 0.854 0.793 1.000 0.643 CA 0.767 15 residues pruned to eliminate duplicates Z: 11 16.290 2.017 0.785 0.742 0.900 0.500 CA 1.281 11 residues pruned to eliminate duplicates Z: 28 16.796 1.950 0.602 0.526 0.852 0.556 CA 1.183 28 residues pruned to eliminate duplicates Z: 31 30.683 2.040 0.819 0.695 0.933 0.600 CA 1.354 31 residues pruned to eliminate duplicates Z: 33 22.893 2.015 0.633 0.612 0.906 0.375 CA 1.220 33 residues pruned to eliminate duplicates Z: 35 27.169 2.040 0.615 0.676 0.853 0.647 CA 1.410 35 residues pruned to eliminate duplicates Z: 18 21.560 2.042 0.804 0.762 0.941 0.647 CA 1.195 18 residues pruned to eliminate duplicates Z: 35 25.432 2.051 0.537 0.650 0.882 0.559 CA 1.363 35 residues pruned to eliminate duplicates Z: 13 7.483 1.872 0.228 0.477 0.833 0.583 CA 1.154 13 residues pruned to eliminate duplicates Z: 30 18.777 1.977 0.554 0.610 0.897 0.586 CA 1.140 30 residues pruned to eliminate duplicates Z: 28 19.586 2.016 0.553 0.673 0.926 0.519 CA 1.109 28 residues pruned to eliminate duplicates Z: 36 30.192 2.057 0.687 0.680 0.971 0.629 CA 1.283 36 residues pruned to eliminate duplicates Z: 49 30.030 2.036 0.527 0.633 0.896 0.458 CA 1.374 49 residues pruned to eliminate duplicates Z: 61 34.612 2.027 0.507 0.575 0.917 0.517 CA 1.485 61 residues pruned to eliminate duplicates Z: 12 13.582 2.010 0.576 0.558 1.000 0.545 CB 1.222 12 residues pruned to eliminate duplicates Z: 18 15.277 2.032 0.318 0.654 1.000 0.471 CB 1.200 18 residues pruned to eliminate duplicates Z: 49 29.411 2.061 0.530 0.659 0.875 0.562 CA 1.328 49 residues pruned to eliminate duplicates Z: 14 14.008 2.168 0.179 0.658 0.923 0.385 CB 1.422 14 residues pruned to eliminate duplicates Z: 19 13.529 1.990 0.337 0.566 0.833 0.556 CB 1.349 19 residues pruned to eliminate duplicates Z: 60 38.568 2.026 0.557 0.601 0.949 0.542 CA 1.523 60 residues pruned to eliminate duplicates Z: 18 17.073 2.063 0.334 0.649 1.000 0.471 CA 1.309 18 residues pruned to eliminate duplicates Z: 22 14.436 1.856 0.510 0.502 0.905 0.381 CA 1.240 22 residues pruned to eliminate duplicates Z: 16 18.660 2.119 0.443 0.637 1.000 0.533 CA 1.386 16 residues pruned to eliminate duplicates Z: 18 17.081 2.069 0.401 0.626 0.941 0.412 CA 1.349 18 residues pruned to eliminate duplicates Z: 55 36.496 2.040 0.587 0.617 0.926 0.537 CA 1.484 55 residues pruned to eliminate duplicates Z: 47 26.083 1.967 0.434 0.530 0.913 0.543 CA 1.450 47 residues pruned to eliminate duplicates Z: 42 32.494 2.026 0.601 0.579 0.902 0.610 CB 1.608 42 residues pruned to eliminate duplicates Z: 33 26.606 2.024 0.515 0.586 0.938 0.594 CA 1.507 33 residues pruned to eliminate duplicates Z: 43 29.800 2.016 0.538 0.583 0.905 0.595 CA 1.513 44 residues pruned to eliminate duplicates Z: 45 29.586 1.962 0.611 0.581 0.932 0.545 CA 1.401 45 residues pruned to eliminate duplicates Z: 41 26.296 1.975 0.545 0.547 0.900 0.575 CA 1.446 41 residues pruned to eliminate duplicates Z: 29 29.196 2.073 0.589 0.630 0.964 0.679 CA 1.536 29 residues pruned to eliminate duplicates Z: 33 29.645 2.079 0.467 0.612 1.000 0.500 CA 1.545 33 residues pruned to eliminate duplicates Z: 43 28.122 2.015 0.522 0.566 0.881 0.643 CA 1.507 43 residues pruned to eliminate duplicates Z: 39 28.402 1.981 0.497 0.599 0.947 0.526 CA 1.493 39 residues pruned to eliminate duplicates Z: 36 26.631 2.004 0.501 0.635 0.914 0.686 CA 1.442 36 residues pruned to eliminate duplicates Z: 32 25.524 2.057 0.463 0.614 0.935 0.742 CA 1.462 32 residues pruned to eliminate duplicates Z: 30 25.006 2.093 0.555 0.611 0.897 0.586 CA 1.432 30 residues pruned to eliminate duplicates Z: 44 32.076 1.949 0.655 0.612 0.977 0.698 CA 1.396 44 residues pruned to eliminate duplicates Z: 37 25.294 1.987 0.509 0.588 0.889 0.583 CA 1.454 37 residues pruned to eliminate duplicates Z: 30 30.462 2.019 0.570 0.681 0.966 0.724 CA 1.565 30 residues pruned to eliminate duplicates Z: 33 24.546 2.044 0.435 0.593 0.938 0.562 CA 1.444 33 residues pruned to eliminate duplicates Z: 41 29.699 2.011 0.629 0.590 0.900 0.675 CA 1.462 41 residues pruned to eliminate duplicates Z: 32 28.348 2.073 0.703 0.613 0.903 0.710 CA 1.434 32 residues pruned to eliminate duplicates Z: 42 34.061 2.046 0.552 0.593 0.951 0.512 CA 1.612 42 residues pruned to eliminate duplicates Z: 44 30.281 1.948 0.719 0.596 0.860 0.581 CA 1.462 44 residues pruned to eliminate duplicates Z: 32 28.252 2.052 0.775 0.602 0.871 0.677 CA 1.453 32 residues pruned to eliminate duplicates Z: 43 30.128 1.974 0.768 0.566 0.881 0.571 CA 1.417 43 residues pruned to eliminate duplicates Z: 42 33.219 2.022 0.710 0.593 0.927 0.537 CA 1.482 42 residues pruned to eliminate duplicates Z: 39 31.304 2.008 0.579 0.641 0.921 0.553 CA 1.523 39 residues pruned to eliminate duplicates Z: 32 28.187 1.974 0.636 0.621 0.903 0.581 CA 1.548 32 residues pruned to eliminate duplicates Z: 44 35.411 2.007 0.706 0.616 0.930 0.558 CB 1.520 44 residues pruned to eliminate duplicates Z: 41 31.606 2.006 0.693 0.589 0.900 0.425 CB 1.500 41 residues pruned to eliminate duplicates Z: 36 34.542 2.048 0.798 0.639 0.857 0.514 CB 1.625 36 residues pruned to eliminate duplicates Z: 31 31.493 2.063 0.743 0.652 0.933 0.467 CB 1.487 31 residues pruned to eliminate duplicates Z: 45 34.029 2.007 0.812 0.579 0.864 0.455 CA 1.514 45 residues pruned to eliminate duplicates Z: 10 7.295 1.790 0.812 0.529 0.667 0.667 CB 1.093 10 residues pruned to eliminate duplicates Z: 38 26.672 2.054 0.661 0.609 0.730 0.459 CB 1.587 38 residues pruned to eliminate duplicates Z: 40 34.947 2.052 0.782 0.611 0.872 0.487 CA 1.581 40 residues pruned to eliminate duplicates Z: 44 37.669 1.992 0.871 0.621 0.884 0.465 CA 1.557 44 residues pruned to eliminate duplicates Z: 14 14.960 1.804 0.804 0.497 0.846 0.462 CB 1.511 14 residues pruned to eliminate duplicates Z: 42 38.776 2.062 0.722 0.630 0.951 0.439 CB 1.587 42 residues pruned to eliminate duplicates Z: 43 30.780 1.998 0.680 0.584 0.881 0.452 CB 1.481 43 residues pruned to eliminate duplicates Z: 6 4.215 1.788 0.520 0.255 0.800 0.400 CB 1.149 6 residues pruned to eliminate duplicates Z: 17 9.042 1.856 0.819 0.403 0.562 0.312 CB 1.319 17 residues pruned to eliminate duplicates Z: 9 5.099 1.708 0.444 0.283 0.875 0.375 CB 1.067 9 residues pruned to eliminate duplicates Z: 10 10.945 1.999 0.468 0.414 0.889 0.556 CA 1.530 11 residues pruned to eliminate duplicates Z: 6 4.944 1.705 0.456 0.447 0.800 0.800 CA 1.175 12 residues pruned to eliminate duplicates Z: 8 7.928 1.798 0.485 0.471 1.000 0.571 CB 1.156 6 residues pruned to eliminate duplicates Z: 6 4.251 1.554 0.644 0.347 0.800 0.400 C 1.097 6 residues pruned to eliminate duplicates Z: 24 16.990 2.329 0.453 0.277 0.870 0.304 CA 1.549 24 residues pruned to eliminate duplicates Z: 27 21.099 2.264 0.467 0.311 0.962 0.462 CA 1.598 27 residues pruned to eliminate duplicates Z: 8 7.997 1.889 0.493 0.487 0.857 0.571 CA 1.267 8 residues pruned to eliminate duplicates Z: 22 19.373 2.328 0.613 0.264 0.952 0.524 CA 1.546 22 residues pruned to eliminate duplicates Z: 28 20.541 2.225 0.579 0.313 0.926 0.444 CA 1.495 27 residues pruned to eliminate duplicates Z: 8 4.494 1.635 0.532 0.393 0.714 0.286 CB 1.064 8 residues pruned to eliminate duplicates Z: 17 12.691 2.150 0.529 0.348 0.812 0.438 CA 1.401 17 residues pruned to eliminate duplicates Z: 29 18.335 2.149 0.484 0.302 0.893 0.500 CA 1.517 29 residues pruned to eliminate duplicates Z: 31 21.386 2.177 0.561 0.362 0.900 0.600 CA 1.481 31 residues pruned to eliminate duplicates Z: 28 19.416 2.236 0.465 0.327 0.926 0.519 CA 1.489 28 residues pruned to eliminate duplicates Z: 36 18.205 2.181 0.352 0.317 0.857 0.486 CA 1.490 36 residues pruned to eliminate duplicates Z: 30 17.794 2.166 0.436 0.294 0.931 0.448 CA 1.437 30 residues pruned to eliminate duplicates Z: 29 16.520 2.174 0.441 0.282 0.857 0.500 CA 1.487 29 residues pruned to eliminate duplicates Z: 28 21.160 2.219 0.527 0.348 0.926 0.370 CA 1.531 28 residues pruned to eliminate duplicates Z: 55 26.345 2.167 0.368 0.334 0.907 0.444 CB 1.597 55 residues pruned to eliminate duplicates Z: 10 8.765 1.898 0.413 0.376 0.889 0.667 CA 1.399 10 residues pruned to eliminate duplicates Z: 15 7.150 2.202 0.198 0.333 0.643 0.429 CA 1.352 15 residues pruned to eliminate duplicates Z: 23 18.854 2.286 0.611 0.338 0.864 0.591 CA 1.508 23 residues pruned to eliminate duplicates Z: 28 18.198 2.230 0.423 0.306 0.926 0.407 CA 1.478 28 residues pruned to eliminate duplicates Z: 51 23.255 2.177 0.357 0.322 0.900 0.460 CA 1.506 51 residues pruned to eliminate duplicates Z: 57 24.815 2.166 0.412 0.330 0.875 0.482 CB 1.493 58 residues pruned to eliminate duplicates Z: 6 4.736 1.767 0.377 0.420 0.800 0.200 CA 1.184 6 residues pruned to eliminate duplicates Z: 28 16.227 2.178 0.310 0.346 0.852 0.519 CB 1.519 28 residues pruned to eliminate duplicates Z: 29 15.569 2.118 0.295 0.306 0.857 0.393 CB 1.552 29 residues pruned to eliminate duplicates Z: 13 10.188 1.987 0.441 0.343 0.833 0.167 CB 1.462 13 residues pruned to eliminate duplicates Z: 30 16.164 2.111 0.325 0.337 0.828 0.414 CB 1.549 30 residues pruned to eliminate duplicates Z: 27 17.438 2.160 0.283 0.379 0.923 0.615 CB 1.521 27 residues pruned to eliminate duplicates Z: 36 17.494 2.093 0.284 0.329 0.857 0.571 CB 1.549 36 residues pruned to eliminate duplicates Z: 22 11.508 2.031 0.419 0.275 0.810 0.333 CB 1.388 22 residues pruned to eliminate duplicates Z: 24 11.420 2.085 0.169 0.332 0.826 0.435 CB 1.422 24 residues pruned to eliminate duplicates Z: 61 24.514 2.103 0.414 0.308 0.867 0.367 CA 1.520 61 residues pruned to eliminate duplicates Z: 35 15.581 2.092 0.342 0.305 0.824 0.412 CB 1.434 35 residues pruned to eliminate duplicates Z: 10 6.385 2.093 0.098 0.328 0.778 0.333 CB 1.439 10 residues pruned to eliminate duplicates Z: 36 17.840 2.087 0.345 0.355 0.829 0.457 CB 1.518 36 residues pruned to eliminate duplicates Z: 37 17.637 2.070 0.272 0.367 0.889 0.417 CB 1.448 37 residues pruned to eliminate duplicates Z: 64 26.497 2.152 0.403 0.301 0.889 0.413 CB 1.552 63 residues pruned to eliminate duplicates Z: 17 28.772 2.360 0.352 0.795 1.000 0.688 CA 1.741 17 residues pruned to eliminate duplicates Z: 63 37.145 2.226 0.395 0.569 0.919 0.581 CB 1.545 63 residues pruned to eliminate duplicates Z: 37 35.758 2.280 0.484 0.626 0.972 0.611 CB 1.608 37 residues pruned to eliminate duplicates Z: 38 37.754 2.248 0.591 0.657 0.946 0.541 CB 1.585 38 residues pruned to eliminate duplicates Z: 40 33.891 2.215 0.524 0.593 0.974 0.564 CB 1.510 40 residues pruned to eliminate duplicates Z: 46 35.674 2.195 0.407 0.658 0.933 0.489 CB 1.592 46 residues pruned to eliminate duplicates Z: 30 39.968 2.257 0.750 0.693 1.000 0.621 CA 1.575 30 residues pruned to eliminate duplicates Z: 64 42.573 2.263 0.495 0.589 0.952 0.571 CB 1.529 64 residues pruned to eliminate duplicates Z: 31 37.189 2.223 0.616 0.728 0.967 0.567 CA 1.592 31 residues pruned to eliminate duplicates Z: 34 32.866 2.159 0.613 0.629 0.909 0.515 CB 1.600 34 residues pruned to eliminate duplicates Z: 39 33.211 2.257 0.395 0.620 0.921 0.526 CB 1.659 39 residues pruned to eliminate duplicates Z: 29 39.100 2.276 0.636 0.700 0.964 0.500 CB 1.715 29 residues pruned to eliminate duplicates Z: 44 35.566 2.253 0.464 0.622 0.930 0.558 CB 1.575 44 residues pruned to eliminate duplicates Z: 36 35.768 2.173 0.676 0.623 0.914 0.457 CB 1.618 36 residues pruned to eliminate duplicates Z: 48 39.146 2.266 0.555 0.615 0.894 0.489 CB 1.626 48 residues pruned to eliminate duplicates Z: 44 36.236 2.212 0.518 0.659 0.907 0.581 CA 1.565 44 residues pruned to eliminate duplicates Z: 29 43.437 2.283 0.810 0.742 0.964 0.500 CA 1.659 29 residues pruned to eliminate duplicates Z: 44 43.249 2.264 0.570 0.657 0.977 0.512 CB 1.642 44 residues pruned to eliminate duplicates Z: 36 27.737 2.173 0.397 0.617 0.914 0.543 CB 1.511 36 residues pruned to eliminate duplicates Z: 43 43.385 2.295 0.587 0.659 0.952 0.524 CB 1.665 43 residues pruned to eliminate duplicates Z: 69 33.554 2.174 0.459 0.454 0.868 0.471 CB 1.550 69 residues pruned to eliminate duplicates Z: 14 8.240 2.070 0.377 0.306 0.769 0.462 CB 1.293 14 residues pruned to eliminate duplicates Z: 45 34.700 2.212 0.624 0.579 0.886 0.364 CB 1.523 45 residues pruned to eliminate duplicates Z: 37 41.119 2.270 0.746 0.628 0.917 0.639 CB 1.672 37 residues pruned to eliminate duplicates Z: 38 27.067 2.091 0.543 0.553 0.919 0.486 CB 1.425 38 residues pruned to eliminate duplicates Z: 71 45.372 2.239 0.540 0.602 0.943 0.543 CB 1.513 71 residues pruned to eliminate duplicates Z: 37 41.628 2.289 0.701 0.623 0.972 0.611 CA 1.632 37 residues pruned to eliminate duplicates Z: 15 17.138 2.304 0.263 0.579 0.929 0.643 CB 1.570 15 residues pruned to eliminate duplicates Z: 42 37.649 2.165 0.664 0.646 0.927 0.512 CB 1.536 42 residues pruned to eliminate duplicates Z: 28 19.690 2.148 0.339 0.540 0.926 0.556 CB 1.369 28 residues pruned to eliminate duplicates Z: 50 41.489 2.180 0.683 0.580 0.918 0.347 CA 1.629 50 residues pruned to eliminate duplicates Z: 55 35.330 2.140 0.493 0.575 0.907 0.481 CA 1.543 55 residues pruned to eliminate duplicates Z: 35 27.659 2.197 0.436 0.556 0.941 0.529 CB 1.514 35 residues pruned to eliminate duplicates Z: 43 42.177 2.286 0.600 0.641 0.952 0.476 CB 1.637 43 residues pruned to eliminate duplicates Z: 74 46.755 2.230 0.595 0.578 0.932 0.493 CB 1.533 74 residues pruned to eliminate duplicates Z: 27 18.110 2.258 0.244 0.476 0.923 0.269 CB 1.404 27 residues pruned to eliminate duplicates Z: 73 52.374 2.243 0.672 0.606 0.917 0.500 CB 1.623 73 residues pruned to eliminate duplicates Z: 35 30.572 2.192 0.600 0.529 0.941 0.588 CB 1.544 35 residues pruned to eliminate duplicates Z: 53 48.038 2.270 0.705 0.601 0.942 0.442 CB 1.659 53 residues pruned to eliminate duplicates Z: 32 21.997 2.114 0.441 0.448 0.903 0.484 CA 1.515 32 residues pruned to eliminate duplicates Z: 28 21.898 2.147 0.612 0.389 0.889 0.481 CB 1.541 28 residues pruned to eliminate duplicates Z: 73 47.247 2.238 0.562 0.584 0.917 0.556 CB 1.603 73 residues pruned to eliminate duplicates Z: 75 46.425 2.204 0.603 0.580 0.919 0.554 CB 1.538 75 residues pruned to eliminate duplicates Z: 54 45.986 2.260 0.643 0.595 0.962 0.434 CB 1.614 54 residues pruned to eliminate duplicates Z: 36 27.263 2.117 0.642 0.453 0.886 0.571 CA 1.570 36 residues pruned to eliminate duplicates Z: 31 30.715 2.194 0.684 0.504 0.967 0.533 CB 1.564 31 residues pruned to eliminate duplicates Z: 45 30.097 2.218 0.444 0.522 0.932 0.523 CB 1.487 45 residues pruned to eliminate duplicates Z: 69 44.632 2.232 0.663 0.554 0.926 0.382 CB 1.493 69 residues pruned to eliminate duplicates Z: 44 26.395 2.201 0.487 0.446 0.860 0.419 CB 1.511 44 residues pruned to eliminate duplicates Z: 33 20.575 2.050 0.496 0.403 0.938 0.562 CB 1.401 33 residues pruned to eliminate duplicates Z: 47 31.030 2.190 0.599 0.479 0.891 0.370 CB 1.497 47 residues pruned to eliminate duplicates Z: 68 47.875 2.262 0.712 0.559 0.925 0.448 CB 1.542 68 residues pruned to eliminate duplicates Z: 44 30.942 2.232 0.471 0.520 0.953 0.535 CB 1.478 44 residues pruned to eliminate duplicates Z: 132 43.516 2.163 0.423 0.408 0.863 0.412 CB 1.577 132 residues pruned to eliminate duplicates Z: 19 23.510 2.153 0.441 0.606 1.000 0.500 CB 1.614 19 residues pruned to eliminate duplicates Z: 68 46.387 2.251 0.624 0.601 0.910 0.463 CB 1.546 68 residues pruned to eliminate duplicates Z: 54 31.443 2.138 0.619 0.512 0.887 0.453 CB 1.391 54 residues pruned to eliminate duplicates Z: 10 15.771 1.934 0.489 0.881 1.000 0.444 CA 1.322 10 residues pruned to eliminate duplicates Z: 13 17.780 2.138 0.479 0.643 0.917 0.667 CA 1.549 13 residues pruned to eliminate duplicates Z: 15 12.730 1.921 0.447 0.634 0.786 0.429 CA 1.373 15 residues pruned to eliminate duplicates Z: 68 42.202 2.200 0.660 0.523 0.881 0.403 CB 1.566 68 residues pruned to eliminate duplicates Z: 16 19.793 2.055 0.504 0.663 0.933 0.600 CA 1.523 16 residues pruned to eliminate duplicates Z: 75 48.827 2.220 0.628 0.576 0.932 0.500 CB 1.565 75 residues pruned to eliminate duplicates Z: 14 19.342 2.037 0.679 0.708 0.846 0.538 CA 1.534 14 residues pruned to eliminate duplicates Z: 22 27.735 2.175 0.648 0.673 1.000 0.619 CB 1.440 22 residues pruned to eliminate duplicates Z: 25 18.707 2.002 0.440 0.585 0.917 0.667 CB 1.333 25 residues pruned to eliminate duplicates Z: 17 25.953 2.252 0.608 0.731 0.875 0.562 CB 1.664 17 residues pruned to eliminate duplicates Z: 24 30.676 2.156 0.716 0.746 0.957 0.652 CA 1.450 24 residues pruned to eliminate duplicates Z: 12 25.231 2.359 0.495 0.863 1.000 0.545 CB 1.583 12 residues pruned to eliminate duplicates Z: 19 26.951 2.128 0.808 0.721 0.944 0.444 CB 1.432 17 residues pruned to eliminate duplicates Z: 19 21.237 2.043 0.447 0.875 0.889 0.556 CB 1.386 19 residues pruned to eliminate duplicates Z: 28 24.288 2.002 0.584 0.682 0.889 0.481 CB 1.403 28 residues pruned to eliminate duplicates Z: 20 23.554 2.227 0.388 0.769 0.947 0.632 CB 1.454 20 residues pruned to eliminate duplicates Z: 23 23.520 2.151 0.616 0.656 0.909 0.591 CB 1.373 23 residues pruned to eliminate duplicates Z: 17 24.548 2.139 0.701 0.746 0.938 0.562 CB 1.444 17 residues pruned to eliminate duplicates Z: 24 28.540 2.165 0.733 0.726 0.870 0.478 CA 1.488 25 residues pruned to eliminate duplicates Z: 21 33.311 2.207 0.851 0.857 0.900 0.400 CB 1.492 21 residues pruned to eliminate duplicates Z: 25 27.681 2.104 0.712 0.679 0.917 0.417 CB 1.452 25 residues pruned to eliminate duplicates Z: 20 31.493 2.186 0.883 0.850 0.895 0.421 CB 1.454 20 residues pruned to eliminate duplicates Z: 11 8.392 1.900 0.648 0.795 1.000 0.700 CA 0.654 11 residues pruned to eliminate duplicates Z: 24 19.130 2.067 0.847 0.732 0.609 0.348 CB 1.393 24 residues pruned to eliminate duplicates Z: 27 31.654 2.038 1.121 0.670 0.885 0.500 CA 1.387 26 residues pruned to eliminate duplicates Z: 20 33.493 2.208 0.831 0.880 0.947 0.684 CB 1.454 20 residues pruned to eliminate duplicates Z: 25 31.927 2.119 0.852 0.678 0.958 0.417 CA 1.471 25 residues pruned to eliminate duplicates Z: 27 33.755 2.100 1.050 0.656 0.923 0.462 CA 1.441 28 residues pruned to eliminate duplicates Z: 13 20.388 2.091 1.216 0.775 0.750 0.250 CB 1.329 13 residues pruned to eliminate duplicates Z: 11 12.498 1.975 0.373 0.539 0.900 0.700 CA 1.559 12 residues pruned to eliminate duplicates Z: 12 12.298 1.955 0.257 0.574 0.909 0.636 CB 1.546 12 residues pruned to eliminate duplicates Z: 16 7.701 1.816 0.103 0.454 0.733 0.600 CA 1.420 16 residues pruned to eliminate duplicates Z: 32 14.602 2.020 0.194 0.338 0.871 0.387 CB 1.490 32 residues pruned to eliminate duplicates Z: 11 13.465 2.079 0.261 0.572 1.000 0.500 N 1.514 11 residues pruned to eliminate duplicates Z: 19 9.973 1.767 0.346 0.386 0.833 0.611 CB 1.339 19 residues pruned to eliminate duplicates Z: 14 11.019 1.950 0.213 0.510 0.846 0.385 CB 1.511 14 residues pruned to eliminate duplicates Z: 13 12.045 1.951 0.182 0.622 0.917 0.583 CA 1.465 13 residues pruned to eliminate duplicates Z: 33 15.424 2.005 0.266 0.378 0.844 0.469 CB 1.451 33 residues pruned to eliminate duplicates Z: 32 14.856 2.045 0.277 0.337 0.806 0.419 CB 1.513 32 residues pruned to eliminate duplicates Z: 26 12.861 2.050 0.282 0.328 0.760 0.440 CA 1.555 26 residues pruned to eliminate duplicates Z: 18 12.415 1.922 0.494 0.332 0.824 0.529 N 1.530 18 residues pruned to eliminate duplicates Z: 18 8.996 2.018 0.176 0.252 0.824 0.294 CB 1.485 18 residues pruned to eliminate duplicates Z: 30 13.068 2.027 0.138 0.332 0.793 0.448 CB 1.595 30 residues pruned to eliminate duplicates Z: 21 10.549 2.071 0.171 0.258 0.800 0.450 CB 1.605 21 residues pruned to eliminate duplicates Z: 23 8.631 1.980 0.132 0.235 0.773 0.409 CB 1.445 23 residues pruned to eliminate duplicates Z: 20 10.673 2.079 0.198 0.281 0.842 0.474 CB 1.495 20 residues pruned to eliminate duplicates Z: 26 13.529 1.961 0.269 0.337 0.880 0.520 CB 1.475 27 residues pruned to eliminate duplicates Z: 13 5.733 1.835 0.306 0.173 0.750 0.167 CA 1.368 13 residues pruned to eliminate duplicates Z: 10 7.774 2.070 0.323 0.294 0.778 0.222 CB 1.533 10 residues pruned to eliminate duplicates Z: 14 7.548 1.988 0.268 0.268 0.769 0.308 CA 1.406 14 residues pruned to eliminate duplicates Z: 15 7.931 1.929 0.374 0.283 0.714 0.429 CB 1.431 15 residues pruned to eliminate duplicates Z: 32 14.165 1.999 0.319 0.301 0.806 0.516 CB 1.495 32 residues pruned to eliminate duplicates Z: 22 12.223 2.007 0.345 0.306 0.810 0.429 CA 1.515 21 residues pruned to eliminate duplicates Z: 7 3.882 1.593 -0.065 0.366 1.000 0.667 C 1.230 7 residues pruned to eliminate duplicates Z: 33 15.251 1.991 0.313 0.360 0.812 0.500 CB 1.476 31 residues pruned to eliminate duplicates Z: 6 3.778 1.660 0.318 0.564 0.600 0.400 CA 1.210 6 residues pruned to eliminate duplicates Z: 17 9.808 1.922 0.498 0.391 0.750 0.500 CB 1.274 21 residues pruned to eliminate duplicates Z: 6 5.653 1.766 0.224 0.589 0.800 0.400 CB 1.343 6 residues pruned to eliminate duplicates Z: 16 8.330 1.879 0.402 0.485 0.733 0.400 CB 1.129 16 residues pruned to eliminate duplicates Z: 19 12.792 1.928 0.531 0.445 0.833 0.611 CB 1.297 25 residues pruned to eliminate duplicates Z: 7 3.313 1.780 0.300 0.468 0.667 0.500 CB 0.906 7 residues pruned to eliminate duplicates Z: 23 10.946 1.725 0.616 0.401 0.818 0.455 CB 1.135 23 residues pruned to eliminate duplicates Z: 20 9.678 1.876 0.407 0.412 0.737 0.474 CB 1.252 20 residues pruned to eliminate duplicates Z: 14 7.505 1.799 0.387 0.439 0.769 0.385 CB 1.154 14 residues pruned to eliminate duplicates Z: 16 9.563 1.893 0.473 0.499 0.733 0.333 CB 1.208 16 residues pruned to eliminate duplicates Z: 14 9.232 1.655 0.586 0.349 0.923 0.308 CA 1.245 14 residues pruned to eliminate duplicates Z: 11 6.825 1.830 0.619 0.443 0.800 0.500 CB 0.966 11 residues pruned to eliminate duplicates Z: 12 7.506 1.895 0.377 0.468 0.818 0.273 CB 1.095 12 residues pruned to eliminate duplicates Z: 12 8.635 1.881 0.530 0.467 0.818 0.273 CB 1.143 12 residues pruned to eliminate duplicates Z: 11 9.075 1.883 0.779 0.419 0.900 0.200 CB 1.036 11 residues pruned to eliminate duplicates Z: 17 13.155 2.187 0.236 0.455 0.812 0.438 CA 1.569 17 residues pruned to eliminate duplicates Z: 19 13.138 2.104 0.232 0.508 0.833 0.556 CA 1.422 19 residues pruned to eliminate duplicates Z: 17 16.538 2.186 0.399 0.457 0.875 0.562 CA 1.614 17 residues pruned to eliminate duplicates Z: 18 12.618 2.110 0.244 0.467 0.824 0.471 CA 1.463 18 residues pruned to eliminate duplicates Z: 15 14.251 2.114 0.265 0.479 0.929 0.714 CB 1.567 15 residues pruned to eliminate duplicates Z: 20 9.304 1.880 0.345 0.346 0.789 0.263 CA 1.264 20 residues pruned to eliminate duplicates Z: 13 13.971 2.250 0.265 0.542 0.917 0.750 CA 1.484 13 residues pruned to eliminate duplicates Z: 24 12.081 2.004 0.212 0.404 0.783 0.478 CA 1.465 19 residues pruned to eliminate duplicates Z: 50 19.815 2.031 0.241 0.368 0.857 0.429 CA 1.511 50 residues pruned to eliminate duplicates Z: 17 12.702 2.137 0.215 0.474 0.812 0.500 CA 1.545 17 residues pruned to eliminate duplicates Z: 13 14.873 2.230 0.294 0.569 0.917 0.833 CA 1.518 13 residues pruned to eliminate duplicates Z: 15 13.317 2.102 0.234 0.476 0.929 0.643 CA 1.514 15 residues pruned to eliminate duplicates Z: 19 11.687 2.091 0.215 0.393 0.778 0.556 CA 1.561 19 residues pruned to eliminate duplicates Z: 19 11.773 2.112 0.167 0.441 0.778 0.556 CA 1.539 19 residues pruned to eliminate duplicates Z: 9 12.328 2.114 0.311 0.594 1.000 0.500 CA 1.436 9 residues pruned to eliminate duplicates Z: 21 12.988 2.038 0.308 0.417 0.800 0.450 CA 1.485 21 residues pruned to eliminate duplicates Z: 13 11.364 2.091 0.451 0.493 0.750 0.500 CA 1.452 13 residues pruned to eliminate duplicates Z: 41 18.808 2.015 0.423 0.378 0.800 0.525 CB 1.476 41 residues pruned to eliminate duplicates Z: 19 12.655 2.070 0.414 0.255 0.833 0.333 CA 1.620 19 residues pruned to eliminate duplicates Z: 10 3.746 1.967 0.281 0.148 0.556 0.111 CA 1.376 10 residues pruned to eliminate duplicates Z: 31 12.666 2.034 0.227 0.265 0.767 0.533 CB 1.580 31 residues pruned to eliminate duplicates Z: 9 3.784 2.043 0.279 0.164 0.625 0.250 CB 1.234 9 residues pruned to eliminate duplicates Z: 40 20.435 2.115 0.275 0.385 0.872 0.487 CA 1.572 40 residues pruned to eliminate duplicates Z: 26 9.090 1.907 0.227 0.254 0.720 0.440 CB 1.432 26 residues pruned to eliminate duplicates Z: 42 18.005 2.045 0.226 0.390 0.854 0.561 CA 1.476 42 residues pruned to eliminate duplicates Z: 42 19.664 2.067 0.314 0.376 0.829 0.463 CA 1.556 42 residues pruned to eliminate duplicates Z: 35 21.879 2.067 0.361 0.437 0.912 0.559 CA 1.562 35 residues pruned to eliminate duplicates Z: 25 12.909 2.069 0.347 0.323 0.750 0.333 CA 1.532 25 residues pruned to eliminate duplicates Z: 37 22.924 2.052 0.403 0.449 0.917 0.639 CB 1.526 37 residues pruned to eliminate duplicates Z: 21 11.264 1.948 0.456 0.325 0.850 0.400 CB 1.265 21 residues pruned to eliminate duplicates Z: 20 12.717 1.943 0.446 0.373 0.842 0.579 CA 1.413 20 residues pruned to eliminate duplicates Z: 14 11.461 2.060 0.405 0.382 0.846 0.538 CB 1.472 14 residues pruned to eliminate duplicates Z: 17 15.363 2.137 0.279 0.465 0.938 0.562 CA 1.554 17 residues pruned to eliminate duplicates Z: 24 13.536 1.969 0.318 0.331 0.870 0.522 CA 1.505 24 residues pruned to eliminate duplicates Z: 34 22.603 2.055 0.347 0.499 0.909 0.606 CB 1.565 34 residues pruned to eliminate duplicates Z: 27 14.000 1.841 0.475 0.432 0.808 0.385 CB 1.344 27 residues pruned to eliminate duplicates Z: 24 10.278 1.872 0.210 0.344 0.913 0.391 CA 1.228 24 residues pruned to eliminate duplicates Z: 33 21.720 2.121 0.357 0.478 0.906 0.688 CB 1.505 33 residues pruned to eliminate duplicates Z: 34 21.701 2.097 0.288 0.464 0.939 0.606 CB 1.544 34 residues pruned to eliminate duplicates Z: 33 19.386 2.083 0.194 0.470 0.938 0.625 CA 1.516 33 residues pruned to eliminate duplicates Z: 14 12.218 1.871 0.328 0.393 1.000 0.538 CA 1.528 14 residues pruned to eliminate duplicates Z: 22 17.001 2.054 0.459 0.408 0.952 0.667 CA 1.431 22 residues pruned to eliminate duplicates Z: 34 20.365 2.093 0.202 0.476 0.939 0.485 CB 1.536 34 residues pruned to eliminate duplicates Z: 26 20.661 2.057 0.356 0.514 0.920 0.600 CB 1.588 26 residues pruned to eliminate duplicates Z: 33 26.419 2.121 0.408 0.488 1.000 0.656 CB 1.584 33 residues pruned to eliminate duplicates Z: 33 19.387 1.999 0.387 0.461 0.969 0.625 CB 1.327 33 residues pruned to eliminate duplicates Z: 17 13.624 2.026 0.346 0.487 0.938 0.500 CA 1.350 17 residues pruned to eliminate duplicates Z: 16 8.203 1.854 0.386 0.383 0.867 0.467 CB 1.077 16 residues pruned to eliminate duplicates Z: 34 21.405 2.089 0.329 0.452 0.939 0.667 CB 1.502 34 residues pruned to eliminate duplicates Z: 12 15.818 2.182 0.370 0.562 1.000 0.727 CB 1.502 12 residues pruned to eliminate duplicates Z: 25 16.785 1.983 0.398 0.438 0.917 0.667 CA 1.436 25 residues pruned to eliminate duplicates Z: 12 14.273 2.183 0.329 0.589 1.000 0.818 CB 1.361 12 residues pruned to eliminate duplicates Z: 12 12.106 2.117 0.365 0.626 0.818 0.818 CB 1.371 11 residues pruned to eliminate duplicates Z: 34 22.558 2.067 0.285 0.502 0.970 0.606 CB 1.521 35 residues pruned to eliminate duplicates Z: 18 15.718 1.954 0.562 0.517 0.941 0.588 CB 1.305 18 residues pruned to eliminate duplicates Z: 12 14.252 2.178 0.187 0.627 1.000 0.818 CB 1.474 12 residues pruned to eliminate duplicates Z: 12 19.459 2.183 0.363 0.609 1.000 0.636 CB 1.779 14 residues pruned to eliminate duplicates Z: 6 2.102 1.574 -0.155 0.228 0.800 0.400 N 1.213 6 residues pruned to eliminate duplicates Z: 10 14.528 2.237 0.256 0.603 0.889 0.667 CA 1.758 10 residues pruned to eliminate duplicates Z: 12 17.897 2.166 0.335 0.594 1.000 0.636 CB 1.707 12 residues pruned to eliminate duplicates Z: 12 16.712 2.169 0.271 0.591 1.000 0.636 CB 1.676 12 residues pruned to eliminate duplicates Z: 15 15.155 1.995 0.416 0.627 0.929 0.571 CB 1.370 16 residues pruned to eliminate duplicates Z: 6 2.268 1.237 0.553 0.489 0.800 0.400 C 0.668 6 residues pruned to eliminate duplicates Z: 18 18.781 2.100 0.591 0.587 0.882 0.588 CA 1.421 18 residues pruned to eliminate duplicates Z: 6 6.130 1.797 0.543 0.352 0.800 0.600 N 1.449 6 residues pruned to eliminate duplicates Z: 17 13.011 2.022 0.607 0.466 0.750 0.688 CA 1.382 17 residues pruned to eliminate duplicates Z: 22 18.806 1.987 0.597 0.486 0.857 0.571 CA 1.531 19 residues pruned to eliminate duplicates Z: 10 13.001 2.087 0.408 0.634 1.000 0.778 CA 1.301 10 residues pruned to eliminate duplicates Z: 19 20.336 2.057 0.645 0.561 0.944 0.611 CA 1.414 22 residues pruned to eliminate duplicates Z: 9 10.648 1.710 0.872 0.771 1.000 0.750 CA 0.925 9 residues pruned to eliminate duplicates Z: 20 21.056 2.012 0.834 0.571 0.895 0.684 CA 1.367 19 residues pruned to eliminate duplicates Z: 10 16.412 1.900 0.736 0.802 1.000 0.778 CA 1.274 10 residues pruned to eliminate duplicates Z: 23 18.819 1.907 0.640 0.455 0.909 0.545 CA 1.478 22 residues pruned to eliminate duplicates Z: 10 16.289 1.880 0.697 0.848 1.000 0.778 CA 1.262 10 residues pruned to eliminate duplicates Z: 9 5.277 1.576 0.703 0.266 0.750 0.500 CB 1.209 9 residues pruned to eliminate duplicates Z: 9 4.485 1.340 0.806 0.209 0.875 0.250 C 1.056 6 residues pruned to eliminate duplicates 535 residues left after pruning, divided into chains as follows: A: 6 B: 7 C: 6 D: 6 E: 7 F: 6 G: 14 H: 23 I: 19 J: 9 K: 18 L: 9 M: 91 N: 11 O: 134 P: 24 Q: 34 R: 19 S: 60 T: 13 U: 19 CC for partial structure against native data = 19.12 % ------------------------------------------------------------------------------ Global autotracing cycle 19 = 0.300, Contrast = 0.410, Connect. = 0.679 for dens.mod. cycle 1 = 0.300, Contrast = 0.474, Connect. = 0.702 for dens.mod. cycle 2 = 0.300, Contrast = 0.547, Connect. = 0.737 for dens.mod. cycle 3 = 0.300, Contrast = 0.554, Connect. = 0.742 for dens.mod. cycle 4 = 0.300, Contrast = 0.562, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.566, Connect. = 0.750 for dens.mod. cycle 6 = 0.300, Contrast = 0.571, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.573, Connect. = 0.755 for dens.mod. cycle 8 = 0.300, Contrast = 0.575, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.576, Connect. = 0.758 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6942 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1184 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 34.319 2.235 0.456 0.843 0.952 0.429 CA 1.800 B: 12 27.414 2.326 0.546 0.880 1.000 0.818 CB 1.666 C: 9 11.243 2.218 0.381 0.463 0.875 0.500 CA 1.540 D: 17 30.850 2.177 0.588 0.859 0.938 0.812 CA 1.751 17 residues pruned to eliminate duplicates E: 20 32.581 2.300 0.567 0.900 0.947 0.895 CB 1.564 21 residues pruned to eliminate duplicates F: 21 29.256 2.256 0.474 0.868 0.900 0.600 CB 1.599 21 residues pruned to eliminate duplicates G: 14 13.233 2.096 0.368 0.579 0.846 0.462 CA 1.402 H: 22 31.532 2.193 0.593 0.847 0.905 0.286 CB 1.616 20 residues pruned to eliminate duplicates I: 22 26.125 2.103 0.442 0.853 1.000 0.857 CA 1.389 13 residues pruned to eliminate duplicates J: 19 17.542 1.965 0.399 0.509 1.000 0.500 CB 1.492 K: 21 27.828 2.163 0.365 0.844 1.000 0.550 CB 1.569 21 residues pruned to eliminate duplicates L: 17 17.059 2.060 0.440 0.531 0.938 0.625 CA 1.488 17 residues pruned to eliminate duplicates M: 16 13.569 2.150 0.181 0.831 0.733 0.667 CB 1.413 18 residues pruned to eliminate duplicates N: 8 11.289 2.178 0.146 0.621 1.000 0.429 CB 1.526 O: 22 34.280 2.148 0.593 0.888 1.000 0.905 CB 1.575 22 residues pruned to eliminate duplicates P: 12 7.691 2.014 -0.079 0.840 0.818 0.818 CB 1.140 Q: 16 25.464 2.248 0.512 0.794 0.867 0.400 CB 1.725 16 residues pruned to eliminate duplicates R: 23 22.452 2.043 0.684 0.534 0.909 0.545 CA 1.481 2 residues pruned to eliminate duplicates S: 22 26.505 1.986 0.411 0.899 1.000 0.857 CA 1.476 T: 25 27.926 2.014 0.430 0.826 0.958 0.792 CB 1.558 25 residues pruned to eliminate duplicates U: 10 13.528 1.929 0.565 0.540 0.889 0.667 C 1.615 V: 23 30.625 2.135 0.432 0.841 0.955 0.727 CB 1.669 23 residues pruned to eliminate duplicates W: 49 42.078 2.276 0.605 0.606 0.875 0.479 CB 1.718 33 residues pruned to eliminate duplicates X: 21 37.208 2.287 0.525 0.894 1.000 0.700 CB 1.711 21 residues pruned to eliminate duplicates Y: 17 20.873 2.197 0.406 0.864 0.875 0.625 CB 1.415 17 residues pruned to eliminate duplicates Z: 21 40.232 2.268 0.588 0.922 1.000 0.750 CB 1.757 21 residues pruned to eliminate duplicates Z: 21 39.205 2.294 0.666 0.874 1.000 0.650 CB 1.669 21 residues pruned to eliminate duplicates Z: 19 31.400 2.312 0.575 0.867 0.944 0.556 CB 1.575 19 residues pruned to eliminate duplicates Z: 22 9.220 1.934 0.142 0.260 0.857 0.381 CB 1.398 Z: 20 22.539 2.043 0.636 0.891 0.895 0.737 CA 1.243 Z: 13 12.381 1.932 0.158 0.829 0.917 0.417 CB 1.311 Z: 21 26.845 2.170 0.523 0.874 0.950 0.700 CA 1.391 21 residues pruned to eliminate duplicates Z: 21 12.383 2.042 0.369 0.349 0.900 0.550 CB 1.297 21 residues pruned to eliminate duplicates Z: 11 9.862 2.090 0.074 0.774 0.900 0.600 CB 1.212 11 residues pruned to eliminate duplicates Z: 8 9.052 1.868 0.501 0.695 1.000 0.857 CA 1.022 Z: 52 43.414 2.283 0.599 0.598 0.922 0.490 CB 1.646 51 residues pruned to eliminate duplicates Z: 20 11.614 2.018 0.415 0.331 0.737 0.474 CA 1.524 14 residues pruned to eliminate duplicates Z: 17 9.369 2.027 0.426 0.260 0.812 0.500 CB 1.312 Z: 22 32.484 2.219 0.442 0.884 0.905 0.762 CB 1.769 22 residues pruned to eliminate duplicates Z: 16 9.928 1.954 0.137 0.472 0.800 0.533 CB 1.484 Z: 37 20.691 2.059 0.365 0.435 0.917 0.583 CB 1.432 Z: 12 7.877 1.770 0.147 0.461 0.909 0.364 CA 1.339 Z: 19 29.190 1.966 0.739 0.873 0.944 0.500 N 1.552 20 residues pruned to eliminate duplicates Z: 15 17.217 2.156 0.245 0.856 0.929 0.786 CB 1.362 15 residues pruned to eliminate duplicates Z: 46 37.620 2.275 0.526 0.652 0.889 0.356 CB 1.578 46 residues pruned to eliminate duplicates Z: 46 28.979 2.210 0.443 0.525 0.867 0.556 CB 1.524 47 residues pruned to eliminate duplicates Z: 12 17.090 1.956 0.503 0.830 1.000 0.636 CB 1.317 13 residues pruned to eliminate duplicates Z: 22 16.114 2.204 0.419 0.352 0.857 0.476 CB 1.541 5 residues pruned to eliminate duplicates Z: 11 15.253 1.890 0.543 0.866 0.900 0.600 CA 1.345 11 residues pruned to eliminate duplicates Z: 13 9.470 1.899 0.291 0.415 0.917 0.583 CA 1.329 13 residues pruned to eliminate duplicates Z: 22 11.072 2.021 0.153 0.485 0.810 0.571 CB 1.300 22 residues pruned to eliminate duplicates Z: 8 9.192 2.219 0.324 0.527 0.714 0.429 CA 1.612 8 residues pruned to eliminate duplicates Z: 21 28.978 2.213 0.752 0.910 0.800 0.300 CB 1.482 21 residues pruned to eliminate duplicates Z: 22 18.308 2.080 0.320 0.508 0.952 0.524 CB 1.516 22 residues pruned to eliminate duplicates Z: 32 16.308 1.962 0.489 0.351 0.903 0.419 CB 1.305 17 residues pruned to eliminate duplicates Z: 14 38.932 2.255 0.958 0.906 1.000 0.769 CB 1.739 14 residues pruned to eliminate duplicates Z: 59 24.990 2.136 0.450 0.315 0.879 0.534 CA 1.478 58 residues pruned to eliminate duplicates Z: 6 4.102 1.749 0.476 0.479 0.600 0.600 CB 1.209 Z: 22 28.081 2.170 0.335 0.873 0.952 0.619 CB 1.618 22 residues pruned to eliminate duplicates Z: 19 25.293 2.101 0.743 0.895 0.889 0.833 CB 1.313 19 residues pruned to eliminate duplicates Z: 10 11.289 1.916 0.528 0.489 0.889 0.667 CA 1.462 Z: 11 7.866 1.871 0.310 0.448 0.900 0.600 CB 1.189 Z: 6 3.126 1.761 -0.053 0.492 0.800 0.600 CB 1.056 Z: 12 18.473 1.885 0.673 0.657 0.909 0.727 N 1.680 12 residues pruned to eliminate duplicates Z: 12 13.261 2.124 0.041 0.648 1.000 0.727 CB 1.575 13 residues pruned to eliminate duplicates Z: 11 6.432 1.917 0.105 0.572 0.700 0.500 CB 1.279 Z: 13 18.058 2.110 0.264 0.858 0.917 0.750 CB 1.570 13 residues pruned to eliminate duplicates Z: 12 6.675 1.710 0.327 0.441 0.818 0.364 CB 1.152 Z: 7 6.691 1.659 0.399 0.527 0.833 0.333 CB 1.375 Z: 12 14.086 2.063 0.344 0.549 0.909 0.636 CA 1.606 9 residues pruned to eliminate duplicates Z: 30 24.040 2.073 0.468 0.602 0.862 0.621 CA 1.544 17 residues pruned to eliminate duplicates Z: 18 18.187 1.951 0.611 0.532 0.941 0.529 CA 1.444 14 residues pruned to eliminate duplicates Z: 10 11.814 1.902 0.729 0.488 0.889 0.444 CB 1.364 7 residues pruned to eliminate duplicates Z: 21 32.344 2.271 0.588 0.878 0.900 0.350 CB 1.617 21 residues pruned to eliminate duplicates Z: 17 21.006 2.078 0.507 0.920 1.000 0.938 CA 1.181 18 residues pruned to eliminate duplicates Z: 29 17.774 2.024 0.281 0.495 0.929 0.643 CB 1.401 29 residues pruned to eliminate duplicates Z: 18 20.155 2.107 0.594 0.886 0.882 0.588 CA 1.191 18 residues pruned to eliminate duplicates Z: 24 12.789 2.073 0.385 0.336 0.826 0.522 CA 1.346 24 residues pruned to eliminate duplicates Z: 11 7.139 1.868 0.317 0.371 0.800 0.200 N 1.316 5 residues pruned to eliminate duplicates Z: 29 16.998 2.150 0.353 0.341 0.893 0.429 CB 1.471 29 residues pruned to eliminate duplicates Z: 18 24.850 2.050 0.672 0.848 0.824 0.353 CB 1.583 18 residues pruned to eliminate duplicates Z: 11 12.288 2.023 0.408 0.486 1.000 0.600 CA 1.383 11 residues pruned to eliminate duplicates Z: 13 10.773 2.118 0.404 0.397 0.833 0.750 CA 1.398 13 residues pruned to eliminate duplicates Z: 9 8.024 1.799 0.031 0.661 1.000 0.500 CB 1.317 Z: 8 10.082 1.887 0.272 0.749 0.857 0.571 O 1.482 8 residues pruned to eliminate duplicates Z: 20 6.740 1.701 0.142 0.325 0.737 0.474 CA 1.310 21 residues pruned to eliminate duplicates Z: 10 11.145 1.912 0.520 0.582 0.889 0.667 CA 1.329 10 residues pruned to eliminate duplicates Z: 42 22.230 2.192 0.437 0.336 0.927 0.512 CA 1.423 42 residues pruned to eliminate duplicates Z: 17 16.809 2.047 0.441 0.520 1.000 0.750 CB 1.396 17 residues pruned to eliminate duplicates Z: 6 3.939 1.825 0.242 0.298 0.800 0.600 N 1.217 Z: 19 22.246 2.023 0.245 0.903 0.944 0.833 CA 1.572 19 residues pruned to eliminate duplicates Z: 11 7.947 1.903 0.362 0.369 0.800 0.500 CA 1.394 9 residues pruned to eliminate duplicates Z: 10 12.680 1.707 0.869 0.718 1.000 0.444 CB 1.088 10 residues pruned to eliminate duplicates Z: 13 14.325 2.087 0.330 0.841 0.917 0.667 CA 1.212 13 residues pruned to eliminate duplicates Z: 8 12.087 2.059 0.468 0.571 0.857 0.571 CA 1.646 8 residues pruned to eliminate duplicates Z: 20 24.650 2.040 0.567 0.920 0.947 0.474 CA 1.315 20 residues pruned to eliminate duplicates Z: 13 15.115 2.081 0.324 0.571 0.917 0.667 CB 1.612 15 residues pruned to eliminate duplicates Z: 6 3.480 1.708 0.127 0.541 1.000 0.600 CB 0.777 Z: 22 27.726 2.125 0.518 0.841 1.000 0.619 CA 1.399 21 residues pruned to eliminate duplicates Z: 16 11.985 2.034 0.091 0.626 1.000 0.667 CB 1.239 16 residues pruned to eliminate duplicates Z: 11 11.561 1.861 0.272 0.865 0.900 0.700 CA 1.257 11 residues pruned to eliminate duplicates Z: 71 47.885 2.239 0.567 0.613 0.943 0.486 CB 1.555 71 residues pruned to eliminate duplicates Z: 8 9.287 1.803 0.607 0.581 0.857 0.714 N 1.307 Z: 25 17.172 2.179 0.441 0.320 0.875 0.417 CA 1.555 25 residues pruned to eliminate duplicates Z: 12 8.871 1.857 0.270 0.444 0.818 0.727 C 1.467 12 residues pruned to eliminate duplicates Z: 22 37.599 2.195 0.613 0.909 1.000 0.476 CB 1.645 22 residues pruned to eliminate duplicates Z: 45 22.223 2.198 0.307 0.319 0.886 0.455 CA 1.607 45 residues pruned to eliminate duplicates Z: 11 15.762 1.918 0.548 0.824 0.900 0.600 CA 1.409 11 residues pruned to eliminate duplicates Z: 12 15.267 1.955 0.309 0.783 0.909 0.636 CA 1.542 12 residues pruned to eliminate duplicates Z: 6 7.998 1.978 0.070 0.662 1.000 0.600 CB 1.455 Z: 11 8.649 2.023 0.368 0.471 0.800 0.500 CB 1.271 11 residues pruned to eliminate duplicates Z: 8 5.591 2.077 0.121 0.792 0.571 0.429 CB 1.229 8 residues pruned to eliminate duplicates Z: 19 19.455 1.978 0.658 0.898 0.944 0.667 CA 1.059 19 residues pruned to eliminate duplicates Z: 11 10.144 2.134 -0.134 0.868 0.900 0.800 CB 1.409 11 residues pruned to eliminate duplicates Z: 8 3.952 1.508 0.479 0.242 1.000 0.571 CB 0.902 Z: 11 16.751 1.803 0.910 0.847 1.000 0.400 CA 1.142 11 residues pruned to eliminate duplicates Z: 11 6.757 1.785 0.461 0.362 0.700 0.400 N 1.357 13 residues pruned to eliminate duplicates Z: 17 9.753 1.899 0.250 0.419 0.875 0.438 CB 1.277 17 residues pruned to eliminate duplicates Z: 34 15.673 1.976 0.252 0.342 0.879 0.424 CB 1.490 32 residues pruned to eliminate duplicates Z: 23 30.191 1.917 0.728 0.895 1.000 0.864 CA 1.393 23 residues pruned to eliminate duplicates Z: 8 7.013 1.910 0.866 0.722 0.857 0.429 CA 0.710 8 residues pruned to eliminate duplicates Z: 20 10.313 1.925 0.293 0.382 0.789 0.632 CA 1.366 20 residues pruned to eliminate duplicates Z: 14 11.216 2.027 0.366 0.508 1.000 0.769 CA 1.114 11 residues pruned to eliminate duplicates Z: 9 6.239 1.632 0.073 0.646 0.875 0.625 CB 1.256 9 residues pruned to eliminate duplicates Z: 37 23.385 2.167 0.496 0.490 0.861 0.444 CB 1.410 37 residues pruned to eliminate duplicates Z: 10 11.722 1.846 0.261 0.872 1.000 0.778 CA 1.223 10 residues pruned to eliminate duplicates Z: 8 5.283 1.708 0.419 0.467 0.857 0.857 CA 0.994 Z: 8 4.829 1.695 0.298 0.545 0.714 0.571 CB 1.112 8 residues pruned to eliminate duplicates Z: 10 11.957 1.872 0.389 0.825 0.778 0.444 CA 1.487 10 residues pruned to eliminate duplicates Z: 7 11.314 1.957 0.628 0.535 1.000 0.500 CB 1.401 Z: 13 4.067 1.596 0.101 0.265 0.750 0.667 N 1.165 Z: 6 5.658 1.905 0.670 0.457 0.800 0.400 CA 1.038 6 residues pruned to eliminate duplicates Z: 12 8.349 1.781 0.463 0.398 0.818 0.455 CA 1.314 11 residues pruned to eliminate duplicates Z: 17 29.262 2.128 0.766 0.921 0.938 0.438 CA 1.461 17 residues pruned to eliminate duplicates Z: 13 7.204 1.740 0.485 0.419 0.833 0.417 CA 1.051 13 residues pruned to eliminate duplicates Z: 6 8.607 1.860 0.326 0.858 1.000 1.000 CA 1.149 6 residues pruned to eliminate duplicates Z: 14 12.993 1.990 0.403 0.524 0.923 0.462 CB 1.365 14 residues pruned to eliminate duplicates Z: 9 3.696 1.553 0.051 0.279 0.875 0.250 CB 1.173 Z: 20 10.979 2.005 0.170 0.459 0.737 0.474 CB 1.520 20 residues pruned to eliminate duplicates Z: 24 12.266 1.958 0.290 0.308 0.826 0.304 CB 1.517 24 residues pruned to eliminate duplicates Z: 16 24.656 2.210 0.541 0.887 0.867 0.600 CB 1.555 16 residues pruned to eliminate duplicates Z: 9 6.236 1.846 0.585 0.472 0.625 0.500 CA 1.241 9 residues pruned to eliminate duplicates Z: 10 11.321 2.101 0.049 0.645 1.000 0.667 CB 1.494 10 residues pruned to eliminate duplicates Z: 10 5.544 1.798 0.557 0.451 0.667 0.444 CB 1.042 Z: 8 10.654 2.044 0.565 0.501 1.000 0.571 CA 1.257 11 residues pruned to eliminate duplicates Z: 8 8.070 1.936 0.210 0.583 0.857 0.571 CA 1.403 8 residues pruned to eliminate duplicates Z: 8 3.038 1.688 0.423 0.409 0.714 0.714 CB 0.736 8 residues pruned to eliminate duplicates Z: 11 6.801 1.837 0.271 0.374 0.900 0.600 CA 1.172 12 residues pruned to eliminate duplicates Z: 6 8.826 1.889 0.732 0.570 0.800 0.800 CB 1.410 8 residues pruned to eliminate duplicates Z: 9 10.818 1.765 0.923 0.671 0.750 0.500 CB 1.283 9 residues pruned to eliminate duplicates Z: 14 6.000 1.608 0.517 0.245 0.692 0.308 C 1.323 12 residues pruned to eliminate duplicates Z: 8 7.238 1.628 0.825 0.649 1.000 0.714 CB 0.802 Z: 22 34.691 2.051 0.811 0.874 0.952 0.524 CA 1.557 21 residues pruned to eliminate duplicates Z: 20 19.332 1.958 0.306 0.839 0.947 0.737 CA 1.367 20 residues pruned to eliminate duplicates Z: 29 16.804 2.102 0.500 0.346 0.786 0.500 CB 1.516 30 residues pruned to eliminate duplicates Z: 14 6.913 1.967 0.066 0.415 0.769 0.538 CA 1.299 Z: 15 10.403 1.803 0.243 0.534 0.929 0.429 CA 1.292 13 residues pruned to eliminate duplicates Z: 8 5.264 1.882 0.294 0.396 0.857 0.286 CB 1.064 8 residues pruned to eliminate duplicates Z: 27 12.848 1.845 0.473 0.316 0.808 0.423 CB 1.407 14 residues pruned to eliminate duplicates Z: 7 3.735 1.379 0.199 0.648 0.833 0.167 N 0.964 Z: 19 13.528 2.106 0.167 0.531 0.833 0.556 CA 1.510 19 residues pruned to eliminate duplicates Z: 24 12.651 1.975 0.550 0.298 0.739 0.348 CB 1.462 25 residues pruned to eliminate duplicates 7 1.460 1.473 -0.235 0.381 0.667 0.333 N 0.900 ? Z: 21 10.308 2.061 0.386 0.306 0.650 0.450 CB 1.541 21 residues pruned to eliminate duplicates Z: 11 13.759 2.184 0.285 0.846 0.900 0.700 CB 1.280 11 residues pruned to eliminate duplicates Z: 6 3.185 1.512 1.420 0.323 0.400 0.400 O 1.182 Z: 22 13.654 1.968 0.388 0.632 0.905 0.810 CA 1.065 25 residues pruned to eliminate duplicates Z: 8 8.273 1.845 0.368 0.626 0.857 0.571 CB 1.283 8 residues pruned to eliminate duplicates Z: 42 20.187 2.011 0.491 0.447 0.878 0.439 CB 1.264 42 residues pruned to eliminate duplicates Z: 7 5.057 1.498 0.546 0.424 0.833 0.667 N 1.158 Z: 10 14.415 2.119 0.041 0.885 1.000 1.000 CA 1.573 10 residues pruned to eliminate duplicates Z: 34 18.975 2.009 0.188 0.468 1.000 0.606 CB 1.431 37 residues pruned to eliminate duplicates Z: 9 2.755 1.344 0.518 0.181 0.875 0.625 CB 0.801 Z: 13 11.732 2.047 0.136 0.645 0.917 0.750 CB 1.389 13 residues pruned to eliminate duplicates Z: 9 3.944 1.545 0.439 0.301 0.750 0.375 CB 1.044 Z: 12 5.640 1.743 0.466 0.457 0.545 0.455 N 1.275 12 residues pruned to eliminate duplicates Z: 25 10.292 1.945 0.183 0.325 0.750 0.417 CB 1.476 25 residues pruned to eliminate duplicates Z: 10 6.175 1.637 0.564 0.453 0.778 0.556 CB 1.085 11 residues pruned to eliminate duplicates Z: 6 4.881 1.556 0.409 0.458 0.800 0.800 N 1.300 Z: 18 16.650 1.997 0.867 0.884 0.765 0.353 CA 1.023 18 residues pruned to eliminate duplicates Z: 6 5.760 1.558 0.251 0.778 1.000 0.600 CA 1.034 Z: 67 32.859 2.195 0.341 0.523 0.848 0.561 CB 1.583 80 residues pruned to eliminate duplicates Z: 22 21.179 2.012 0.542 0.618 0.905 0.619 CB 1.473 25 residues pruned to eliminate duplicates Z: 19 28.017 1.998 0.620 0.875 1.000 0.889 CA 1.484 19 residues pruned to eliminate duplicates Z: 12 10.487 2.058 -0.075 0.491 1.000 0.818 CB 1.677 12 residues pruned to eliminate duplicates Z: 7 3.654 1.497 0.378 0.384 0.833 0.667 N 0.981 6 1.529 1.570 0.215 0.359 0.800 0.400 CB 0.522 ? Z: 7 2.680 1.452 0.879 0.346 0.500 0.333 CB 0.948 Z: 17 10.193 1.917 0.188 0.363 0.875 0.562 N 1.482 17 residues pruned to eliminate duplicates Z: 16 10.366 1.838 0.718 0.476 0.867 0.533 CB 1.003 9 residues pruned to eliminate duplicates Z: 12 6.102 1.818 0.562 0.358 0.727 0.545 CB 1.038 12 residues pruned to eliminate duplicates Z: 34 21.669 2.066 0.278 0.458 0.939 0.515 CA 1.586 35 residues pruned to eliminate duplicates Z: 8 9.029 1.811 0.657 0.530 0.857 0.429 CA 1.289 8 residues pruned to eliminate duplicates Z: 9 13.963 2.043 0.311 0.640 1.000 0.750 CA 1.617 9 residues pruned to eliminate duplicates Z: 21 42.302 2.312 0.788 0.896 0.950 0.600 CB 1.726 21 residues pruned to eliminate duplicates Z: 18 9.790 1.999 0.391 0.362 0.706 0.471 CB 1.404 18 residues pruned to eliminate duplicates Z: 21 27.940 2.039 0.640 0.876 1.000 0.600 CB 1.358 25 residues pruned to eliminate duplicates Z: 9 4.984 1.581 0.036 0.539 0.875 0.750 CA 1.183 9 residues pruned to eliminate duplicates Z: 9 8.806 1.625 1.182 0.409 1.000 0.375 CB 0.966 8 residues pruned to eliminate duplicates Z: 26 14.989 1.956 0.363 0.353 0.840 0.520 CA 1.570 26 residues pruned to eliminate duplicates Z: 23 9.757 2.010 0.308 0.351 0.636 0.455 CB 1.461 23 residues pruned to eliminate duplicates Z: 11 6.620 1.799 0.285 0.551 0.700 0.400 CA 1.231 10 residues pruned to eliminate duplicates Z: 7 6.450 1.369 0.869 0.677 0.833 0.667 CB 1.050 7 residues pruned to eliminate duplicates Z: 16 20.639 2.113 0.530 0.864 0.933 0.667 CB 1.296 16 residues pruned to eliminate duplicates Z: 10 16.150 2.204 0.048 0.844 1.000 0.778 CB 1.735 10 residues pruned to eliminate duplicates Z: 9 9.868 2.100 0.313 0.731 0.750 0.625 CA 1.371 9 residues pruned to eliminate duplicates Z: 9 5.997 1.693 0.337 0.532 0.875 0.625 CB 1.037 10 residues pruned to eliminate duplicates Z: 16 20.317 2.030 0.724 0.891 0.933 0.533 CA 1.155 16 residues pruned to eliminate duplicates Z: 11 6.393 1.709 0.369 0.496 0.900 0.500 CB 0.964 11 residues pruned to eliminate duplicates Z: 7 7.661 1.997 0.233 0.691 0.833 0.833 CA 1.281 7 residues pruned to eliminate duplicates Z: 6 2.094 1.658 0.056 0.452 0.800 0.600 CB 0.702 Z: 7 3.188 1.618 0.287 0.257 0.833 0.500 CA 0.991 Z: 56 23.353 2.106 0.410 0.302 0.909 0.400 CB 1.454 56 residues pruned to eliminate duplicates Z: 6 6.717 1.750 0.908 0.728 1.000 1.000 N 0.732 Z: 7 4.164 1.570 0.132 0.507 0.833 0.333 CA 1.139 Z: 22 27.082 1.989 0.567 0.868 0.952 0.667 CA 1.456 22 residues pruned to eliminate duplicates Z: 18 21.191 2.023 0.432 0.898 1.000 1.000 CA 1.269 18 residues pruned to eliminate duplicates Z: 13 10.842 2.040 0.246 0.518 0.917 0.833 CA 1.320 13 residues pruned to eliminate duplicates Z: 8 5.636 1.704 0.390 0.325 1.000 0.857 CB 1.090 8 residues pruned to eliminate duplicates Z: 20 21.519 1.957 0.678 0.891 1.000 0.684 CA 1.081 20 residues pruned to eliminate duplicates Z: 14 11.801 1.766 0.446 0.836 0.769 0.538 CA 1.247 14 residues pruned to eliminate duplicates Z: 15 10.569 1.972 0.082 0.593 0.857 0.643 CB 1.414 15 residues pruned to eliminate duplicates Z: 7 6.336 1.952 0.373 0.392 0.833 0.500 CA 1.299 7 residues pruned to eliminate duplicates Z: 8 8.798 1.863 -0.075 0.843 1.000 0.857 C 1.437 8 residues pruned to eliminate duplicates Z: 14 18.249 2.074 0.782 0.891 1.000 0.769 CA 0.985 14 residues pruned to eliminate duplicates Z: 6 3.709 1.888 -0.193 0.598 0.800 0.600 CA 1.240 6 residues pruned to eliminate duplicates Z: 34 27.936 2.113 0.490 0.627 0.939 0.576 CB 1.459 34 residues pruned to eliminate duplicates Z: 31 23.233 2.160 0.562 0.459 0.800 0.467 CA 1.639 31 residues pruned to eliminate duplicates Z: 11 9.142 1.894 0.353 0.391 1.000 0.400 CB 1.266 11 residues pruned to eliminate duplicates Z: 11 17.292 1.890 0.719 0.898 1.000 0.700 CA 1.204 11 residues pruned to eliminate duplicates Z: 6 5.522 1.617 0.217 0.670 1.000 0.800 CA 1.072 Z: 16 31.198 2.071 0.997 0.866 0.933 0.533 CB 1.528 16 residues pruned to eliminate duplicates Z: 27 15.271 1.975 0.624 0.335 0.846 0.423 CB 1.320 27 residues pruned to eliminate duplicates Z: 18 21.929 2.044 0.184 0.871 1.000 0.588 CA 1.603 18 residues pruned to eliminate duplicates Z: 15 11.391 1.819 0.718 0.417 0.786 0.571 CA 1.352 11 residues pruned to eliminate duplicates Z: 23 20.830 1.915 0.647 0.701 0.955 0.773 CA 1.229 23 residues pruned to eliminate duplicates Z: 18 17.577 1.969 0.564 0.863 0.882 0.647 CA 1.151 18 residues pruned to eliminate duplicates Z: 10 6.964 1.995 0.306 0.332 0.778 0.556 N 1.376 10 residues pruned to eliminate duplicates Z: 17 8.216 1.905 0.239 0.360 0.750 0.375 CA 1.349 11 residues pruned to eliminate duplicates Z: 19 6.453 1.747 -0.083 0.351 0.889 0.444 CA 1.255 19 residues pruned to eliminate duplicates Z: 17 20.532 2.086 0.520 0.638 0.938 0.500 CB 1.516 17 residues pruned to eliminate duplicates Z: 16 7.811 2.146 0.294 0.365 0.667 0.267 CB 1.259 16 residues pruned to eliminate duplicates Z: 21 18.072 1.943 0.501 0.832 0.900 0.600 CA 1.156 21 residues pruned to eliminate duplicates Z: 21 10.885 1.940 0.423 0.274 0.750 0.450 CB 1.518 21 residues pruned to eliminate duplicates Z: 6 2.826 1.703 0.084 0.228 0.800 0.400 N 1.175 6 residues pruned to eliminate duplicates Z: 35 19.854 2.084 0.390 0.364 0.882 0.529 CB 1.542 35 residues pruned to eliminate duplicates Z: 9 7.202 1.816 0.367 0.483 1.000 0.500 CB 1.043 8 residues pruned to eliminate duplicates Z: 7 6.958 1.454 0.585 0.803 1.000 0.333 CB 0.946 7 residues pruned to eliminate duplicates Z: 8 11.726 1.926 0.209 0.782 1.000 0.571 O 1.484 9 residues pruned to eliminate duplicates Z: 8 4.152 1.567 -0.088 0.460 0.857 0.714 CB 1.334 7 residues pruned to eliminate duplicates Z: 18 14.678 1.995 0.444 0.501 0.882 0.529 CB 1.399 18 residues pruned to eliminate duplicates Z: 13 4.396 1.427 0.294 0.211 0.917 0.250 CB 1.055 Z: 7 8.262 1.942 0.832 0.439 0.667 0.500 CA 1.515 7 residues pruned to eliminate duplicates Z: 19 13.209 1.923 0.331 0.468 0.833 0.500 CA 1.508 19 residues pruned to eliminate duplicates Z: 7 4.725 1.542 -0.060 0.639 1.000 0.500 C 1.168 Z: 9 4.401 1.694 0.113 0.442 0.875 0.500 CB 1.001 Z: 12 11.816 2.098 0.327 0.765 0.818 0.636 CB 1.236 12 residues pruned to eliminate duplicates Z: 14 13.113 1.895 0.413 0.538 1.000 0.615 CA 1.308 14 residues pruned to eliminate duplicates Z: 9 7.487 1.800 0.526 0.471 0.875 0.625 CA 1.134 9 residues pruned to eliminate duplicates Z: 11 9.225 1.810 0.114 0.656 1.000 0.600 CA 1.252 11 residues pruned to eliminate duplicates Z: 8 3.037 1.591 0.173 0.346 0.714 0.714 N 1.017 8 residues pruned to eliminate duplicates Z: 9 4.681 1.446 0.363 0.335 1.000 0.250 O 1.005 Z: 36 31.645 2.010 0.607 0.685 0.943 0.714 CA 1.482 36 residues pruned to eliminate duplicates 6 1.717 1.093 0.354 0.133 1.000 0.400 CA 0.819 ? Z: 10 9.467 1.970 0.218 0.441 0.889 0.667 CB 1.573 10 residues pruned to eliminate duplicates Z: 8 7.082 1.632 0.728 0.471 0.857 0.429 CB 1.140 Z: 12 4.632 1.560 0.162 0.422 0.909 0.455 CB 0.920 Z: 8 3.839 1.592 0.156 0.305 1.000 0.429 CA 0.980 7 residues pruned to eliminate duplicates Z: 13 18.940 2.036 0.375 0.845 1.000 0.750 CB 1.452 13 residues pruned to eliminate duplicates Z: 21 24.095 1.984 0.845 0.730 0.950 0.600 CA 1.259 21 residues pruned to eliminate duplicates Z: 6 5.728 1.424 0.371 0.842 1.000 1.000 CA 0.977 Z: 11 8.494 1.875 0.221 0.420 1.000 0.500 CA 1.275 11 residues pruned to eliminate duplicates Z: 27 19.930 2.223 0.442 0.359 0.885 0.500 CB 1.605 27 residues pruned to eliminate duplicates Z: 16 12.891 2.152 0.399 0.340 0.933 0.667 CA 1.410 16 residues pruned to eliminate duplicates Z: 11 10.933 2.023 0.098 0.809 1.000 0.700 CA 1.189 10 residues pruned to eliminate duplicates Z: 16 7.689 1.925 0.239 0.374 0.733 0.400 CB 1.299 16 residues pruned to eliminate duplicates Z: 28 16.519 2.081 0.370 0.355 0.926 0.444 CB 1.409 28 residues pruned to eliminate duplicates Z: 18 20.557 1.987 0.652 0.698 0.941 0.706 CB 1.347 18 residues pruned to eliminate duplicates Z: 14 17.701 2.114 0.535 0.506 1.000 0.615 CA 1.504 14 residues pruned to eliminate duplicates Z: 8 5.002 1.590 0.303 0.556 0.857 0.571 N 1.008 Z: 32 30.543 2.013 0.537 0.738 0.968 0.742 CB 1.479 32 residues pruned to eliminate duplicates Z: 15 9.845 1.961 0.090 0.549 0.857 0.571 CB 1.369 15 residues pruned to eliminate duplicates Z: 10 6.452 1.708 0.231 0.813 0.667 0.444 CB 1.169 12 residues pruned to eliminate duplicates Z: 8 8.938 2.018 0.614 0.740 1.000 0.714 CA 0.837 8 residues pruned to eliminate duplicates Z: 21 24.205 2.121 0.575 0.849 0.850 0.200 CA 1.413 24 residues pruned to eliminate duplicates Z: 13 12.792 2.084 0.284 0.628 0.833 0.750 CB 1.468 13 residues pruned to eliminate duplicates Z: 17 17.188 2.007 0.434 0.541 1.000 0.500 CB 1.434 17 residues pruned to eliminate duplicates Z: 14 3.752 1.482 0.176 0.236 0.769 0.154 CB 1.055 Z: 13 8.648 2.033 0.050 0.436 1.000 0.833 CA 1.250 13 residues pruned to eliminate duplicates Z: 8 3.588 1.467 0.318 0.439 0.857 0.571 CB 0.871 6 residues pruned to eliminate duplicates Z: 9 3.908 1.442 0.131 0.345 1.000 0.250 CB 1.002 Z: 6 2.379 1.622 -0.133 0.453 0.800 0.600 CA 0.992 6 residues pruned to eliminate duplicates Z: 6 7.845 1.752 0.411 0.835 0.800 0.800 CA 1.328 6 residues pruned to eliminate duplicates Z: 12 10.147 1.867 0.363 0.566 1.000 0.455 CB 1.127 11 residues pruned to eliminate duplicates Z: 8 4.484 1.427 0.429 0.437 0.857 0.571 CB 1.034 Z: 7 5.978 1.742 0.054 0.657 1.000 1.000 CB 1.149 7 residues pruned to eliminate duplicates Z: 30 27.484 2.027 0.491 0.643 0.931 0.655 CA 1.587 30 residues pruned to eliminate duplicates Z: 8 7.791 1.957 0.100 0.812 0.714 0.286 CB 1.460 8 residues pruned to eliminate duplicates Z: 24 13.958 1.917 0.231 0.459 0.957 0.609 CA 1.345 24 residues pruned to eliminate duplicates Z: 30 18.751 1.899 0.393 0.485 0.862 0.552 CB 1.551 30 residues pruned to eliminate duplicates Z: 7 2.395 1.352 0.697 0.244 0.667 0.333 CA 0.860 Z: 18 5.010 1.587 0.514 0.236 0.647 0.235 CB 1.062 18 residues pruned to eliminate duplicates Z: 11 6.998 1.940 0.429 0.749 0.700 0.400 CB 0.913 11 residues pruned to eliminate duplicates Z: 10 12.821 2.013 0.507 0.785 0.778 0.444 CA 1.410 10 residues pruned to eliminate duplicates Z: 13 7.390 1.780 0.201 0.350 0.917 0.333 CB 1.282 13 residues pruned to eliminate duplicates Z: 20 9.405 2.091 0.224 0.374 0.737 0.474 CB 1.310 20 residues pruned to eliminate duplicates Z: 21 20.543 2.088 0.323 0.807 0.950 0.500 CA 1.340 21 residues pruned to eliminate duplicates Z: 6 3.465 1.617 -0.120 0.680 1.000 0.800 CA 0.922 6 residues pruned to eliminate duplicates Z: 13 8.766 1.749 0.202 0.534 1.000 0.583 CB 1.165 13 residues pruned to eliminate duplicates Z: 21 10.049 1.944 0.187 0.397 0.800 0.350 CB 1.357 21 residues pruned to eliminate duplicates Z: 8 5.768 1.524 0.230 0.506 0.857 0.714 O 1.349 Z: 30 15.066 1.945 0.225 0.377 0.862 0.448 CB 1.553 30 residues pruned to eliminate duplicates Z: 7 4.306 1.596 0.821 0.386 0.667 0.333 N 1.024 4 residues pruned to eliminate duplicates Z: 6 2.963 1.546 0.497 0.506 1.000 0.400 CB 0.569 Z: 23 13.320 2.071 0.513 0.301 0.864 0.500 CA 1.311 23 residues pruned to eliminate duplicates Z: 13 7.608 1.657 0.505 0.478 0.750 0.500 N 1.202 13 residues pruned to eliminate duplicates Z: 16 11.159 1.951 0.436 0.396 0.800 0.400 CA 1.435 16 residues pruned to eliminate duplicates Z: 7 9.545 1.814 0.672 0.665 1.000 0.667 N 1.102 Z: 40 20.312 2.210 0.386 0.279 0.923 0.436 CA 1.476 40 residues pruned to eliminate duplicates Z: 12 5.201 1.851 -0.125 0.315 0.909 0.455 CA 1.306 12 residues pruned to eliminate duplicates Z: 28 20.227 2.219 0.486 0.310 1.000 0.444 CA 1.458 28 residues pruned to eliminate duplicates Z: 6 3.770 1.612 0.099 0.441 0.800 0.800 CA 1.263 6 residues pruned to eliminate duplicates Z: 6 2.861 1.419 0.375 0.416 0.800 0.600 CB 0.896 Z: 7 10.185 1.887 0.456 0.703 1.000 0.333 CA 1.258 8 residues pruned to eliminate duplicates Z: 6 2.284 1.102 0.611 0.369 0.800 0.600 CB 0.828 Z: 8 2.788 1.361 0.365 0.299 1.000 0.714 CB 0.710 Z: 12 9.813 1.867 0.305 0.400 0.909 0.455 CA 1.483 12 residues pruned to eliminate duplicates 6 1.376 1.335 0.204 0.291 0.600 0.600 C 0.807 ? Z: 11 7.649 2.009 0.314 0.426 0.900 0.500 CB 1.100 11 residues pruned to eliminate duplicates Z: 13 15.080 1.955 0.185 0.844 0.917 0.500 CB 1.525 13 residues pruned to eliminate duplicates Z: 15 12.559 2.171 0.516 0.240 0.929 0.500 CB 1.484 15 residues pruned to eliminate duplicates Z: 11 13.685 1.925 0.555 0.635 0.900 0.900 CA 1.415 11 residues pruned to eliminate duplicates Z: 7 3.051 1.456 1.126 0.255 0.667 0.500 CB 0.800 Z: 8 3.524 1.546 0.170 0.597 0.714 0.571 CB 0.940 7 residues pruned to eliminate duplicates Z: 9 4.796 1.926 0.183 0.438 0.750 0.625 CB 1.058 Z: 14 5.354 1.384 0.862 0.180 0.769 0.538 CB 1.100 Z: 10 3.809 1.255 0.444 0.437 0.889 0.778 O 0.842 Z: 8 2.204 1.448 0.231 0.259 0.571 0.429 CB 1.078 Z: 17 14.241 1.964 0.510 0.842 0.875 0.562 CA 1.022 17 residues pruned to eliminate duplicates Z: 27 15.762 2.235 0.400 0.296 0.846 0.423 CA 1.467 27 residues pruned to eliminate duplicates Z: 6 7.595 2.035 0.692 0.605 0.800 0.600 CB 1.115 6 residues pruned to eliminate duplicates Z: 9 2.547 1.437 0.279 0.302 0.625 0.375 CA 0.978 7 residues pruned to eliminate duplicates Z: 8 5.415 1.879 -0.233 0.678 0.857 0.571 C 1.407 8 residues pruned to eliminate duplicates Z: 12 17.290 1.737 0.624 0.885 1.000 0.818 CA 1.335 12 residues pruned to eliminate duplicates Z: 6 3.195 1.767 -0.072 0.326 0.800 0.400 CB 1.319 Z: 6 2.813 1.381 0.419 0.297 1.000 0.400 CB 0.805 Z: 12 7.302 1.788 0.143 0.406 0.909 0.545 CA 1.307 12 residues pruned to eliminate duplicates Z: 7 2.222 1.142 0.451 0.482 0.833 0.333 CB 0.669 Z: 6 10.427 1.798 0.682 0.762 1.000 0.800 CA 1.221 Z: 6 2.571 1.508 0.762 0.385 0.600 0.400 CB 0.815 Z: 18 19.781 2.030 0.619 0.893 0.824 0.412 CB 1.272 18 residues pruned to eliminate duplicates Z: 10 5.168 1.844 0.378 0.248 0.667 0.333 O 1.360 10 residues pruned to eliminate duplicates Z: 6 5.659 1.376 0.662 0.670 1.000 0.800 CA 0.946 Z: 21 21.916 1.932 0.354 0.872 0.950 0.700 CA 1.438 21 residues pruned to eliminate duplicates Z: 6 2.184 1.596 0.238 0.454 0.800 0.600 N 0.648 9 1.690 1.473 -0.033 0.265 0.625 0.375 CB 0.877 ? Z: 9 4.464 1.576 0.476 0.405 0.625 0.625 CB 1.200 Z: 46 33.929 2.224 0.327 0.660 0.933 0.533 CB 1.583 46 residues pruned to eliminate duplicates Z: 20 27.654 1.945 0.607 0.896 1.000 0.842 CA 1.454 20 residues pruned to eliminate duplicates Z: 20 6.536 1.586 0.470 0.236 0.737 0.421 CB 1.186 20 residues pruned to eliminate duplicates Z: 12 9.572 1.868 0.408 0.419 0.818 0.727 CA 1.459 12 residues pruned to eliminate duplicates Z: 10 3.763 1.369 0.696 0.302 0.667 0.556 CB 1.010 6 0.988 1.281 0.092 0.277 0.800 0.400 CB 0.508 ? Z: 18 14.931 2.010 0.213 0.583 1.000 0.706 CB 1.371 20 residues pruned to eliminate duplicates Z: 12 6.456 1.568 0.329 0.360 0.909 0.545 CA 1.195 12 residues pruned to eliminate duplicates Z: 11 8.270 1.968 0.301 0.360 0.800 0.300 CB 1.486 11 residues pruned to eliminate duplicates Z: 6 4.655 1.499 0.152 0.524 1.000 0.600 N 1.176 6 residues pruned to eliminate duplicates Z: 15 7.718 1.829 0.108 0.420 0.857 0.500 CB 1.291 15 residues pruned to eliminate duplicates Z: 12 2.901 1.386 0.340 0.325 0.818 0.364 N 0.698 Z: 14 5.848 1.597 0.228 0.234 0.846 0.308 CA 1.331 14 residues pruned to eliminate duplicates 6 1.882 1.402 0.117 0.357 0.800 0.400 CA 0.784 ? Z: 7 12.891 1.976 0.705 0.778 1.000 0.833 CA 1.222 7 residues pruned to eliminate duplicates Z: 6 7.700 1.659 0.408 0.693 1.000 1.000 CA 1.236 Z: 7 6.531 1.872 0.418 0.377 0.833 0.500 CB 1.375 7 residues pruned to eliminate duplicates Z: 17 14.625 2.093 0.263 0.482 0.875 0.750 CA 1.610 20 residues pruned to eliminate duplicates Z: 17 8.549 2.031 0.310 0.245 0.688 0.375 CB 1.568 17 residues pruned to eliminate duplicates Z: 56 26.649 2.171 0.489 0.362 0.873 0.473 CA 1.478 56 residues pruned to eliminate duplicates 6 1.319 1.397 0.412 0.346 0.800 0.600 CB 0.442 ? Z: 51 23.233 1.881 0.430 0.606 0.920 0.620 CA 1.199 53 residues pruned to eliminate duplicates Z: 11 12.824 1.799 0.514 0.814 1.000 0.700 CA 1.132 11 residues pruned to eliminate duplicates Z: 8 4.676 1.497 0.448 0.463 0.857 0.571 CB 0.988 8 residues pruned to eliminate duplicates 6 0.837 1.404 0.297 0.201 0.400 0.200 CB 0.733 ? 6 1.831 1.459 -0.025 0.352 0.600 0.600 CB 1.125 ? Z: 26 11.553 1.833 0.313 0.367 0.880 0.480 CA 1.257 26 residues pruned to eliminate duplicates Z: 13 12.209 1.817 0.449 0.435 1.000 0.500 CB 1.431 13 residues pruned to eliminate duplicates Z: 11 14.764 2.120 0.512 0.836 0.800 0.600 CB 1.363 11 residues pruned to eliminate duplicates Z: 16 12.923 2.012 0.405 0.448 0.933 0.733 CA 1.335 17 residues pruned to eliminate duplicates Z: 6 3.220 1.574 0.050 0.467 1.000 0.800 CA 0.901 3 residues pruned to eliminate duplicates Z: 6 3.266 1.323 0.418 0.323 1.000 0.600 C 0.945 Z: 6 2.371 1.548 0.284 0.312 0.600 0.600 CA 1.095 10 residues pruned to eliminate duplicates Z: 10 2.230 1.532 0.113 0.393 0.778 0.222 CB 0.627 Z: 20 7.544 1.840 0.359 0.213 0.684 0.474 CA 1.419 20 residues pruned to eliminate duplicates Z: 8 4.564 2.014 0.294 0.184 0.714 0.429 CB 1.355 8 residues pruned to eliminate duplicates Z: 7 5.883 1.950 0.356 0.194 0.833 0.500 CB 1.570 7 residues pruned to eliminate duplicates 6 1.620 1.048 0.433 0.764 1.000 1.000 N 0.382 ? Z: 27 15.747 2.236 0.366 0.308 0.846 0.538 CA 1.478 27 residues pruned to eliminate duplicates 6 1.948 1.322 -0.160 0.345 1.000 0.200 CB 0.929 ? Z: 15 15.686 1.981 0.397 0.592 0.929 0.571 CB 1.494 15 residues pruned to eliminate duplicates Z: 10 4.046 1.696 0.344 0.308 0.667 0.333 CB 1.098 10 residues pruned to eliminate duplicates Z: 16 10.209 2.006 0.132 0.460 0.867 0.667 CA 1.396 16 residues pruned to eliminate duplicates Z: 6 2.108 1.242 0.333 0.436 0.800 0.600 CB 0.760 Z: 8 4.659 1.760 0.271 0.443 0.857 0.857 CA 0.973 Z: 9 5.240 1.723 0.161 0.518 0.875 0.250 CB 1.040 9 residues pruned to eliminate duplicates Z: 6 3.220 1.473 0.350 0.486 0.800 0.800 CB 0.918 Z: 7 2.821 1.444 0.043 0.455 0.667 0.500 CB 1.200 6 residues pruned to eliminate duplicates Z: 7 2.363 1.131 0.575 0.409 0.667 0.333 C 0.895 Z: 7 2.759 1.582 0.222 0.083 0.833 0.333 N 1.199 Z: 35 24.783 2.023 0.643 0.464 0.882 0.529 CA 1.504 35 residues pruned to eliminate duplicates Z: 7 4.403 1.575 0.398 0.384 1.000 0.333 N 0.924 Z: 30 17.175 1.990 0.459 0.423 0.897 0.448 CB 1.328 30 residues pruned to eliminate duplicates Z: 6 2.787 1.358 0.639 0.380 0.600 0.400 CA 1.061 6 residues pruned to eliminate duplicates Z: 7 2.820 1.825 -0.030 0.375 0.667 0.667 CB 1.115 5 residues pruned to eliminate duplicates Z: 10 8.320 1.919 0.335 0.648 0.889 0.556 CA 1.061 10 residues pruned to eliminate duplicates Z: 8 5.110 1.614 0.384 0.408 0.857 0.286 CB 1.111 Z: 6 3.194 1.565 0.056 0.309 0.800 0.600 CA 1.335 6 1.057 1.112 0.260 0.517 0.600 0.400 CB 0.553 ? Z: 15 12.892 2.222 0.235 0.391 0.929 0.714 CA 1.517 15 residues pruned to eliminate duplicates Z: 6 5.571 1.776 0.244 0.774 1.000 0.800 CA 0.885 5 residues pruned to eliminate duplicates 7 1.881 1.508 0.058 0.240 0.667 0.333 CA 0.976 ? Z: 9 2.913 1.766 0.132 0.254 0.500 0.375 CB 1.366 Z: 15 11.549 1.932 0.238 0.596 0.857 0.643 CB 1.373 13 residues pruned to eliminate duplicates Z: 39 22.635 2.175 0.462 0.471 0.842 0.500 CB 1.412 39 residues pruned to eliminate duplicates Z: 7 6.297 1.626 0.387 0.615 1.000 0.667 CB 1.022 5 residues pruned to eliminate duplicates Z: 28 17.735 1.964 0.634 0.497 0.778 0.444 CB 1.372 28 residues pruned to eliminate duplicates Z: 8 5.055 1.498 0.200 0.540 0.857 0.571 N 1.193 Z: 6 3.708 1.601 -0.194 0.752 1.000 0.800 CB 1.026 6 residues pruned to eliminate duplicates Z: 17 7.591 2.006 0.113 0.281 0.750 0.500 CB 1.451 17 residues pruned to eliminate duplicates Z: 21 24.918 2.136 0.543 0.856 1.000 0.700 CA 1.246 21 residues pruned to eliminate duplicates Z: 12 5.616 1.598 0.612 0.328 0.727 0.364 CA 1.092 12 residues pruned to eliminate duplicates Z: 10 14.452 1.850 0.824 0.852 0.778 0.444 CA 1.358 10 residues pruned to eliminate duplicates Z: 12 4.080 1.570 0.405 0.302 0.636 0.091 CA 1.093 Z: 9 3.548 1.606 0.240 0.449 0.500 0.250 C 1.327 Z: 9 4.838 1.500 0.371 0.451 0.875 0.750 CA 1.000 9 residues pruned to eliminate duplicates Z: 7 5.784 1.347 0.637 0.811 1.000 0.667 CB 0.817 Z: 6 4.107 1.409 0.575 0.474 0.800 0.600 CB 1.063 Z: 15 5.950 1.775 0.270 0.308 0.714 0.429 CB 1.222 15 residues pruned to eliminate duplicates Z: 20 28.557 2.146 0.711 0.881 0.895 0.474 CB 1.444 20 residues pruned to eliminate duplicates Z: 6 5.941 1.655 0.342 0.565 1.000 0.800 CB 1.122 6 residues pruned to eliminate duplicates Z: 7 2.959 1.416 -0.158 0.605 1.000 0.667 C 0.917 Z: 10 8.685 1.745 0.543 0.613 0.889 0.667 CA 1.086 10 residues pruned to eliminate duplicates Z: 11 11.043 1.911 0.578 0.484 1.000 0.700 CA 1.176 11 residues pruned to eliminate duplicates Z: 7 2.608 1.776 -0.094 0.375 0.667 0.333 CB 1.134 Z: 38 13.568 1.783 0.406 0.344 0.838 0.405 CB 1.258 34 residues pruned to eliminate duplicates Z: 11 8.281 1.769 0.552 0.369 0.800 0.700 CB 1.373 11 residues pruned to eliminate duplicates Z: 9 5.625 1.706 0.420 0.405 0.750 0.625 CA 1.209 9 residues pruned to eliminate duplicates Z: 21 32.894 2.180 0.826 0.901 0.950 0.550 CB 1.388 21 residues pruned to eliminate duplicates Z: 46 32.496 1.977 0.643 0.593 0.933 0.578 CA 1.462 43 residues pruned to eliminate duplicates Z: 9 9.842 2.214 0.410 0.428 0.875 0.375 CB 1.373 9 residues pruned to eliminate duplicates Z: 16 14.615 1.810 0.403 0.817 0.867 0.600 CA 1.301 16 residues pruned to eliminate duplicates Z: 17 19.593 1.962 0.513 0.630 1.000 0.688 CA 1.460 17 residues pruned to eliminate duplicates Z: 7 4.727 1.553 0.300 0.576 0.833 0.667 N 1.066 7 residues pruned to eliminate duplicates 6 1.304 1.219 0.245 0.470 0.600 0.400 CA 0.660 ? Z: 17 9.120 1.582 0.645 0.413 0.875 0.438 CA 1.097 17 residues pruned to eliminate duplicates Z: 15 17.185 2.110 0.511 0.547 1.000 0.643 CA 1.376 15 residues pruned to eliminate duplicates Z: 8 3.679 1.262 0.551 0.410 0.857 0.429 CA 0.910 6 1.407 1.230 0.697 0.477 0.800 0.400 CA 0.386 ? 6 1.719 1.223 0.422 0.300 0.600 0.400 CB 0.921 ? 6 1.272 1.351 0.035 0.454 0.600 0.600 N 0.710 ? Z: 7 2.007 1.119 0.409 0.514 0.833 0.500 CB 0.615 Z: 6 4.314 1.722 0.122 0.459 1.000 0.200 CA 1.041 6 residues pruned to eliminate duplicates Z: 8 3.809 1.632 0.169 0.616 0.714 0.571 CB 0.947 Z: 15 19.449 2.077 0.534 0.873 1.000 0.571 CB 1.187 15 residues pruned to eliminate duplicates 6 1.541 1.471 0.156 0.403 0.400 0.400 CB 1.122 ? Z: 13 3.677 1.577 -0.031 0.274 0.833 0.417 CB 1.077 Z: 29 18.035 2.083 0.445 0.321 0.964 0.464 CA 1.430 29 residues pruned to eliminate duplicates Z: 7 2.433 1.375 0.414 0.179 0.833 0.333 N 0.902 Using tripeptides from previous cycle as seeds Z: 17 6.531 1.563 0.697 0.267 0.750 0.438 CA 1.070 8 residues pruned to eliminate duplicates Z: 10 5.679 1.321 0.746 0.532 0.889 0.444 C 0.895 8 residues pruned to eliminate duplicates Z: 10 8.176 1.505 0.776 0.513 0.889 0.444 CB 1.132 10 residues pruned to eliminate duplicates Z: 10 7.923 1.771 0.648 0.408 0.778 0.444 CA 1.281 10 residues pruned to eliminate duplicates Z: 8 3.333 1.672 0.017 0.332 0.857 0.571 CA 1.039 8 residues pruned to eliminate duplicates Z: 8 4.173 1.739 0.242 0.273 0.857 0.571 CB 1.102 8 residues pruned to eliminate duplicates Z: 9 4.502 1.637 0.280 0.246 1.000 0.625 CB 1.019 10 residues pruned to eliminate duplicates Z: 6 2.273 1.432 0.308 0.381 0.800 0.400 CB 0.770 6 residues pruned to eliminate duplicates Z: 12 6.549 1.718 0.493 0.329 0.727 0.364 N 1.276 9 residues pruned to eliminate duplicates Z: 7 8.225 1.757 0.853 0.561 1.000 0.333 CB 0.972 6 residues pruned to eliminate duplicates Z: 7 8.410 1.695 0.608 0.561 1.000 0.833 CA 1.188 7 residues pruned to eliminate duplicates Z: 6 5.445 1.556 0.598 0.849 1.000 0.400 CB 0.726 5 residues pruned to eliminate duplicates Z: 7 8.079 1.874 0.369 0.709 1.000 0.500 CA 1.063 7 residues pruned to eliminate duplicates Z: 8 6.030 1.778 0.561 0.492 0.714 0.571 CA 1.160 8 residues pruned to eliminate duplicates Z: 15 12.249 1.886 0.375 0.481 0.929 0.500 CA 1.386 15 residues pruned to eliminate duplicates Z: 8 5.903 1.863 0.299 0.689 0.857 0.143 CA 0.904 8 residues pruned to eliminate duplicates Z: 11 11.251 1.956 0.266 0.601 1.000 0.500 CA 1.304 11 residues pruned to eliminate duplicates Z: 14 11.492 1.858 0.458 0.474 0.846 0.308 CB 1.427 15 residues pruned to eliminate duplicates Z: 6 3.863 1.624 0.317 0.344 0.800 0.200 CA 1.197 6 residues pruned to eliminate duplicates Z: 24 8.995 2.007 0.351 0.251 0.652 0.478 CB 1.411 24 residues pruned to eliminate duplicates Z: 21 11.210 2.007 0.484 0.315 0.700 0.500 CB 1.475 21 residues pruned to eliminate duplicates Z: 19 13.050 2.056 0.515 0.335 0.778 0.389 CB 1.521 19 residues pruned to eliminate duplicates Z: 24 13.347 2.008 0.597 0.327 0.696 0.478 CA 1.508 24 residues pruned to eliminate duplicates Z: 25 12.155 1.951 0.481 0.317 0.708 0.417 CB 1.484 24 residues pruned to eliminate duplicates Z: 6 4.032 1.439 0.587 0.438 0.800 0.400 CB 1.053 6 residues pruned to eliminate duplicates Z: 7 3.712 1.911 0.148 0.083 0.833 0.333 CB 1.420 7 residues pruned to eliminate duplicates Z: 17 16.588 2.065 0.342 0.553 0.938 0.625 CB 1.516 17 residues pruned to eliminate duplicates Z: 18 16.180 2.075 0.190 0.518 1.000 0.706 CA 1.561 18 residues pruned to eliminate duplicates Z: 20 15.889 2.033 0.279 0.498 0.947 0.684 CB 1.481 20 residues pruned to eliminate duplicates Z: 18 18.487 2.094 0.379 0.557 1.000 0.706 CA 1.469 18 residues pruned to eliminate duplicates Z: 6 5.102 1.407 1.085 0.407 1.000 0.600 N 0.858 6 residues pruned to eliminate duplicates Z: 17 16.839 2.077 0.322 0.543 0.938 0.625 CB 1.567 17 residues pruned to eliminate duplicates Z: 21 15.862 2.035 0.267 0.459 0.950 0.600 CA 1.509 21 residues pruned to eliminate duplicates Z: 17 15.092 2.071 0.254 0.486 1.000 0.750 CB 1.473 17 residues pruned to eliminate duplicates Z: 19 17.355 2.002 0.402 0.516 0.944 0.611 CA 1.518 19 residues pruned to eliminate duplicates Z: 18 18.181 2.083 0.356 0.527 1.000 0.588 CB 1.520 18 residues pruned to eliminate duplicates Z: 7 6.064 1.556 0.529 0.478 1.000 0.833 CA 1.064 8 residues pruned to eliminate duplicates Z: 20 16.188 1.986 0.349 0.465 0.947 0.632 CB 1.516 17 residues pruned to eliminate duplicates Z: 6 3.854 1.535 0.340 0.432 1.000 0.400 CA 0.899 6 residues pruned to eliminate duplicates Z: 10 12.994 2.046 0.394 0.570 0.889 0.778 C 1.597 10 residues pruned to eliminate duplicates Z: 7 5.463 1.527 0.669 0.383 0.833 0.833 N 1.189 7 residues pruned to eliminate duplicates Z: 11 10.638 1.937 0.472 0.499 0.800 0.500 CA 1.478 11 residues pruned to eliminate duplicates Z: 10 12.537 2.065 0.335 0.537 0.889 0.444 C 1.645 10 residues pruned to eliminate duplicates 7 1.735 1.482 0.054 0.421 0.667 0.167 CB 0.738 ? Z: 9 6.150 1.761 0.400 0.601 0.750 0.250 CB 1.068 Z: 9 6.296 1.698 0.533 0.499 0.875 0.250 CB 0.978 8 residues pruned to eliminate duplicates Z: 7 5.809 1.812 0.320 0.689 0.833 0.500 CB 1.001 7 residues pruned to eliminate duplicates Z: 21 8.527 1.714 0.328 0.415 0.850 0.350 CB 1.077 19 residues pruned to eliminate duplicates Z: 10 6.475 1.604 0.441 0.605 0.778 0.222 CB 1.086 10 residues pruned to eliminate duplicates Z: 19 10.159 1.769 0.436 0.472 0.944 0.389 CB 1.027 21 residues pruned to eliminate duplicates Z: 7 4.638 1.371 0.358 0.711 0.833 0.667 CA 1.008 7 residues pruned to eliminate duplicates Z: 10 4.927 1.644 0.146 0.370 0.889 0.667 CB 1.127 7 residues pruned to eliminate duplicates Z: 8 7.313 1.692 0.377 0.542 1.000 0.714 CB 1.139 10 residues pruned to eliminate duplicates Z: 6 5.294 1.674 0.410 0.541 1.000 0.000 CA 0.964 6 residues pruned to eliminate duplicates Z: 9 7.442 1.974 0.198 0.390 0.875 0.625 CB 1.429 9 residues pruned to eliminate duplicates Z: 11 6.136 1.707 0.240 0.374 0.800 0.500 CA 1.311 11 residues pruned to eliminate duplicates Z: 9 6.447 1.966 0.187 0.441 0.750 0.500 CB 1.384 9 residues pruned to eliminate duplicates Z: 7 8.850 2.095 0.329 0.428 1.000 0.667 CB 1.398 9 residues pruned to eliminate duplicates Z: 6 2.590 1.584 0.306 0.374 0.600 0.200 CB 1.067 6 residues pruned to eliminate duplicates Z: 7 8.404 1.679 0.915 0.509 0.833 0.667 CA 1.268 7 residues pruned to eliminate duplicates Z: 11 11.725 1.963 0.689 0.522 0.900 0.500 CB 1.216 11 residues pruned to eliminate duplicates Z: 28 21.834 1.939 0.674 0.641 0.963 0.704 CA 1.179 28 residues pruned to eliminate duplicates Z: 16 12.639 1.835 0.785 0.456 0.867 0.533 CB 1.203 16 residues pruned to eliminate duplicates Z: 29 25.242 2.137 0.484 0.743 0.893 0.643 CA 1.355 29 residues pruned to eliminate duplicates Z: 16 16.561 2.079 0.360 0.813 0.933 0.600 CA 1.233 16 residues pruned to eliminate duplicates Z: 33 25.518 2.008 0.622 0.687 0.969 0.531 CA 1.204 28 residues pruned to eliminate duplicates Z: 16 12.936 1.937 0.237 0.883 1.000 0.667 CA 1.007 16 residues pruned to eliminate duplicates Z: 33 23.519 2.024 0.631 0.654 0.938 0.625 CA 1.164 38 residues pruned to eliminate duplicates Z: 20 17.588 2.023 0.403 0.877 0.947 0.684 CA 1.089 20 residues pruned to eliminate duplicates Z: 18 19.223 2.113 0.503 0.908 0.941 0.588 CA 1.108 18 residues pruned to eliminate duplicates Z: 19 19.678 2.089 0.487 0.917 0.944 0.778 CA 1.115 19 residues pruned to eliminate duplicates Z: 34 22.420 2.019 0.452 0.652 1.000 0.758 CA 1.156 34 residues pruned to eliminate duplicates Z: 37 23.723 1.978 0.477 0.663 0.917 0.639 CA 1.270 33 residues pruned to eliminate duplicates Z: 12 11.751 2.064 0.557 0.853 0.909 0.818 CA 0.896 12 residues pruned to eliminate duplicates Z: 33 22.930 2.024 0.429 0.659 0.906 0.719 CA 1.334 33 residues pruned to eliminate duplicates Z: 28 26.061 2.082 0.713 0.660 0.889 0.481 CA 1.363 28 residues pruned to eliminate duplicates Z: 15 15.596 2.113 0.516 0.826 0.929 0.571 CA 1.057 15 residues pruned to eliminate duplicates Z: 25 20.274 2.007 0.502 0.692 0.875 0.292 CA 1.316 25 residues pruned to eliminate duplicates Z: 14 16.778 2.106 0.594 0.818 0.923 0.308 CA 1.139 14 residues pruned to eliminate duplicates Z: 33 19.109 1.961 0.477 0.594 0.812 0.438 CA 1.312 33 residues pruned to eliminate duplicates Z: 22 19.664 2.065 0.494 0.706 0.857 0.381 CA 1.344 22 residues pruned to eliminate duplicates Z: 39 22.986 1.952 0.461 0.582 0.921 0.632 CA 1.312 39 residues pruned to eliminate duplicates Z: 10 6.692 1.910 0.158 0.398 1.000 0.778 CB 1.122 10 residues pruned to eliminate duplicates Z: 29 20.950 2.016 0.503 0.673 0.893 0.500 CA 1.247 29 residues pruned to eliminate duplicates Z: 39 27.409 2.030 0.585 0.628 0.895 0.368 CA 1.369 39 residues pruned to eliminate duplicates Z: 14 13.923 2.049 0.245 0.675 1.000 0.538 CA 1.289 14 residues pruned to eliminate duplicates Z: 38 26.579 2.032 0.570 0.652 0.946 0.622 CA 1.256 38 residues pruned to eliminate duplicates Z: 21 13.203 1.952 0.174 0.572 0.950 0.650 CA 1.266 21 residues pruned to eliminate duplicates Z: 18 16.206 2.045 0.357 0.588 0.941 0.471 CB 1.383 19 residues pruned to eliminate duplicates Z: 12 10.207 1.990 0.194 0.704 0.818 0.364 CA 1.315 12 residues pruned to eliminate duplicates Z: 18 13.777 2.040 0.258 0.586 0.882 0.412 CA 1.359 18 residues pruned to eliminate duplicates Z: 18 11.196 2.022 0.175 0.516 0.882 0.588 CA 1.275 18 residues pruned to eliminate duplicates Z: 51 26.157 1.995 0.560 0.620 0.820 0.540 CA 1.294 51 residues pruned to eliminate duplicates Z: 48 33.955 2.032 0.512 0.626 0.936 0.702 CA 1.530 53 residues pruned to eliminate duplicates Z: 11 13.664 2.063 0.359 0.770 0.900 0.500 CA 1.348 11 residues pruned to eliminate duplicates Z: 46 28.772 2.046 0.549 0.626 0.889 0.467 CA 1.352 46 residues pruned to eliminate duplicates Z: 16 12.973 2.056 0.106 0.631 0.933 0.533 CA 1.396 16 residues pruned to eliminate duplicates Z: 23 15.436 1.989 0.265 0.519 0.955 0.409 CA 1.345 23 residues pruned to eliminate duplicates Z: 9 4.328 1.738 0.487 0.194 0.750 0.625 CB 1.137 9 residues pruned to eliminate duplicates Z: 19 13.305 2.012 0.105 0.608 0.889 0.556 CA 1.433 19 residues pruned to eliminate duplicates Z: 11 9.465 1.803 0.887 0.479 0.800 0.600 CB 1.123 11 residues pruned to eliminate duplicates Z: 12 7.704 1.872 0.456 0.328 0.818 0.455 CB 1.258 12 residues pruned to eliminate duplicates Z: 28 18.469 1.908 0.518 0.449 0.926 0.444 CB 1.397 28 residues pruned to eliminate duplicates Z: 11 11.618 1.996 0.898 0.375 0.800 0.200 CA 1.385 11 residues pruned to eliminate duplicates Z: 42 27.543 1.966 0.536 0.572 0.927 0.634 CA 1.434 42 residues pruned to eliminate duplicates Z: 10 7.164 2.070 0.527 0.298 0.667 0.444 CA 1.420 10 residues pruned to eliminate duplicates Z: 47 26.536 1.979 0.505 0.591 0.870 0.674 CA 1.385 47 residues pruned to eliminate duplicates Z: 38 28.749 2.025 0.450 0.587 0.946 0.649 CB 1.566 38 residues pruned to eliminate duplicates Z: 37 26.716 1.971 0.332 0.628 0.972 0.611 CA 1.546 37 residues pruned to eliminate duplicates Z: 20 11.615 2.010 0.267 0.376 1.000 0.579 CB 1.195 20 residues pruned to eliminate duplicates Z: 39 26.496 1.971 0.463 0.591 0.921 0.632 CB 1.483 39 residues pruned to eliminate duplicates Z: 40 31.162 2.051 0.576 0.580 0.923 0.590 CB 1.549 40 residues pruned to eliminate duplicates Z: 35 23.425 2.008 0.384 0.609 0.882 0.706 CB 1.478 35 residues pruned to eliminate duplicates Z: 39 27.744 1.994 0.607 0.582 0.921 0.658 CB 1.409 39 residues pruned to eliminate duplicates Z: 15 15.206 2.051 0.561 0.495 0.929 0.786 CA 1.374 15 residues pruned to eliminate duplicates Z: 43 33.408 2.014 0.721 0.584 0.905 0.619 CA 1.516 43 residues pruned to eliminate duplicates Z: 19 12.165 2.034 0.401 0.434 0.833 0.611 CA 1.293 19 residues pruned to eliminate duplicates Z: 28 33.145 2.131 0.545 0.702 0.963 0.778 CA 1.673 28 residues pruned to eliminate duplicates Z: 37 26.744 1.959 0.516 0.623 0.972 0.667 CA 1.374 37 residues pruned to eliminate duplicates Z: 23 31.447 2.058 0.835 0.802 0.864 0.591 CA 1.579 23 residues pruned to eliminate duplicates Z: 39 34.169 2.044 0.640 0.567 0.947 0.553 CA 1.636 39 residues pruned to eliminate duplicates Z: 43 31.819 1.998 0.579 0.574 0.929 0.524 CB 1.560 36 residues pruned to eliminate duplicates Z: 22 32.319 2.020 0.704 0.888 0.952 0.714 CA 1.550 22 residues pruned to eliminate duplicates Z: 40 33.753 2.033 0.666 0.618 0.923 0.564 CA 1.546 40 residues pruned to eliminate duplicates Z: 39 37.683 2.059 0.788 0.635 0.921 0.579 CA 1.588 39 residues pruned to eliminate duplicates Z: 40 33.613 2.009 0.646 0.604 0.974 0.564 CA 1.512 40 residues pruned to eliminate duplicates Z: 39 33.006 2.022 0.657 0.615 0.921 0.579 CB 1.556 39 residues pruned to eliminate duplicates Z: 41 32.677 2.039 0.719 0.586 0.850 0.600 CB 1.597 41 residues pruned to eliminate duplicates Z: 44 27.968 1.955 0.671 0.534 0.837 0.512 CB 1.508 44 residues pruned to eliminate duplicates Z: 17 21.167 1.826 0.801 0.694 0.938 0.500 N 1.437 20 residues pruned to eliminate duplicates Z: 23 38.181 2.016 0.773 0.886 1.000 0.409 CB 1.642 27 residues pruned to eliminate duplicates Z: 21 35.149 2.104 0.757 0.884 0.950 0.550 CB 1.617 21 residues pruned to eliminate duplicates Z: 18 23.979 1.979 0.701 0.685 0.882 0.412 CA 1.652 13 residues pruned to eliminate duplicates Z: 42 33.926 2.006 0.793 0.618 0.854 0.439 CB 1.543 42 residues pruned to eliminate duplicates Z: 39 34.620 2.062 0.742 0.607 0.895 0.526 CA 1.579 39 residues pruned to eliminate duplicates Z: 39 39.476 2.038 0.829 0.639 0.947 0.500 CB 1.592 39 residues pruned to eliminate duplicates Z: 43 29.153 1.997 0.646 0.598 0.881 0.548 CB 1.414 43 residues pruned to eliminate duplicates Z: 40 24.070 1.993 0.516 0.533 0.846 0.590 CB 1.461 40 residues pruned to eliminate duplicates Z: 46 29.681 1.956 0.654 0.643 0.822 0.378 CB 1.455 46 residues pruned to eliminate duplicates Z: 40 31.823 2.050 0.656 0.629 0.872 0.487 CB 1.525 40 residues pruned to eliminate duplicates Z: 31 30.424 1.988 0.848 0.659 0.933 0.500 CB 1.398 31 residues pruned to eliminate duplicates Z: 21 12.939 1.811 0.527 0.612 0.700 0.200 CA 1.345 21 residues pruned to eliminate duplicates Z: 10 13.617 2.002 0.517 0.462 1.000 0.778 CA 1.554 8 residues pruned to eliminate duplicates Z: 6 4.160 1.561 0.402 0.273 1.000 0.600 CA 1.100 6 residues pruned to eliminate duplicates Z: 13 11.184 1.685 0.867 0.395 0.917 0.417 CA 1.250 13 residues pruned to eliminate duplicates Z: 9 9.734 1.936 0.576 0.445 0.875 0.625 CA 1.363 9 residues pruned to eliminate duplicates Z: 9 13.353 2.050 0.676 0.436 1.000 0.625 CB 1.468 9 residues pruned to eliminate duplicates Z: 10 9.902 1.888 0.644 0.431 0.778 0.444 CA 1.469 10 residues pruned to eliminate duplicates Z: 11 8.939 1.985 0.243 0.470 0.800 0.500 CA 1.478 11 residues pruned to eliminate duplicates Z: 16 13.158 2.063 0.518 0.325 0.933 0.267 CB 1.409 16 residues pruned to eliminate duplicates Z: 28 19.267 2.214 0.480 0.289 0.926 0.370 CA 1.550 28 residues pruned to eliminate duplicates Z: 14 10.586 1.950 0.671 0.372 0.769 0.231 CB 1.343 13 residues pruned to eliminate duplicates Z: 9 4.960 1.889 0.187 0.394 0.750 0.250 CB 1.166 9 residues pruned to eliminate duplicates Z: 57 27.848 2.190 0.439 0.307 0.911 0.446 CB 1.607 58 residues pruned to eliminate duplicates Z: 6 2.896 1.380 0.617 0.323 0.800 0.400 C 0.882 6 residues pruned to eliminate duplicates Z: 34 18.278 2.184 0.357 0.275 0.909 0.455 CA 1.523 34 residues pruned to eliminate duplicates Z: 27 24.019 2.313 0.608 0.304 0.962 0.462 CA 1.638 27 residues pruned to eliminate duplicates Z: 28 15.721 2.241 0.312 0.270 0.852 0.556 CA 1.569 28 residues pruned to eliminate duplicates Z: 21 14.548 2.227 0.595 0.228 0.850 0.400 CA 1.480 21 residues pruned to eliminate duplicates Z: 29 18.067 2.222 0.451 0.266 0.929 0.464 CA 1.489 29 residues pruned to eliminate duplicates Z: 28 15.841 2.192 0.398 0.230 0.852 0.519 CA 1.600 28 residues pruned to eliminate duplicates Z: 30 16.128 2.147 0.478 0.260 0.862 0.483 CA 1.440 30 residues pruned to eliminate duplicates Z: 29 21.410 2.205 0.460 0.342 1.000 0.536 CA 1.494 29 residues pruned to eliminate duplicates Z: 26 16.721 2.169 0.561 0.256 0.880 0.400 CA 1.485 26 residues pruned to eliminate duplicates Z: 29 15.555 2.179 0.452 0.227 0.857 0.393 CA 1.492 29 residues pruned to eliminate duplicates Z: 29 17.416 2.195 0.361 0.319 0.893 0.464 CA 1.508 29 residues pruned to eliminate duplicates Z: 29 19.386 2.194 0.528 0.315 0.893 0.393 CA 1.502 29 residues pruned to eliminate duplicates Z: 29 17.409 2.213 0.463 0.289 0.893 0.429 CA 1.443 29 residues pruned to eliminate duplicates Z: 29 18.409 2.236 0.542 0.264 0.893 0.464 CA 1.480 29 residues pruned to eliminate duplicates Z: 57 25.364 2.171 0.413 0.302 0.875 0.411 CB 1.573 57 residues pruned to eliminate duplicates Z: 15 8.145 2.102 0.058 0.240 0.857 0.357 CA 1.543 15 residues pruned to eliminate duplicates Z: 29 19.125 2.215 0.487 0.293 0.964 0.357 CA 1.434 29 residues pruned to eliminate duplicates Z: 24 15.285 2.236 0.481 0.244 0.870 0.435 CA 1.487 24 residues pruned to eliminate duplicates Z: 59 23.267 2.158 0.355 0.311 0.810 0.431 CB 1.591 59 residues pruned to eliminate duplicates Z: 56 26.966 2.195 0.434 0.326 0.891 0.418 CB 1.570 56 residues pruned to eliminate duplicates Z: 61 23.652 2.151 0.361 0.309 0.850 0.450 CB 1.516 61 residues pruned to eliminate duplicates Z: 23 17.008 2.075 0.357 0.402 0.955 0.409 CA 1.496 23 residues pruned to eliminate duplicates Z: 14 14.162 2.096 0.346 0.453 1.000 0.538 CA 1.460 14 residues pruned to eliminate duplicates Z: 25 14.188 2.059 0.430 0.327 0.792 0.375 CA 1.502 25 residues pruned to eliminate duplicates Z: 30 14.379 2.060 0.285 0.327 0.793 0.448 CB 1.537 30 residues pruned to eliminate duplicates Z: 30 15.023 2.078 0.385 0.325 0.793 0.483 CB 1.482 30 residues pruned to eliminate duplicates Z: 31 17.536 2.110 0.418 0.344 0.867 0.533 CB 1.463 31 residues pruned to eliminate duplicates Z: 39 17.145 1.965 0.436 0.272 0.895 0.368 CA 1.427 39 residues pruned to eliminate duplicates Z: 24 16.369 2.136 0.444 0.350 0.870 0.522 CA 1.496 24 residues pruned to eliminate duplicates Z: 35 14.622 2.042 0.269 0.299 0.794 0.294 CB 1.525 35 residues pruned to eliminate duplicates Z: 32 16.912 2.026 0.355 0.361 0.871 0.516 CB 1.475 32 residues pruned to eliminate duplicates Z: 31 15.133 2.052 0.354 0.332 0.833 0.300 CB 1.434 31 residues pruned to eliminate duplicates Z: 24 15.542 2.100 0.415 0.369 0.870 0.478 CA 1.443 24 residues pruned to eliminate duplicates Z: 25 12.978 2.051 0.366 0.338 0.833 0.500 CA 1.354 25 residues pruned to eliminate duplicates Z: 30 17.116 2.110 0.362 0.341 0.862 0.414 CB 1.526 30 residues pruned to eliminate duplicates Z: 31 14.651 2.040 0.242 0.320 0.867 0.400 CB 1.486 31 residues pruned to eliminate duplicates Z: 29 17.471 2.111 0.362 0.361 0.929 0.393 CB 1.437 29 residues pruned to eliminate duplicates Z: 35 15.817 2.069 0.305 0.314 0.853 0.324 CB 1.446 35 residues pruned to eliminate duplicates Z: 28 17.302 2.142 0.344 0.383 0.852 0.556 CB 1.537 28 residues pruned to eliminate duplicates Z: 57 25.912 2.182 0.390 0.297 0.893 0.464 CA 1.606 57 residues pruned to eliminate duplicates Z: 18 9.241 1.982 0.335 0.336 0.765 0.529 CB 1.326 18 residues pruned to eliminate duplicates Z: 21 11.413 2.132 0.278 0.315 0.750 0.350 CB 1.533 21 residues pruned to eliminate duplicates Z: 36 15.480 2.060 0.323 0.319 0.771 0.343 CB 1.519 36 residues pruned to eliminate duplicates Z: 39 13.486 2.006 0.361 0.268 0.737 0.368 CB 1.415 39 residues pruned to eliminate duplicates Z: 20 8.593 2.134 0.136 0.253 0.684 0.158 CB 1.579 20 residues pruned to eliminate duplicates Z: 29 7.878 1.981 0.132 0.281 0.643 0.250 CB 1.323 29 residues pruned to eliminate duplicates 6 0.463 2.025 -0.252 0.219 0.800 0.200 CB 0.238 ? Z: 9 3.964 2.065 0.528 0.228 0.500 0.250 CB 1.221 9 residues pruned to eliminate duplicates Z: 34 15.614 2.115 0.292 0.315 0.818 0.364 CB 1.491 34 residues pruned to eliminate duplicates Z: 24 9.161 2.068 0.313 0.298 0.652 0.348 CB 1.351 24 residues pruned to eliminate duplicates Z: 8 6.427 2.266 0.351 0.271 0.714 0.429 CB 1.442 8 residues pruned to eliminate duplicates Z: 6 3.394 1.930 0.125 0.355 0.600 0.400 N 1.362 6 residues pruned to eliminate duplicates Z: 10 6.574 2.109 0.106 0.299 0.778 0.222 CB 1.512 10 residues pruned to eliminate duplicates Z: 104 43.397 2.173 0.452 0.473 0.903 0.563 CB 1.542 104 residues pruned to eliminate duplicates Z: 57 37.420 2.256 0.340 0.614 0.911 0.536 CB 1.631 57 residues pruned to eliminate duplicates Z: 24 30.846 2.250 0.487 0.699 0.957 0.696 CA 1.677 24 residues pruned to eliminate duplicates Z: 9 9.296 2.020 0.530 0.505 0.875 0.625 CA 1.209 9 residues pruned to eliminate duplicates Z: 21 25.601 2.259 0.501 0.594 0.950 0.700 CA 1.624 21 residues pruned to eliminate duplicates Z: 26 27.726 2.186 0.610 0.564 0.960 0.680 CA 1.543 26 residues pruned to eliminate duplicates Z: 53 32.084 2.273 0.260 0.563 0.904 0.596 CB 1.617 53 residues pruned to eliminate duplicates Z: 45 30.961 2.251 0.347 0.610 0.864 0.568 CB 1.607 45 residues pruned to eliminate duplicates Z: 35 32.865 2.159 0.454 0.677 0.941 0.588 CB 1.621 35 residues pruned to eliminate duplicates Z: 40 36.419 2.191 0.514 0.644 0.974 0.590 CB 1.576 40 residues pruned to eliminate duplicates Z: 30 35.927 2.310 0.529 0.681 0.966 0.552 CA 1.656 30 residues pruned to eliminate duplicates Z: 83 44.563 2.225 0.492 0.547 0.915 0.488 CB 1.548 83 residues pruned to eliminate duplicates Z: 32 34.869 2.211 0.619 0.648 0.903 0.484 CB 1.687 32 residues pruned to eliminate duplicates Z: 36 38.732 2.282 0.509 0.714 0.971 0.514 CB 1.612 36 residues pruned to eliminate duplicates Z: 60 27.972 2.063 0.395 0.487 0.864 0.373 CB 1.484 60 residues pruned to eliminate duplicates Z: 21 23.895 2.295 0.582 0.555 0.850 0.350 CA 1.641 21 residues pruned to eliminate duplicates Z: 34 27.744 2.122 0.432 0.664 0.848 0.333 CB 1.609 34 residues pruned to eliminate duplicates Z: 29 34.856 2.285 0.521 0.715 0.929 0.464 CB 1.680 29 residues pruned to eliminate duplicates Z: 48 35.246 2.227 0.513 0.633 0.872 0.489 CB 1.544 48 residues pruned to eliminate duplicates Z: 41 32.916 2.195 0.503 0.592 0.900 0.425 CB 1.606 41 residues pruned to eliminate duplicates Z: 24 38.559 2.241 0.764 0.785 0.913 0.435 CB 1.733 24 residues pruned to eliminate duplicates Z: 30 29.127 2.240 0.568 0.650 0.897 0.414 CB 1.493 30 residues pruned to eliminate duplicates Z: 34 33.047 2.157 0.773 0.634 0.879 0.333 CB 1.509 34 residues pruned to eliminate duplicates Z: 43 39.737 2.264 0.559 0.663 0.905 0.452 CB 1.652 43 residues pruned to eliminate duplicates Z: 77 35.416 2.184 0.441 0.491 0.829 0.434 CB 1.572 77 residues pruned to eliminate duplicates Z: 40 35.990 2.215 0.667 0.606 0.923 0.410 CB 1.529 40 residues pruned to eliminate duplicates Z: 23 28.937 2.304 0.624 0.630 0.909 0.455 CB 1.605 23 residues pruned to eliminate duplicates Z: 38 35.090 2.266 0.588 0.605 0.919 0.541 CB 1.579 38 residues pruned to eliminate duplicates Z: 45 40.087 2.255 0.560 0.653 0.886 0.523 CB 1.681 45 residues pruned to eliminate duplicates Z: 44 40.267 2.204 0.641 0.619 0.953 0.372 CB 1.592 44 residues pruned to eliminate duplicates Z: 40 44.005 2.322 0.742 0.689 0.897 0.513 CB 1.632 40 residues pruned to eliminate duplicates Z: 43 42.361 2.295 0.586 0.626 0.952 0.405 CB 1.675 43 residues pruned to eliminate duplicates Z: 42 38.561 2.287 0.582 0.647 0.878 0.439 CB 1.653 42 residues pruned to eliminate duplicates Z: 57 32.293 2.193 0.464 0.522 0.911 0.429 CB 1.443 57 residues pruned to eliminate duplicates Z: 43 35.856 2.273 0.586 0.631 0.881 0.548 CB 1.541 43 residues pruned to eliminate duplicates Z: 36 39.860 2.304 0.759 0.644 0.914 0.457 CB 1.590 36 residues pruned to eliminate duplicates Z: 72 47.248 2.242 0.558 0.610 0.901 0.479 CB 1.605 72 residues pruned to eliminate duplicates Z: 43 42.305 2.297 0.614 0.642 0.905 0.452 CB 1.704 43 residues pruned to eliminate duplicates Z: 47 39.949 2.283 0.527 0.636 0.913 0.391 CB 1.630 47 residues pruned to eliminate duplicates Z: 50 45.013 2.306 0.616 0.632 0.939 0.367 CB 1.624 50 residues pruned to eliminate duplicates Z: 59 39.960 2.251 0.515 0.580 0.862 0.431 CB 1.652 59 residues pruned to eliminate duplicates Z: 52 35.646 2.273 0.491 0.585 0.863 0.431 CB 1.573 52 residues pruned to eliminate duplicates Z: 46 39.237 2.285 0.545 0.613 0.911 0.444 CB 1.634 46 residues pruned to eliminate duplicates Z: 10 17.250 2.327 0.527 0.409 1.000 0.444 CA 1.780 10 residues pruned to eliminate duplicates Z: 9 14.523 2.145 0.673 0.379 1.000 0.250 CA 1.628 9 residues pruned to eliminate duplicates Z: 53 45.196 2.279 0.678 0.589 0.923 0.404 CB 1.631 53 residues pruned to eliminate duplicates Z: 94 47.464 2.212 0.546 0.524 0.882 0.462 CB 1.594 94 residues pruned to eliminate duplicates Z: 47 31.168 2.184 0.580 0.497 0.848 0.543 CB 1.575 47 residues pruned to eliminate duplicates Z: 52 46.426 2.288 0.615 0.623 0.961 0.431 CB 1.631 52 residues pruned to eliminate duplicates Z: 71 48.975 2.258 0.579 0.591 0.957 0.557 CB 1.572 71 residues pruned to eliminate duplicates Z: 22 17.875 2.135 0.592 0.406 0.857 0.619 CB 1.477 22 residues pruned to eliminate duplicates Z: 54 36.305 2.250 0.494 0.595 0.887 0.472 CB 1.527 54 residues pruned to eliminate duplicates Z: 64 36.653 2.238 0.522 0.575 0.857 0.476 CB 1.472 64 residues pruned to eliminate duplicates Z: 93 48.482 2.236 0.510 0.536 0.902 0.489 CB 1.602 93 residues pruned to eliminate duplicates Z: 25 19.759 1.958 0.615 0.480 0.917 0.708 CB 1.420 25 residues pruned to eliminate duplicates Z: 31 27.264 2.181 0.655 0.511 0.900 0.533 CB 1.517 31 residues pruned to eliminate duplicates Z: 70 47.483 2.221 0.624 0.593 0.928 0.435 CB 1.563 70 residues pruned to eliminate duplicates Z: 28 22.521 2.173 0.471 0.409 0.963 0.370 CB 1.550 28 residues pruned to eliminate duplicates Z: 31 25.705 2.146 0.622 0.446 0.933 0.467 CB 1.528 31 residues pruned to eliminate duplicates Z: 16 15.772 2.077 0.605 0.557 0.933 0.533 CB 1.239 16 residues pruned to eliminate duplicates Z: 18 27.921 2.135 0.746 0.674 0.941 0.706 CB 1.643 18 residues pruned to eliminate duplicates Z: 73 50.198 2.212 0.645 0.608 0.944 0.500 CB 1.554 73 residues pruned to eliminate duplicates Z: 66 37.139 2.207 0.526 0.525 0.892 0.462 CB 1.497 66 residues pruned to eliminate duplicates Z: 46 30.593 2.216 0.474 0.499 0.911 0.467 CB 1.534 46 residues pruned to eliminate duplicates Z: 14 18.271 2.002 0.696 0.607 0.846 0.615 CA 1.593 14 residues pruned to eliminate duplicates Z: 15 14.334 1.907 0.544 0.655 0.857 0.643 CA 1.314 15 residues pruned to eliminate duplicates Z: 107 44.410 2.176 0.494 0.502 0.868 0.453 CB 1.525 107 residues pruned to eliminate duplicates Z: 19 15.759 2.025 0.358 0.553 0.833 0.611 CA 1.538 19 residues pruned to eliminate duplicates Z: 33 24.948 2.092 0.522 0.459 0.969 0.469 CB 1.491 33 residues pruned to eliminate duplicates Z: 13 21.516 2.080 0.672 0.781 1.000 0.667 CA 1.393 13 residues pruned to eliminate duplicates Z: 10 17.420 2.051 0.610 0.853 0.889 0.667 CA 1.462 10 residues pruned to eliminate duplicates Z: 12 12.652 1.824 0.613 0.796 0.909 0.727 CA 1.100 12 residues pruned to eliminate duplicates Z: 27 23.842 2.058 0.514 0.630 0.962 0.731 CA 1.381 24 residues pruned to eliminate duplicates Z: 23 27.600 2.107 0.489 0.770 1.000 0.636 CA 1.477 23 residues pruned to eliminate duplicates Z: 26 23.376 2.064 0.488 0.686 0.960 0.640 CA 1.337 26 residues pruned to eliminate duplicates Z: 20 20.067 2.051 0.598 0.677 0.895 0.421 CB 1.335 20 residues pruned to eliminate duplicates Z: 16 24.114 2.136 0.818 0.653 0.933 0.600 CB 1.489 16 residues pruned to eliminate duplicates Z: 21 21.159 2.051 0.652 0.602 0.850 0.450 CB 1.490 21 residues pruned to eliminate duplicates Z: 22 24.047 2.152 0.526 0.647 0.905 0.429 CB 1.540 20 residues pruned to eliminate duplicates Z: 12 26.323 2.320 0.654 0.882 1.000 0.545 CB 1.497 12 residues pruned to eliminate duplicates Z: 26 25.879 2.053 0.619 0.650 0.960 0.440 CA 1.410 26 residues pruned to eliminate duplicates Z: 26 23.114 2.089 0.515 0.669 0.840 0.480 CB 1.488 26 residues pruned to eliminate duplicates Z: 16 22.942 2.231 0.559 0.794 0.800 0.400 CB 1.645 16 residues pruned to eliminate duplicates Z: 26 25.040 2.056 0.734 0.648 0.880 0.440 CA 1.391 26 residues pruned to eliminate duplicates Z: 25 28.782 2.092 0.848 0.679 0.917 0.417 CB 1.406 25 residues pruned to eliminate duplicates Z: 25 22.308 2.068 0.651 0.705 0.792 0.500 CB 1.398 25 residues pruned to eliminate duplicates Z: 25 21.766 2.057 0.539 0.600 0.875 0.333 CB 1.458 25 residues pruned to eliminate duplicates Z: 26 25.436 2.041 0.874 0.659 0.840 0.440 CA 1.367 26 residues pruned to eliminate duplicates Z: 27 21.271 1.946 0.595 0.692 0.923 0.385 CA 1.221 27 residues pruned to eliminate duplicates Z: 26 25.776 2.035 0.699 0.676 0.880 0.480 CB 1.441 26 residues pruned to eliminate duplicates Z: 26 26.837 2.073 0.921 0.691 0.800 0.360 CB 1.414 26 residues pruned to eliminate duplicates Z: 26 25.459 2.040 0.852 0.653 0.840 0.440 CB 1.391 26 residues pruned to eliminate duplicates Z: 16 10.552 1.943 0.693 0.524 0.667 0.267 CA 1.214 15 residues pruned to eliminate duplicates Z: 21 33.851 2.140 1.027 0.834 0.950 0.300 CB 1.377 21 residues pruned to eliminate duplicates Z: 6 8.106 1.856 0.341 0.737 1.000 0.600 CA 1.178 Z: 13 11.593 1.930 0.139 0.600 0.917 0.500 CB 1.510 19 residues pruned to eliminate duplicates Z: 29 13.288 1.919 0.218 0.392 0.857 0.321 CB 1.405 29 residues pruned to eliminate duplicates Z: 13 10.659 1.940 0.164 0.627 0.833 0.583 N 1.451 13 residues pruned to eliminate duplicates Z: 25 13.582 1.946 0.254 0.386 0.875 0.458 CB 1.466 25 residues pruned to eliminate duplicates Z: 12 13.772 1.989 0.415 0.498 1.000 0.545 CA 1.479 12 residues pruned to eliminate duplicates Z: 30 12.803 1.929 0.331 0.321 0.793 0.379 CB 1.422 30 residues pruned to eliminate duplicates Z: 19 10.364 1.777 0.339 0.316 0.889 0.556 N 1.415 19 residues pruned to eliminate duplicates Z: 30 14.293 2.020 0.249 0.337 0.828 0.483 CB 1.519 30 residues pruned to eliminate duplicates Z: 21 10.196 1.898 0.348 0.273 0.800 0.350 CB 1.441 21 residues pruned to eliminate duplicates Z: 29 13.371 2.050 0.245 0.310 0.821 0.429 CB 1.489 29 residues pruned to eliminate duplicates Z: 33 13.718 1.979 0.246 0.319 0.812 0.406 CB 1.478 33 residues pruned to eliminate duplicates Z: 27 15.693 1.999 0.365 0.394 0.846 0.423 CB 1.492 27 residues pruned to eliminate duplicates Z: 20 8.678 2.002 0.050 0.267 0.895 0.421 CB 1.380 20 residues pruned to eliminate duplicates Z: 20 10.997 2.055 0.242 0.285 0.842 0.368 CB 1.497 20 residues pruned to eliminate duplicates Z: 24 12.135 1.964 0.242 0.295 0.870 0.391 CB 1.500 24 residues pruned to eliminate duplicates Z: 11 5.235 1.916 0.345 0.160 0.700 0.300 CB 1.390 11 residues pruned to eliminate duplicates Z: 12 6.143 2.035 0.055 0.266 0.727 0.273 CA 1.548 12 residues pruned to eliminate duplicates Z: 24 10.941 1.943 0.243 0.321 0.783 0.348 CB 1.469 24 residues pruned to eliminate duplicates Z: 15 6.979 2.037 0.212 0.244 0.714 0.286 CA 1.420 15 residues pruned to eliminate duplicates Z: 26 13.783 2.006 0.196 0.349 0.880 0.360 CB 1.537 26 residues pruned to eliminate duplicates Z: 22 11.092 2.042 0.300 0.244 0.857 0.429 CB 1.430 22 residues pruned to eliminate duplicates Z: 20 10.161 2.052 0.208 0.277 0.842 0.526 CB 1.437 20 residues pruned to eliminate duplicates Z: 18 8.856 2.011 0.285 0.305 0.765 0.353 CB 1.350 18 residues pruned to eliminate duplicates Z: 21 9.972 1.977 0.239 0.315 0.800 0.400 CB 1.397 21 residues pruned to eliminate duplicates Z: 35 15.198 1.961 0.232 0.367 0.824 0.382 CB 1.510 35 residues pruned to eliminate duplicates Z: 10 7.457 2.124 0.117 0.339 0.889 0.444 CB 1.406 10 residues pruned to eliminate duplicates Z: 17 9.409 1.971 0.405 0.276 0.812 0.438 CB 1.347 17 residues pruned to eliminate duplicates Z: 11 6.190 1.955 0.299 0.239 0.800 0.500 CB 1.303 11 residues pruned to eliminate duplicates Z: 16 8.322 1.965 0.184 0.369 0.733 0.400 CB 1.449 16 residues pruned to eliminate duplicates Z: 7 4.786 1.639 0.709 0.248 0.833 0.333 N 1.119 6 residues pruned to eliminate duplicates Z: 21 11.912 1.770 0.647 0.297 0.850 0.500 CB 1.350 41 residues pruned to eliminate duplicates Z: 12 2.814 1.625 0.190 0.100 0.636 0.273 N 1.150 Z: 6 2.638 1.373 0.384 0.490 0.600 0.200 C 1.046 Z: 7 3.661 1.569 0.378 0.487 0.833 0.500 CA 0.841 5 residues pruned to eliminate duplicates Z: 6 3.581 1.795 0.233 0.395 0.800 0.600 CB 1.011 8 residues pruned to eliminate duplicates Z: 11 9.123 1.747 0.811 0.520 0.900 0.600 CB 0.993 Z: 16 9.717 1.850 0.544 0.478 0.800 0.533 CB 1.122 18 residues pruned to eliminate duplicates Z: 12 7.348 1.873 0.639 0.491 0.818 0.455 CB 0.889 12 residues pruned to eliminate duplicates Z: 12 11.012 1.910 0.873 0.451 0.818 0.182 CB 1.193 11 residues pruned to eliminate duplicates Z: 7 6.197 1.738 0.764 0.600 0.667 0.333 CB 1.125 7 residues pruned to eliminate duplicates Z: 7 8.103 1.623 0.819 0.462 1.000 0.500 CB 1.165 7 residues pruned to eliminate duplicates Z: 19 10.327 2.063 0.176 0.438 0.778 0.667 CA 1.375 19 residues pruned to eliminate duplicates Z: 26 14.816 2.019 0.429 0.437 0.720 0.480 CA 1.521 29 residues pruned to eliminate duplicates Z: 25 15.203 2.157 0.232 0.425 0.792 0.542 CB 1.596 26 residues pruned to eliminate duplicates Z: 60 24.952 2.081 0.283 0.438 0.831 0.492 CA 1.561 60 residues pruned to eliminate duplicates Z: 33 14.458 2.099 0.327 0.325 0.750 0.531 CB 1.483 33 residues pruned to eliminate duplicates Z: 20 9.447 2.015 0.411 0.274 0.684 0.474 CB 1.440 20 residues pruned to eliminate duplicates Z: 41 22.953 2.068 0.327 0.423 0.900 0.600 CA 1.591 41 residues pruned to eliminate duplicates Z: 8 5.204 1.964 0.498 0.308 0.571 0.429 CA 1.448 8 residues pruned to eliminate duplicates Z: 11 4.501 1.789 0.015 0.199 0.800 0.400 CA 1.400 11 residues pruned to eliminate duplicates Z: 37 22.624 2.044 0.344 0.422 0.944 0.472 CA 1.575 37 residues pruned to eliminate duplicates Z: 13 7.865 1.971 0.181 0.316 0.833 0.417 CA 1.435 13 residues pruned to eliminate duplicates Z: 11 5.932 2.030 0.002 0.281 0.800 0.300 CA 1.475 11 residues pruned to eliminate duplicates Z: 20 12.476 2.016 0.204 0.364 0.895 0.526 CA 1.525 20 residues pruned to eliminate duplicates Z: 18 10.037 2.015 0.322 0.374 0.824 0.353 CA 1.270 18 residues pruned to eliminate duplicates Z: 12 12.336 2.110 0.391 0.377 1.000 0.545 CA 1.446 12 residues pruned to eliminate duplicates Z: 21 13.736 1.943 0.265 0.415 0.900 0.450 CB 1.517 21 residues pruned to eliminate duplicates Z: 28 13.344 1.953 0.392 0.339 0.852 0.593 CA 1.322 28 residues pruned to eliminate duplicates Z: 33 24.134 2.108 0.397 0.500 0.969 0.688 CA 1.495 33 residues pruned to eliminate duplicates Z: 36 22.199 2.051 0.299 0.470 0.943 0.543 CA 1.540 36 residues pruned to eliminate duplicates Z: 28 15.787 2.070 0.407 0.307 0.815 0.481 CA 1.588 28 residues pruned to eliminate duplicates Z: 22 15.997 2.095 0.209 0.400 0.905 0.619 N 1.692 22 residues pruned to eliminate duplicates Z: 20 11.747 1.991 0.276 0.364 0.842 0.421 CB 1.458 20 residues pruned to eliminate duplicates Z: 34 22.254 2.094 0.252 0.477 0.970 0.515 CA 1.560 34 residues pruned to eliminate duplicates Z: 31 19.747 1.971 0.384 0.511 0.933 0.600 CA 1.401 31 residues pruned to eliminate duplicates Z: 30 14.878 2.034 0.327 0.309 0.828 0.586 CB 1.529 30 residues pruned to eliminate duplicates Z: 12 11.600 1.927 0.415 0.391 1.000 0.636 CA 1.441 12 residues pruned to eliminate duplicates Z: 24 17.039 2.038 0.328 0.507 0.957 0.652 CA 1.363 24 residues pruned to eliminate duplicates Z: 28 13.953 1.972 0.196 0.356 0.889 0.407 CB 1.497 28 residues pruned to eliminate duplicates Z: 25 13.542 2.008 0.273 0.317 0.833 0.583 CB 1.588 25 residues pruned to eliminate duplicates Z: 34 23.413 2.058 0.346 0.483 0.970 0.576 CA 1.544 34 residues pruned to eliminate duplicates Z: 33 22.942 2.097 0.294 0.493 0.969 0.656 CA 1.555 33 residues pruned to eliminate duplicates Z: 26 19.193 2.001 0.365 0.489 0.920 0.600 CA 1.545 26 residues pruned to eliminate duplicates Z: 33 22.348 2.113 0.306 0.491 0.969 0.594 CA 1.491 33 residues pruned to eliminate duplicates Z: 16 16.722 2.007 0.357 0.569 1.000 0.600 N 1.483 16 residues pruned to eliminate duplicates Z: 17 17.170 2.033 0.349 0.587 1.000 0.750 CB 1.440 17 residues pruned to eliminate duplicates Z: 16 17.097 2.068 0.361 0.577 1.000 0.733 N 1.455 16 residues pruned to eliminate duplicates Z: 34 24.317 2.098 0.405 0.482 0.939 0.545 CA 1.557 34 residues pruned to eliminate duplicates Z: 34 26.157 2.071 0.468 0.484 0.970 0.576 CB 1.570 34 residues pruned to eliminate duplicates Z: 12 18.022 2.210 0.425 0.595 1.000 0.636 CA 1.576 12 residues pruned to eliminate duplicates Z: 11 16.669 2.182 0.378 0.751 0.900 0.800 CA 1.558 11 residues pruned to eliminate duplicates Z: 16 15.059 2.073 0.247 0.623 1.000 0.600 CB 1.339 16 residues pruned to eliminate duplicates Z: 38 18.904 2.009 0.371 0.415 0.865 0.541 CB 1.425 38 residues pruned to eliminate duplicates Z: 17 13.972 2.064 0.218 0.599 0.938 0.625 CB 1.349 17 residues pruned to eliminate duplicates Z: 11 18.498 2.170 0.301 0.646 1.000 0.700 N 1.807 12 residues pruned to eliminate duplicates Z: 6 4.198 1.645 0.751 0.267 1.000 0.200 N 0.849 6 residues pruned to eliminate duplicates Z: 13 14.494 2.099 0.329 0.525 0.917 0.500 CB 1.596 14 residues pruned to eliminate duplicates Z: 6 3.229 1.242 0.880 0.446 1.000 0.600 CA 0.654 6 residues pruned to eliminate duplicates Z: 17 15.898 2.037 0.518 0.457 0.875 0.562 CA 1.535 15 residues pruned to eliminate duplicates Z: 6 5.930 1.669 0.552 0.417 0.800 0.600 CA 1.397 6 residues pruned to eliminate duplicates Z: 19 20.454 2.025 0.603 0.563 0.944 0.611 CA 1.479 21 residues pruned to eliminate duplicates Z: 6 5.590 1.704 0.969 0.422 0.800 0.400 CA 1.010 6 residues pruned to eliminate duplicates Z: 19 18.302 2.027 0.576 0.580 0.889 0.667 CA 1.406 19 residues pruned to eliminate duplicates Z: 21 16.573 1.964 0.571 0.496 0.850 0.550 CA 1.418 21 residues pruned to eliminate duplicates Z: 22 16.452 1.991 0.606 0.485 0.762 0.524 CA 1.496 22 residues pruned to eliminate duplicates Z: 20 17.782 1.979 0.630 0.553 0.895 0.632 CA 1.343 18 residues pruned to eliminate duplicates Z: 11 13.614 1.740 0.699 0.850 1.000 0.600 CA 1.079 11 residues pruned to eliminate duplicates Z: 18 21.522 2.110 0.679 0.605 0.941 0.647 CA 1.417 18 residues pruned to eliminate duplicates Z: 19 21.702 2.055 0.790 0.576 0.944 0.667 CA 1.368 19 residues pruned to eliminate duplicates Z: 10 15.060 1.900 0.768 0.809 1.000 0.667 CA 1.141 10 residues pruned to eliminate duplicates Z: 23 13.965 1.902 0.443 0.462 0.818 0.409 CA 1.378 23 residues pruned to eliminate duplicates 555 residues left after pruning, divided into chains as follows: A: 6 B: 7 C: 10 D: 7 E: 6 F: 8 G: 14 H: 64 I: 21 J: 10 K: 20 L: 9 M: 91 N: 9 O: 134 P: 25 Q: 16 R: 59 S: 13 T: 18 U: 8 CC for partial structure against native data = 19.35 % ------------------------------------------------------------------------------ Global autotracing cycle 20 = 0.300, Contrast = 0.405, Connect. = 0.678 for dens.mod. cycle 1 = 0.300, Contrast = 0.469, Connect. = 0.701 for dens.mod. cycle 2 = 0.300, Contrast = 0.543, Connect. = 0.737 for dens.mod. cycle 3 = 0.300, Contrast = 0.551, Connect. = 0.742 for dens.mod. cycle 4 = 0.300, Contrast = 0.559, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.564, Connect. = 0.750 for dens.mod. cycle 6 = 0.300, Contrast = 0.568, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.571, Connect. = 0.755 for dens.mod. cycle 8 = 0.300, Contrast = 0.573, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.574, Connect. = 0.758 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6894 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1186 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 21.591 2.076 0.350 0.833 1.000 0.650 CA 1.292 B: 21 25.856 2.216 0.307 0.861 0.950 0.650 CB 1.544 C: 19 40.043 2.376 0.611 0.893 1.000 0.500 CB 1.771 21 residues pruned to eliminate duplicates D: 19 25.455 2.302 0.173 0.841 0.944 0.778 CB 1.754 19 residues pruned to eliminate duplicates E: 15 24.246 2.246 0.386 0.836 0.929 0.786 CB 1.678 15 residues pruned to eliminate duplicates F: 21 34.162 2.236 0.482 0.842 1.000 0.600 CB 1.717 21 residues pruned to eliminate duplicates G: 10 9.144 2.176 0.200 0.591 0.778 0.556 CB 1.376 H: 20 23.416 2.065 0.259 0.888 1.000 0.842 CB 1.489 20 residues pruned to eliminate duplicates I: 15 11.088 2.142 0.138 0.506 0.786 0.643 CA 1.537 J: 22 31.518 2.129 0.540 0.884 1.000 0.714 CB 1.516 21 residues pruned to eliminate duplicates K: 18 17.539 2.011 0.381 0.558 1.000 0.647 CB 1.447 L: 14 39.279 2.418 0.659 0.919 1.000 0.846 CB 1.915 14 residues pruned to eliminate duplicates M: 21 36.584 2.146 0.832 0.864 1.000 0.550 CB 1.526 19 residues pruned to eliminate duplicates N: 17 34.572 2.256 0.695 0.909 1.000 0.625 CB 1.604 19 residues pruned to eliminate duplicates O: 26 19.665 2.189 0.428 0.439 0.880 0.520 CB 1.522 6 residues pruned to eliminate duplicates P: 22 15.080 2.212 0.430 0.373 0.810 0.571 CA 1.472 Q: 11 11.918 2.118 0.428 0.446 0.900 0.500 CB 1.463 5 residues pruned to eliminate duplicates R: 20 21.883 2.092 0.368 0.876 0.895 0.526 CB 1.425 20 residues pruned to eliminate duplicates S: 23 28.480 1.924 0.625 0.852 1.000 0.864 CA 1.437 T: 21 39.501 2.299 0.677 0.877 1.000 0.500 CB 1.665 20 residues pruned to eliminate duplicates U: 8 10.210 1.946 0.433 0.677 1.000 0.857 CB 1.176 V: 21 25.721 2.189 0.213 0.856 1.000 0.700 CB 1.597 20 residues pruned to eliminate duplicates W: 21 25.016 2.026 0.616 0.894 1.000 0.750 CA 1.225 21 residues pruned to eliminate duplicates X: 22 24.706 2.169 0.266 0.871 0.905 0.762 CB 1.583 22 residues pruned to eliminate duplicates Y: 18 14.814 2.041 0.173 0.608 0.941 0.588 CA 1.439 Z: 24 17.710 1.960 0.500 0.539 0.870 0.783 CB 1.389 Z: 19 20.263 2.074 0.394 0.876 1.000 0.667 CA 1.200 Z: 19 13.968 2.066 0.236 0.413 0.889 0.444 CA 1.589 15 residues pruned to eliminate duplicates Z: 18 18.323 2.030 0.576 0.892 0.882 0.647 CA 1.132 18 residues pruned to eliminate duplicates Z: 13 10.108 2.067 0.082 0.516 0.917 0.500 CB 1.401 Z: 12 14.603 2.090 0.388 0.795 0.909 0.455 CB 1.290 Z: 11 10.410 1.895 0.506 0.492 0.800 0.600 CB 1.453 Z: 11 13.549 1.884 0.480 0.824 0.900 0.500 CA 1.290 6 residues pruned to eliminate duplicates Z: 11 8.769 1.722 0.344 0.442 0.900 0.600 N 1.413 Z: 21 27.817 2.190 0.298 0.878 0.950 0.750 CB 1.672 21 residues pruned to eliminate duplicates Z: 18 24.011 2.211 0.475 0.886 0.882 0.647 CA 1.460 18 residues pruned to eliminate duplicates Z: 20 32.008 2.308 0.460 0.904 0.947 0.737 CB 1.638 20 residues pruned to eliminate duplicates Z: 21 12.984 1.934 0.305 0.399 0.900 0.650 CB 1.421 21 residues pruned to eliminate duplicates Z: 35 26.952 2.201 0.597 0.536 0.824 0.382 CB 1.542 29 residues pruned to eliminate duplicates Z: 11 4.360 1.636 0.176 0.185 0.900 0.600 CA 1.162 Z: 24 17.554 2.016 0.349 0.573 0.870 0.696 CB 1.442 24 residues pruned to eliminate duplicates Z: 20 29.651 2.301 0.380 0.865 0.947 0.421 CB 1.656 20 residues pruned to eliminate duplicates Z: 7 7.191 1.835 0.453 0.486 0.833 0.333 CB 1.340 Z: 8 10.965 2.155 0.125 0.614 1.000 0.571 CA 1.534 Z: 22 9.887 1.925 0.231 0.258 0.905 0.286 CB 1.328 Z: 52 41.642 2.179 0.608 0.629 0.941 0.529 CB 1.567 41 residues pruned to eliminate duplicates Z: 20 28.279 2.338 0.640 0.856 0.737 0.421 CB 1.693 20 residues pruned to eliminate duplicates Z: 21 33.238 2.196 0.535 0.862 1.000 0.700 CA 1.619 21 residues pruned to eliminate duplicates Z: 10 12.936 2.207 0.145 0.833 0.889 0.667 CB 1.440 10 residues pruned to eliminate duplicates Z: 11 9.090 1.740 0.456 0.565 0.800 0.500 CB 1.332 Z: 20 38.973 2.278 0.664 0.879 1.000 0.842 CA 1.711 20 residues pruned to eliminate duplicates Z: 12 17.413 1.884 0.628 0.869 1.000 0.455 CB 1.251 12 residues pruned to eliminate duplicates Z: 22 26.715 1.987 0.604 0.872 0.952 0.762 CA 1.400 22 residues pruned to eliminate duplicates Z: 7 5.507 1.773 0.094 0.561 1.000 0.667 CB 1.092 Z: 6 9.991 1.903 0.639 0.799 1.000 0.600 CB 1.103 6 residues pruned to eliminate duplicates Z: 20 31.278 2.258 0.490 0.883 0.947 0.526 CB 1.628 20 residues pruned to eliminate duplicates Z: 20 13.853 2.227 0.349 0.391 0.895 0.579 CA 1.327 20 residues pruned to eliminate duplicates Z: 22 30.400 2.137 0.576 0.875 0.952 0.476 CB 1.504 22 residues pruned to eliminate duplicates Z: 20 27.032 2.174 0.464 0.855 1.000 0.789 CB 1.438 20 residues pruned to eliminate duplicates Z: 18 8.026 1.859 0.192 0.395 0.882 0.471 CB 1.113 7 residues pruned to eliminate duplicates Z: 11 8.336 2.156 0.333 0.291 0.800 0.600 CA 1.451 11 residues pruned to eliminate duplicates Z: 12 11.615 1.681 0.678 0.457 1.000 0.545 CB 1.298 12 residues pruned to eliminate duplicates Z: 21 12.883 2.069 0.235 0.384 0.900 0.550 CA 1.416 Z: 18 23.131 2.142 0.597 0.640 0.882 0.765 CA 1.630 18 residues pruned to eliminate duplicates Z: 15 20.565 2.090 0.582 0.810 0.857 0.429 CB 1.480 15 residues pruned to eliminate duplicates Z: 20 34.182 2.259 0.642 0.926 0.895 0.421 CB 1.657 20 residues pruned to eliminate duplicates Z: 13 6.580 1.759 0.418 0.328 0.833 0.417 CB 1.105 13 residues pruned to eliminate duplicates Z: 7 10.277 1.790 0.587 0.633 1.000 0.667 CA 1.303 Z: 18 7.232 1.961 0.132 0.319 0.706 0.353 CB 1.367 9 residues pruned to eliminate duplicates Z: 6 6.429 1.908 0.331 0.548 0.800 0.600 N 1.350 6 residues pruned to eliminate duplicates Z: 19 21.797 2.033 0.614 0.566 1.000 0.667 CB 1.469 18 residues pruned to eliminate duplicates Z: 28 16.661 2.111 0.298 0.359 0.926 0.407 CB 1.470 29 residues pruned to eliminate duplicates Z: 19 13.090 2.084 0.275 0.439 0.833 0.500 CA 1.485 19 residues pruned to eliminate duplicates Z: 28 16.789 2.091 0.475 0.310 0.926 0.481 CB 1.397 29 residues pruned to eliminate duplicates Z: 23 16.403 1.965 0.280 0.507 0.955 0.591 CB 1.447 23 residues pruned to eliminate duplicates Z: 24 9.400 1.971 0.113 0.279 0.783 0.435 CB 1.467 23 residues pruned to eliminate duplicates Z: 21 21.396 2.071 0.564 0.865 0.800 0.450 CB 1.352 21 residues pruned to eliminate duplicates Z: 6 6.020 1.750 0.717 0.625 1.000 0.400 CB 0.796 Z: 6 2.359 1.692 -0.232 0.291 1.000 0.600 N 1.027 Z: 11 14.430 2.089 0.359 0.807 0.900 0.400 CB 1.366 11 residues pruned to eliminate duplicates Z: 6 2.893 1.580 0.152 0.449 0.800 0.600 CB 0.936 Z: 11 12.197 2.023 0.196 0.597 0.900 0.600 CA 1.615 11 residues pruned to eliminate duplicates Z: 29 17.802 2.137 0.343 0.350 0.929 0.500 CA 1.486 27 residues pruned to eliminate duplicates Z: 28 21.149 2.245 0.489 0.309 0.963 0.519 CA 1.563 29 residues pruned to eliminate duplicates Z: 16 17.708 2.117 0.302 0.829 1.000 0.733 CB 1.248 16 residues pruned to eliminate duplicates Z: 20 10.078 1.944 0.147 0.457 0.737 0.421 N 1.471 20 residues pruned to eliminate duplicates Z: 16 11.364 1.763 0.419 0.425 0.867 0.533 N 1.464 16 residues pruned to eliminate duplicates Z: 15 11.958 1.905 0.587 0.750 0.857 0.500 CB 0.987 15 residues pruned to eliminate duplicates Z: 12 13.754 2.139 0.169 0.620 1.000 0.818 CB 1.481 13 residues pruned to eliminate duplicates Z: 29 13.029 2.067 0.351 0.332 0.750 0.357 CB 1.413 29 residues pruned to eliminate duplicates Z: 17 25.160 1.987 0.759 0.844 0.938 0.562 CB 1.428 17 residues pruned to eliminate duplicates Z: 21 17.346 2.068 0.080 0.871 0.950 0.650 CA 1.334 21 residues pruned to eliminate duplicates Z: 10 10.867 1.949 0.748 0.474 0.889 0.667 CB 1.229 9 residues pruned to eliminate duplicates Z: 27 13.981 2.044 0.472 0.329 0.885 0.462 CB 1.242 27 residues pruned to eliminate duplicates Z: 13 14.861 2.132 0.323 0.559 0.917 0.667 CB 1.566 12 residues pruned to eliminate duplicates Z: 13 12.747 2.094 0.145 0.754 0.833 0.500 CB 1.469 13 residues pruned to eliminate duplicates Z: 17 20.302 2.058 0.657 0.885 0.938 0.562 CA 1.147 17 residues pruned to eliminate duplicates Z: 23 24.840 1.920 0.515 0.867 1.000 0.818 CA 1.332 23 residues pruned to eliminate duplicates Z: 11 14.222 1.830 0.588 0.718 1.000 0.800 CB 1.271 Z: 11 11.240 2.008 0.250 0.462 1.000 0.600 CA 1.472 11 residues pruned to eliminate duplicates Z: 19 10.321 2.005 0.168 0.369 0.778 0.500 CB 1.537 19 residues pruned to eliminate duplicates Z: 7 7.157 1.800 0.397 0.497 0.833 0.333 CB 1.398 6 residues pruned to eliminate duplicates Z: 22 30.642 2.007 0.651 0.877 1.000 0.714 CA 1.466 23 residues pruned to eliminate duplicates Z: 10 6.715 1.704 0.529 0.460 0.889 0.556 CB 1.007 Z: 13 14.978 1.800 0.559 0.722 1.000 0.667 CA 1.261 13 residues pruned to eliminate duplicates Z: 13 14.718 2.080 0.301 0.683 1.000 0.833 CB 1.327 13 residues pruned to eliminate duplicates Z: 12 10.918 1.896 0.542 0.881 0.818 0.727 CB 0.997 11 residues pruned to eliminate duplicates Z: 10 8.692 2.276 -0.041 0.777 0.778 0.667 CB 1.336 10 residues pruned to eliminate duplicates Z: 30 18.209 1.918 0.733 0.408 0.828 0.552 CB 1.355 16 residues pruned to eliminate duplicates Z: 9 3.199 1.517 0.241 0.403 0.875 0.375 CB 0.760 Z: 11 9.695 2.042 0.274 0.600 0.900 0.700 CB 1.190 11 residues pruned to eliminate duplicates Z: 7 2.203 1.890 -0.123 0.083 0.833 0.167 CA 1.116 3 residues pruned to eliminate duplicates Z: 7 4.205 1.834 0.063 0.400 0.667 0.333 C 1.468 6 residues pruned to eliminate duplicates Z: 13 7.464 1.982 0.123 0.465 0.750 0.417 CA 1.338 12 residues pruned to eliminate duplicates Z: 26 10.423 1.754 0.494 0.311 0.760 0.520 N 1.291 17 residues pruned to eliminate duplicates Z: 12 7.911 1.831 0.239 0.293 0.909 0.455 CB 1.457 Z: 6 8.535 1.829 0.490 0.579 1.000 0.800 N 1.298 7 residues pruned to eliminate duplicates Z: 11 17.466 1.913 0.610 0.881 1.000 0.800 CA 1.299 11 residues pruned to eliminate duplicates Z: 11 16.154 1.793 1.042 0.807 1.000 0.500 CA 1.067 11 residues pruned to eliminate duplicates Z: 15 15.823 2.023 0.409 0.865 0.929 0.786 CA 1.171 14 residues pruned to eliminate duplicates Z: 10 5.873 1.703 0.124 0.450 0.778 0.778 N 1.384 12 residues pruned to eliminate duplicates Z: 10 12.020 1.829 0.509 0.804 1.000 0.444 CA 1.114 10 residues pruned to eliminate duplicates Z: 6 6.946 1.897 0.515 0.540 0.800 0.600 CA 1.299 6 residues pruned to eliminate duplicates Z: 9 5.187 1.859 0.619 0.518 0.625 0.500 CB 0.958 10 residues pruned to eliminate duplicates Z: 11 7.435 1.883 0.160 0.470 0.800 0.600 CA 1.388 10 residues pruned to eliminate duplicates Z: 29 20.547 2.181 0.420 0.342 0.964 0.571 CA 1.544 30 residues pruned to eliminate duplicates Z: 10 6.557 1.817 0.304 0.316 0.889 0.444 CB 1.272 10 residues pruned to eliminate duplicates Z: 7 5.491 1.715 0.590 0.466 0.667 0.500 CA 1.278 Z: 12 9.763 1.924 0.327 0.837 1.000 0.545 CB 0.862 11 residues pruned to eliminate duplicates Z: 20 14.497 1.916 0.519 0.451 0.895 0.526 CA 1.343 17 residues pruned to eliminate duplicates Z: 10 8.274 1.730 0.658 0.373 0.889 0.444 CB 1.240 Z: 20 22.213 1.974 0.798 0.872 0.842 0.263 CA 1.242 20 residues pruned to eliminate duplicates Z: 9 8.448 1.665 0.166 0.838 1.000 0.625 CB 1.151 7 residues pruned to eliminate duplicates Z: 14 9.279 1.831 0.157 0.476 0.923 0.385 CB 1.348 13 residues pruned to eliminate duplicates Z: 9 11.232 1.850 0.635 0.510 1.000 0.625 CA 1.300 10 residues pruned to eliminate duplicates Z: 21 30.172 2.177 0.449 0.880 1.000 0.700 CB 1.550 21 residues pruned to eliminate duplicates Z: 9 8.241 1.934 0.056 0.847 0.875 0.250 CA 1.211 9 residues pruned to eliminate duplicates Z: 16 19.225 1.981 0.703 0.843 1.000 0.800 CA 1.095 16 residues pruned to eliminate duplicates Z: 16 28.795 2.002 0.991 0.913 1.000 0.733 CA 1.320 17 residues pruned to eliminate duplicates Z: 22 13.454 1.773 0.489 0.461 0.905 0.571 CA 1.279 22 residues pruned to eliminate duplicates Z: 22 12.891 1.900 0.194 0.507 0.857 0.571 CA 1.436 22 residues pruned to eliminate duplicates Z: 6 4.513 1.876 -0.409 0.649 1.000 0.800 C 1.584 Z: 8 16.167 2.202 0.666 0.715 0.857 0.571 CA 1.599 8 residues pruned to eliminate duplicates Z: 7 3.367 1.657 0.626 0.498 0.667 0.500 CB 0.767 Z: 15 7.492 1.890 0.330 0.293 0.714 0.357 CB 1.405 15 residues pruned to eliminate duplicates Z: 63 23.201 2.007 0.402 0.315 0.871 0.435 CB 1.476 45 residues pruned to eliminate duplicates Z: 7 5.980 1.653 0.204 0.601 1.000 0.833 CA 1.114 Z: 34 13.609 1.899 0.290 0.319 0.818 0.364 CB 1.442 34 residues pruned to eliminate duplicates Z: 13 12.123 1.695 0.851 0.554 0.833 0.583 CB 1.270 13 residues pruned to eliminate duplicates Z: 16 14.452 2.109 0.410 0.404 0.867 0.400 CB 1.602 16 residues pruned to eliminate duplicates Z: 7 6.534 1.955 0.348 0.336 0.833 0.667 CA 1.454 7 residues pruned to eliminate duplicates Z: 14 4.853 1.631 0.175 0.284 0.846 0.538 CB 1.059 20 residues pruned to eliminate duplicates Z: 10 8.196 1.898 0.348 0.510 0.889 0.556 CB 1.189 10 residues pruned to eliminate duplicates Z: 18 10.452 1.924 0.345 0.530 0.941 0.588 CB 1.011 18 residues pruned to eliminate duplicates Z: 8 15.217 1.987 0.424 0.852 1.000 0.714 CA 1.504 8 residues pruned to eliminate duplicates Z: 9 9.238 2.076 -0.037 0.830 0.875 0.750 CA 1.404 9 residues pruned to eliminate duplicates Z: 8 12.383 2.142 0.396 0.650 1.000 0.714 CA 1.361 8 residues pruned to eliminate duplicates Z: 9 10.821 1.772 0.298 0.856 0.875 0.500 CB 1.403 9 residues pruned to eliminate duplicates Z: 18 22.623 1.932 0.465 0.882 0.941 0.353 CA 1.490 18 residues pruned to eliminate duplicates Z: 9 12.704 1.936 0.142 0.813 1.000 0.500 CA 1.547 9 residues pruned to eliminate duplicates Z: 18 19.292 2.069 0.412 0.780 1.000 0.765 CB 1.251 24 residues pruned to eliminate duplicates Z: 31 21.634 1.987 0.305 0.649 0.967 0.667 CA 1.372 31 residues pruned to eliminate duplicates Z: 7 7.475 1.928 -0.024 0.657 1.000 0.500 C 1.402 Z: 20 42.505 2.353 0.895 0.915 0.947 0.263 CB 1.630 20 residues pruned to eliminate duplicates Z: 13 8.551 2.065 0.136 0.531 0.750 0.500 CB 1.361 13 residues pruned to eliminate duplicates Z: 9 5.163 1.722 0.088 0.554 0.875 0.750 CB 1.057 9 residues pruned to eliminate duplicates Z: 9 9.915 1.879 0.179 0.631 0.875 0.500 CB 1.598 9 residues pruned to eliminate duplicates Z: 19 18.492 1.908 0.800 0.868 0.889 0.667 CA 1.044 18 residues pruned to eliminate duplicates Z: 12 11.998 2.021 0.068 0.842 0.818 0.727 CA 1.526 12 residues pruned to eliminate duplicates Z: 70 44.400 2.180 0.727 0.578 0.855 0.406 CB 1.540 70 residues pruned to eliminate duplicates Z: 18 16.156 1.990 0.475 0.499 0.941 0.471 CA 1.420 18 residues pruned to eliminate duplicates Z: 13 11.126 1.990 0.176 0.528 0.917 0.583 CB 1.457 13 residues pruned to eliminate duplicates Z: 15 22.916 2.064 0.387 0.852 1.000 0.643 CB 1.582 15 residues pruned to eliminate duplicates Z: 20 27.045 1.960 0.562 0.872 1.000 0.737 CA 1.477 20 residues pruned to eliminate duplicates Z: 9 5.869 1.778 0.471 0.343 0.750 0.500 CB 1.255 9 residues pruned to eliminate duplicates Z: 31 33.795 2.216 0.417 0.712 1.000 0.567 CA 1.621 31 residues pruned to eliminate duplicates Z: 22 28.410 2.122 0.395 0.828 0.952 0.619 CB 1.655 22 residues pruned to eliminate duplicates Z: 12 12.614 1.964 0.466 0.510 0.909 0.636 CB 1.439 12 residues pruned to eliminate duplicates Z: 8 8.385 1.598 0.168 0.816 1.000 0.571 CA 1.291 8 residues pruned to eliminate duplicates Z: 10 3.860 1.773 0.138 0.262 0.778 0.222 CB 1.076 10 residues pruned to eliminate duplicates Z: 8 7.547 1.682 0.101 0.810 1.000 0.714 C 1.176 8 residues pruned to eliminate duplicates Z: 12 3.955 1.828 0.211 0.486 0.818 0.545 CB 0.668 12 residues pruned to eliminate duplicates Z: 9 6.040 1.768 0.734 0.353 0.750 0.500 CB 1.088 Z: 18 15.336 1.912 0.195 0.922 1.000 0.824 CA 1.144 18 residues pruned to eliminate duplicates Z: 11 5.781 1.668 0.576 0.634 0.700 0.500 CB 0.876 10 residues pruned to eliminate duplicates Z: 39 27.502 1.909 0.582 0.612 0.895 0.605 CB 1.485 34 residues pruned to eliminate duplicates Z: 14 14.111 1.961 0.358 0.884 0.846 0.385 CA 1.255 15 residues pruned to eliminate duplicates Z: 8 9.474 1.777 0.518 0.610 1.000 0.571 CB 1.197 8 residues pruned to eliminate duplicates Z: 17 11.555 2.097 0.091 0.448 0.875 0.438 CA 1.523 17 residues pruned to eliminate duplicates Z: 10 5.308 1.646 0.658 0.309 0.778 0.333 CB 1.031 7 residues pruned to eliminate duplicates Z: 33 13.786 1.939 0.301 0.285 0.875 0.469 CB 1.405 32 residues pruned to eliminate duplicates Z: 11 15.486 1.733 0.770 0.858 1.000 0.800 CA 1.175 11 residues pruned to eliminate duplicates Z: 8 3.507 1.610 0.148 0.299 0.714 0.429 CB 1.257 18 residues pruned to eliminate duplicates Z: 8 3.295 1.689 0.145 0.477 0.571 0.571 CA 1.153 8 residues pruned to eliminate duplicates Z: 13 12.338 2.031 -0.018 0.855 0.917 0.750 CB 1.438 13 residues pruned to eliminate duplicates Z: 16 10.743 1.857 0.277 0.460 0.867 0.600 CB 1.406 16 residues pruned to eliminate duplicates Z: 6 2.380 1.699 0.049 0.288 0.600 0.600 CA 1.264 4 residues pruned to eliminate duplicates Z: 29 15.956 2.125 0.322 0.269 0.893 0.393 CA 1.564 29 residues pruned to eliminate duplicates Z: 19 24.796 2.010 0.558 0.832 0.889 0.778 CA 1.577 19 residues pruned to eliminate duplicates Z: 15 14.190 2.205 0.405 0.434 0.857 0.643 CA 1.528 15 residues pruned to eliminate duplicates Z: 9 4.845 1.874 0.204 0.284 0.625 0.500 CA 1.550 9 residues pruned to eliminate duplicates Z: 17 16.690 2.004 0.520 0.626 0.938 0.625 CA 1.298 17 residues pruned to eliminate duplicates Z: 27 11.695 1.886 0.322 0.303 0.808 0.346 CB 1.419 27 residues pruned to eliminate duplicates Z: 8 7.485 1.809 0.232 0.673 0.857 0.429 CB 1.262 8 residues pruned to eliminate duplicates Z: 21 14.434 2.052 0.491 0.324 0.900 0.450 CB 1.423 21 residues pruned to eliminate duplicates Z: 10 5.581 1.728 0.038 0.455 1.000 0.333 CB 1.087 7 1.577 1.556 0.109 0.463 0.833 0.667 CB 0.465 ? Z: 14 20.148 2.249 0.269 0.886 0.923 0.538 CA 1.530 14 residues pruned to eliminate duplicates Z: 11 15.284 1.879 0.433 0.883 1.000 0.600 CA 1.298 11 residues pruned to eliminate duplicates Z: 6 4.023 1.647 0.475 0.403 1.000 0.600 CB 0.821 Z: 28 17.824 2.193 0.435 0.319 0.926 0.593 CA 1.437 28 residues pruned to eliminate duplicates Z: 10 12.557 2.112 0.211 0.753 1.000 0.889 CA 1.306 10 residues pruned to eliminate duplicates Z: 12 18.039 2.239 0.298 0.844 1.000 0.727 CB 1.393 12 residues pruned to eliminate duplicates Z: 17 8.956 1.752 0.273 0.380 0.812 0.500 CB 1.404 17 residues pruned to eliminate duplicates Z: 9 2.555 1.511 -0.007 0.205 0.750 0.625 CB 1.140 Z: 6 2.669 1.849 0.066 0.216 0.800 0.200 CA 1.057 Z: 13 14.625 1.931 0.329 0.721 1.000 0.500 CB 1.348 15 residues pruned to eliminate duplicates Z: 7 2.398 1.682 0.223 0.528 0.833 0.333 CB 0.556 7 residues pruned to eliminate duplicates Z: 14 10.445 1.982 0.245 0.572 0.769 0.615 CB 1.424 14 residues pruned to eliminate duplicates Z: 9 7.388 1.903 0.509 0.578 0.625 0.625 N 1.351 5 residues pruned to eliminate duplicates Z: 13 17.165 2.220 0.396 0.481 1.000 0.500 CA 1.630 13 residues pruned to eliminate duplicates Z: 6 4.498 1.484 0.645 0.402 0.800 0.400 CB 1.142 Z: 14 9.447 1.760 0.577 0.336 0.923 0.462 CA 1.224 14 residues pruned to eliminate duplicates Z: 6 4.692 1.542 0.207 0.671 1.000 0.800 N 0.963 Z: 6 2.339 1.526 0.571 0.482 0.600 0.400 CB 0.741 Z: 41 35.247 2.279 0.330 0.689 0.975 0.550 CB 1.585 41 residues pruned to eliminate duplicates Z: 10 8.716 2.248 -0.181 0.830 0.889 0.667 CB 1.334 10 residues pruned to eliminate duplicates Z: 7 5.533 1.561 0.131 0.637 1.000 0.833 CA 1.125 7 residues pruned to eliminate duplicates Z: 13 8.445 1.694 0.866 0.530 0.833 0.750 CB 0.899 13 residues pruned to eliminate duplicates Z: 19 12.150 1.934 0.324 0.475 0.833 0.667 CA 1.377 19 residues pruned to eliminate duplicates Z: 13 10.259 1.934 0.403 0.476 0.917 0.417 CB 1.220 13 residues pruned to eliminate duplicates Z: 15 5.617 2.070 0.126 0.335 0.643 0.500 CB 1.199 15 residues pruned to eliminate duplicates Z: 10 13.728 2.127 0.064 0.850 1.000 1.000 CA 1.498 10 residues pruned to eliminate duplicates Z: 12 5.498 1.616 0.127 0.395 0.818 0.364 CA 1.244 12 residues pruned to eliminate duplicates Z: 21 22.897 1.944 0.416 0.846 1.000 0.700 CA 1.382 21 residues pruned to eliminate duplicates Z: 13 11.222 2.049 0.175 0.425 0.917 0.500 CB 1.588 13 residues pruned to eliminate duplicates 6 1.192 1.462 0.168 0.222 0.600 0.400 CB 0.721 ? Z: 12 5.490 1.659 0.430 0.402 0.636 0.455 CA 1.216 Z: 6 3.192 1.802 0.414 0.464 0.800 0.400 CB 0.727 6 residues pruned to eliminate duplicates Z: 8 6.051 1.951 0.111 0.388 0.857 0.286 CB 1.386 8 residues pruned to eliminate duplicates Z: 14 21.241 2.036 0.909 0.817 0.923 0.308 CB 1.246 14 residues pruned to eliminate duplicates Z: 6 3.624 1.669 0.421 0.553 0.600 0.400 CA 1.082 Z: 22 29.126 1.988 0.669 0.904 1.000 0.905 CA 1.364 22 residues pruned to eliminate duplicates Z: 8 5.432 1.840 0.271 0.333 1.000 0.429 CB 1.054 Z: 24 8.392 1.924 0.133 0.326 0.696 0.478 CB 1.397 26 residues pruned to eliminate duplicates Z: 6 2.517 1.825 -0.077 0.422 0.800 0.600 CB 0.906 Z: 15 11.986 1.875 0.517 0.479 0.929 0.786 CA 1.239 15 residues pruned to eliminate duplicates Z: 8 2.047 1.375 0.258 0.213 0.714 0.286 CA 0.878 Z: 6 7.283 1.717 0.474 0.705 1.000 0.800 CB 1.068 Z: 10 13.501 2.120 0.332 0.747 1.000 0.889 CA 1.279 10 residues pruned to eliminate duplicates Z: 22 26.562 1.992 0.631 0.868 0.952 0.667 CA 1.369 22 residues pruned to eliminate duplicates Z: 11 7.790 1.997 0.761 0.277 0.600 0.300 CA 1.504 11 residues pruned to eliminate duplicates Z: 14 25.426 2.273 0.497 0.922 1.000 0.538 CB 1.457 14 residues pruned to eliminate duplicates Z: 11 4.909 1.726 0.211 0.400 0.700 0.600 CA 1.179 9 residues pruned to eliminate duplicates Z: 8 2.451 1.252 0.297 0.553 0.857 0.571 C 0.632 Z: 18 10.177 1.894 0.282 0.399 0.882 0.471 CB 1.282 19 residues pruned to eliminate duplicates Z: 11 16.121 1.846 0.582 0.889 1.000 0.800 CA 1.256 11 residues pruned to eliminate duplicates Z: 12 13.928 1.796 0.706 0.794 0.818 0.818 CA 1.295 11 residues pruned to eliminate duplicates Z: 16 4.592 1.686 0.276 0.184 0.800 0.267 CB 1.007 13 residues pruned to eliminate duplicates Z: 6 4.004 1.538 0.313 0.569 0.800 0.600 CA 1.036 6 residues pruned to eliminate duplicates Z: 6 4.499 1.707 0.039 0.542 1.000 0.800 CB 1.089 Z: 18 8.805 1.990 0.198 0.312 0.765 0.412 CB 1.444 18 residues pruned to eliminate duplicates Z: 15 15.692 1.950 0.282 0.893 1.000 0.857 CA 1.204 15 residues pruned to eliminate duplicates Z: 20 15.759 1.992 0.546 0.489 0.842 0.474 CA 1.410 16 residues pruned to eliminate duplicates Z: 7 2.606 1.397 0.217 0.419 0.833 0.333 CB 0.817 Z: 12 3.221 1.477 0.006 0.218 0.909 0.455 CB 1.002 Z: 24 21.290 2.287 0.638 0.329 0.957 0.522 CA 1.495 24 residues pruned to eliminate duplicates Z: 9 2.705 1.394 0.180 0.268 0.750 0.375 CB 1.009 3 residues pruned to eliminate duplicates Z: 16 8.776 1.749 0.492 0.440 0.867 0.400 CB 1.066 16 residues pruned to eliminate duplicates Z: 24 11.940 1.919 0.259 0.402 0.783 0.522 CB 1.459 18 residues pruned to eliminate duplicates Z: 12 9.134 1.887 0.302 0.597 0.818 0.636 CA 1.249 11 residues pruned to eliminate duplicates Z: 11 7.232 1.727 0.252 0.573 0.800 0.500 CB 1.232 10 residues pruned to eliminate duplicates Z: 9 6.614 1.825 0.379 0.495 1.000 0.750 CB 0.934 9 residues pruned to eliminate duplicates 8 1.984 1.596 0.118 0.375 0.714 0.429 CB 0.673 ? Z: 35 15.053 2.030 0.414 0.302 0.824 0.441 CB 1.363 35 residues pruned to eliminate duplicates Z: 6 2.182 1.116 0.327 0.393 0.800 0.800 CB 0.923 Z: 25 11.326 1.860 0.472 0.380 0.750 0.250 CB 1.280 25 residues pruned to eliminate duplicates 7 1.862 1.393 0.039 0.440 0.667 0.667 CB 0.838 ? Z: 13 9.628 1.964 0.357 0.447 0.917 0.667 CB 1.201 14 residues pruned to eliminate duplicates Z: 18 15.071 2.009 0.300 0.485 0.941 0.706 CA 1.511 17 residues pruned to eliminate duplicates Z: 24 14.936 1.996 0.359 0.462 0.870 0.478 CA 1.373 25 residues pruned to eliminate duplicates Z: 12 9.402 2.007 0.196 0.453 0.818 0.727 CA 1.514 12 residues pruned to eliminate duplicates Z: 12 4.707 1.927 0.224 0.328 0.636 0.455 CB 1.142 12 residues pruned to eliminate duplicates Z: 6 5.820 1.771 0.284 0.782 1.000 0.600 CB 0.893 Z: 13 8.096 1.601 0.606 0.652 0.917 0.417 CA 0.860 13 residues pruned to eliminate duplicates 6 0.935 1.664 -0.538 0.548 1.000 0.400 CB 0.519 ? Z: 12 16.116 2.229 0.410 0.570 0.909 0.636 CA 1.590 12 residues pruned to eliminate duplicates Z: 13 9.345 2.079 0.372 0.465 0.750 0.500 CA 1.306 13 residues pruned to eliminate duplicates Z: 9 9.782 1.921 0.356 0.514 0.875 0.375 CA 1.497 8 residues pruned to eliminate duplicates Z: 13 15.960 1.996 0.233 0.853 1.000 0.667 CA 1.383 13 residues pruned to eliminate duplicates Z: 9 5.147 1.741 0.134 0.388 0.875 0.625 CA 1.187 9 residues pruned to eliminate duplicates Z: 6 4.147 1.554 0.538 0.500 0.800 0.800 N 0.970 Z: 17 13.412 1.953 0.521 0.397 0.875 0.438 CA 1.438 17 residues pruned to eliminate duplicates Z: 10 9.103 2.052 0.184 0.478 0.778 0.444 CA 1.642 11 residues pruned to eliminate duplicates Z: 13 11.122 2.019 0.225 0.627 0.833 0.667 CB 1.382 13 residues pruned to eliminate duplicates Z: 37 17.913 2.130 0.320 0.426 0.861 0.417 CB 1.331 37 residues pruned to eliminate duplicates Z: 13 9.337 2.109 0.223 0.292 0.917 0.417 CB 1.439 13 residues pruned to eliminate duplicates Z: 12 15.285 2.155 0.037 0.873 1.000 0.818 CB 1.501 12 residues pruned to eliminate duplicates Z: 13 15.613 2.225 0.261 0.517 1.000 0.583 CA 1.579 13 residues pruned to eliminate duplicates Z: 23 12.426 1.956 0.147 0.423 0.955 0.591 CA 1.340 22 residues pruned to eliminate duplicates Z: 6 6.246 2.005 0.314 0.564 0.800 0.600 CA 1.245 Z: 7 2.576 1.472 1.131 0.342 0.500 0.500 N 0.796 Z: 7 3.906 1.679 0.115 0.350 1.000 0.833 CA 1.003 5 residues pruned to eliminate duplicates Z: 8 3.241 1.473 0.142 0.609 0.714 0.714 CB 0.920 Z: 32 36.973 2.266 0.709 0.614 0.903 0.548 CB 1.703 32 residues pruned to eliminate duplicates Z: 23 19.744 2.259 0.472 0.379 0.955 0.636 CA 1.509 23 residues pruned to eliminate duplicates Z: 6 2.465 1.437 0.426 0.450 0.600 0.400 N 0.944 Z: 8 6.184 2.010 0.357 0.653 0.857 0.429 CA 0.867 8 residues pruned to eliminate duplicates Z: 7 6.690 1.884 0.422 0.488 0.833 0.833 CA 1.237 7 residues pruned to eliminate duplicates Z: 8 5.139 1.546 0.433 0.496 1.000 0.714 CA 0.880 8 residues pruned to eliminate duplicates Z: 12 16.620 2.103 0.185 0.833 1.000 0.909 CA 1.508 12 residues pruned to eliminate duplicates Z: 6 5.332 1.629 0.039 0.618 1.000 0.800 O 1.261 Z: 25 11.608 1.966 0.319 0.307 0.750 0.417 CA 1.510 25 residues pruned to eliminate duplicates Z: 20 15.399 1.932 0.323 0.490 1.000 0.474 CB 1.396 20 residues pruned to eliminate duplicates Z: 7 6.735 1.822 0.419 0.708 1.000 0.667 CB 0.880 Z: 9 3.825 1.361 0.310 0.476 0.750 0.500 C 1.035 Z: 7 3.998 1.579 -0.005 0.318 1.000 0.667 N 1.270 Z: 30 15.631 2.069 0.467 0.293 0.793 0.448 CA 1.520 30 residues pruned to eliminate duplicates Z: 10 7.699 1.852 0.316 0.536 0.778 0.667 CA 1.307 10 residues pruned to eliminate duplicates Z: 8 4.453 1.753 0.072 0.487 0.857 0.571 CB 1.059 8 residues pruned to eliminate duplicates Z: 6 3.373 1.621 1.189 0.403 0.600 0.600 CB 0.785 7 residues pruned to eliminate duplicates Z: 11 20.254 2.226 0.437 0.881 0.900 0.600 CA 1.611 11 residues pruned to eliminate duplicates Z: 7 2.933 1.439 0.092 0.374 0.833 0.833 CA 1.047 Z: 6 2.515 1.464 -0.127 0.652 1.000 0.800 C 0.763 Z: 22 28.127 2.116 0.569 0.903 0.952 0.524 CA 1.383 21 residues pruned to eliminate duplicates Z: 6 4.691 1.775 0.022 0.623 0.800 0.800 N 1.287 Z: 16 12.056 1.839 0.528 0.405 0.933 0.667 CB 1.311 16 residues pruned to eliminate duplicates Z: 8 3.873 1.567 0.247 0.612 1.000 0.571 CB 0.674 6 residues pruned to eliminate duplicates Z: 11 11.292 2.043 0.406 0.509 0.800 0.500 CB 1.539 11 residues pruned to eliminate duplicates Z: 6 6.155 1.219 0.837 0.783 1.000 1.000 O 0.958 6 1.406 1.541 0.102 0.133 0.600 0.600 CB 0.975 ? Z: 6 2.265 1.638 0.316 0.421 0.600 0.600 CB 0.850 2 residues pruned to eliminate duplicates Z: 9 7.752 1.841 0.302 0.595 0.750 0.625 N 1.392 9 residues pruned to eliminate duplicates Z: 12 13.742 1.902 0.584 0.464 0.909 0.545 CA 1.570 12 residues pruned to eliminate duplicates Z: 14 10.804 1.849 0.560 0.487 0.769 0.615 CB 1.368 14 residues pruned to eliminate duplicates Z: 8 2.691 1.494 0.352 0.248 0.857 0.429 CA 0.785 8 residues pruned to eliminate duplicates 7 1.565 1.241 0.623 0.404 0.833 0.667 CB 0.421 ? Z: 7 4.176 1.677 0.537 0.514 0.833 0.667 CB 0.782 7 residues pruned to eliminate duplicates Z: 11 5.640 1.700 0.289 0.317 0.800 0.400 CA 1.246 11 residues pruned to eliminate duplicates Z: 10 3.767 1.516 0.288 0.359 0.778 0.667 CA 0.962 10 residues pruned to eliminate duplicates Z: 8 3.755 1.431 0.519 0.339 0.714 0.429 CA 1.089 Z: 6 2.283 1.499 0.031 0.282 0.800 0.400 CA 1.055 Z: 13 4.527 1.795 0.138 0.210 0.833 0.417 CA 1.082 13 residues pruned to eliminate duplicates Z: 7 4.131 1.761 -0.022 0.449 1.000 0.667 CA 1.032 Z: 25 20.191 2.035 0.214 0.599 0.958 0.750 CA 1.584 25 residues pruned to eliminate duplicates Z: 21 22.938 1.936 0.746 0.882 1.000 0.500 CA 1.098 20 residues pruned to eliminate duplicates Z: 10 10.525 1.709 0.745 0.802 0.778 0.444 CB 1.162 10 residues pruned to eliminate duplicates Z: 17 14.302 1.993 0.129 0.643 0.938 0.562 CA 1.484 13 residues pruned to eliminate duplicates Z: 22 9.711 2.018 0.159 0.393 0.810 0.476 CB 1.253 22 residues pruned to eliminate duplicates Z: 12 6.473 1.617 0.387 0.493 0.909 0.545 CB 0.964 12 residues pruned to eliminate duplicates Z: 18 11.186 1.941 0.247 0.296 0.882 0.353 CB 1.596 18 residues pruned to eliminate duplicates Z: 12 7.895 2.064 0.170 0.310 1.000 0.636 CA 1.217 12 residues pruned to eliminate duplicates Z: 6 5.498 1.354 0.458 0.589 1.000 0.600 N 1.143 Z: 23 17.426 1.793 0.645 0.617 1.000 0.591 CA 1.128 23 residues pruned to eliminate duplicates Z: 17 18.676 1.934 0.517 0.859 0.875 0.875 CA 1.339 17 residues pruned to eliminate duplicates Z: 6 3.280 1.557 -0.168 0.721 0.800 0.600 N 1.159 Z: 22 35.001 2.024 0.768 0.913 0.905 0.619 CB 1.670 22 residues pruned to eliminate duplicates Z: 20 11.155 2.067 0.250 0.381 0.842 0.421 CA 1.335 20 residues pruned to eliminate duplicates Z: 7 6.416 1.785 0.277 0.563 1.000 0.833 N 1.081 7 residues pruned to eliminate duplicates Z: 9 12.188 1.862 0.510 0.613 1.000 0.750 N 1.378 9 residues pruned to eliminate duplicates Z: 10 5.611 1.781 0.017 0.333 0.889 0.667 N 1.395 10 residues pruned to eliminate duplicates Z: 18 8.283 1.934 0.036 0.336 0.882 0.412 CB 1.360 18 residues pruned to eliminate duplicates Z: 12 14.431 1.865 0.590 0.827 1.000 0.636 CA 1.106 11 residues pruned to eliminate duplicates 7 1.530 1.229 0.575 0.272 0.500 0.333 CB 0.836 ? Z: 7 3.619 1.394 0.991 0.219 0.833 0.667 CB 0.889 Z: 6 3.541 1.561 0.605 0.435 1.000 0.600 CB 0.676 Z: 25 12.266 1.943 0.305 0.396 0.875 0.458 CA 1.260 25 residues pruned to eliminate duplicates Z: 19 17.832 2.057 0.653 0.897 0.667 0.389 CB 1.327 19 residues pruned to eliminate duplicates Z: 18 16.513 2.035 0.380 0.527 1.000 0.706 CB 1.388 18 residues pruned to eliminate duplicates Z: 7 3.606 1.615 0.063 0.463 0.833 0.167 CB 1.068 Z: 13 7.088 1.588 0.332 0.571 0.833 0.500 N 1.084 13 residues pruned to eliminate duplicates Z: 16 27.993 2.193 0.694 0.839 1.000 0.933 CA 1.452 16 residues pruned to eliminate duplicates Z: 14 3.310 1.262 0.335 0.360 0.692 0.385 CB 0.915 Z: 8 3.472 1.347 0.240 0.509 0.714 0.286 C 1.090 8 residues pruned to eliminate duplicates Z: 12 10.530 1.942 0.432 0.514 0.818 0.545 CA 1.376 12 residues pruned to eliminate duplicates Z: 7 4.722 1.626 0.076 0.564 0.833 0.667 CA 1.242 Z: 31 15.549 2.034 0.273 0.479 0.867 0.367 CB 1.292 31 residues pruned to eliminate duplicates Z: 14 6.185 1.871 0.132 0.328 0.846 0.308 CB 1.157 14 residues pruned to eliminate duplicates Z: 11 8.961 1.953 0.371 0.325 1.000 0.400 CB 1.283 10 residues pruned to eliminate duplicates Z: 25 20.887 2.030 0.712 0.553 0.833 0.667 CA 1.399 25 residues pruned to eliminate duplicates Z: 6 5.046 1.512 1.084 0.363 0.800 0.600 CB 1.037 Z: 15 9.715 1.693 0.503 0.436 0.857 0.429 CB 1.272 13 residues pruned to eliminate duplicates Z: 8 2.910 1.749 0.072 0.197 0.857 0.143 CB 0.982 8 residues pruned to eliminate duplicates Z: 29 20.699 2.072 0.701 0.651 0.750 0.321 CA 1.287 28 residues pruned to eliminate duplicates Z: 12 10.348 1.751 0.703 0.483 0.727 0.364 CA 1.463 12 residues pruned to eliminate duplicates Z: 17 18.714 1.934 0.553 0.557 0.938 0.625 CA 1.571 17 residues pruned to eliminate duplicates Z: 17 12.733 2.136 0.364 0.361 0.750 0.562 CA 1.691 17 residues pruned to eliminate duplicates Z: 10 5.379 1.488 0.299 0.430 0.889 0.556 CB 1.122 Z: 10 4.617 1.566 0.309 0.387 0.778 0.667 CB 1.088 6 residues pruned to eliminate duplicates Z: 7 4.532 1.347 0.487 0.459 1.000 0.833 CB 0.963 Z: 22 13.830 1.976 0.454 0.444 0.905 0.381 CB 1.230 22 residues pruned to eliminate duplicates Z: 13 6.385 1.678 0.294 0.484 0.917 0.500 CB 0.941 13 residues pruned to eliminate duplicates Z: 9 5.795 1.787 -0.171 0.617 0.875 0.625 CA 1.416 9 residues pruned to eliminate duplicates Z: 9 8.071 2.108 -0.176 0.805 0.875 0.625 CB 1.440 9 residues pruned to eliminate duplicates 7 0.966 1.617 0.381 0.316 0.667 0.333 CB 0.325 ? Z: 60 17.806 1.943 0.338 0.293 0.797 0.356 CB 1.412 60 residues pruned to eliminate duplicates Z: 6 3.257 1.320 0.560 0.583 0.800 0.400 CB 0.816 Z: 6 2.250 1.746 -0.158 0.382 0.800 0.400 CB 0.970 6 residues pruned to eliminate duplicates Z: 15 17.107 2.086 0.431 0.480 1.000 0.571 CA 1.562 15 residues pruned to eliminate duplicates Z: 6 6.182 1.325 0.818 0.807 1.000 0.800 CB 0.878 Z: 7 6.279 1.909 0.307 0.563 0.833 0.667 CB 1.161 Z: 10 2.903 1.491 0.262 0.341 0.667 0.333 CA 0.917 10 residues pruned to eliminate duplicates Z: 9 2.774 1.509 0.248 0.274 0.750 0.750 CB 0.897 Z: 46 28.257 1.937 0.638 0.550 0.911 0.667 CA 1.388 46 residues pruned to eliminate duplicates Z: 7 3.091 1.286 0.638 0.301 1.000 0.333 C 0.748 Z: 8 4.969 1.792 0.393 0.529 0.714 0.429 CA 1.023 8 residues pruned to eliminate duplicates Z: 21 43.197 2.327 0.731 0.900 1.000 0.550 CB 1.713 21 residues pruned to eliminate duplicates Z: 29 15.427 2.113 0.378 0.316 0.821 0.393 CB 1.495 29 residues pruned to eliminate duplicates Z: 22 26.462 1.953 0.592 0.829 1.000 0.714 CA 1.398 22 residues pruned to eliminate duplicates Z: 8 4.705 1.845 0.367 0.232 0.714 0.571 N 1.347 8 residues pruned to eliminate duplicates Z: 12 9.624 1.603 0.478 0.525 1.000 0.455 CB 1.194 12 residues pruned to eliminate duplicates Z: 24 16.343 2.212 0.402 0.315 0.870 0.522 CA 1.550 24 residues pruned to eliminate duplicates Z: 8 6.184 1.982 0.187 0.479 0.714 0.429 CA 1.421 8 residues pruned to eliminate duplicates Z: 7 3.712 1.670 0.065 0.366 1.000 0.667 O 0.984 6 residues pruned to eliminate duplicates Z: 7 4.420 1.489 0.122 0.641 1.000 0.500 C 0.947 Z: 21 18.611 1.865 0.595 0.479 0.900 0.550 CA 1.588 21 residues pruned to eliminate duplicates 6 1.417 1.346 0.289 0.294 0.800 0.600 CB 0.575 ? Z: 12 3.574 1.551 -0.104 0.370 0.818 0.545 CB 1.090 6 residues pruned to eliminate duplicates Z: 6 3.571 1.419 0.307 0.517 1.000 0.800 CB 0.847 Z: 9 9.298 1.854 0.694 0.387 0.875 0.500 CB 1.348 9 residues pruned to eliminate duplicates Z: 14 13.182 2.110 0.476 0.451 0.923 0.692 CA 1.337 26 residues pruned to eliminate duplicates Z: 37 10.429 1.789 0.241 0.246 0.778 0.361 CB 1.350 37 residues pruned to eliminate duplicates 7 1.723 1.758 0.039 0.378 0.500 0.333 CB 0.877 ? Z: 15 16.673 2.079 0.505 0.501 1.000 0.786 CA 1.422 23 residues pruned to eliminate duplicates Z: 7 10.033 1.592 0.456 0.837 1.000 0.667 N 1.322 7 residues pruned to eliminate duplicates Z: 7 2.063 1.391 0.525 0.118 0.667 0.167 CB 0.963 6 1.157 1.443 0.288 0.334 0.800 0.800 CB 0.417 ? Z: 9 9.127 1.941 0.524 0.402 0.875 0.625 CB 1.383 9 residues pruned to eliminate duplicates Z: 15 15.506 2.181 0.351 0.589 0.786 0.357 CA 1.643 15 residues pruned to eliminate duplicates Z: 12 6.570 1.829 0.201 0.376 0.818 0.364 CB 1.258 9 residues pruned to eliminate duplicates Z: 9 11.753 1.841 0.619 0.753 1.000 0.750 CA 1.112 9 residues pruned to eliminate duplicates Z: 7 3.361 1.414 0.279 0.389 0.833 0.500 CA 1.023 Z: 7 7.249 1.632 0.409 0.742 1.000 1.000 CA 1.036 7 residues pruned to eliminate duplicates Z: 67 39.699 2.207 0.520 0.541 0.879 0.485 CB 1.592 67 residues pruned to eliminate duplicates Z: 12 8.498 1.685 0.530 0.469 0.909 0.818 CA 1.128 12 residues pruned to eliminate duplicates Z: 7 2.612 1.724 0.049 0.559 0.833 0.667 CB 0.668 Z: 16 21.141 1.917 0.756 0.844 0.800 0.333 CA 1.508 16 residues pruned to eliminate duplicates Z: 8 5.865 1.712 0.176 0.659 1.000 0.571 CB 0.950 8 residues pruned to eliminate duplicates Z: 8 5.323 1.689 0.151 0.729 1.000 0.857 CB 0.842 Z: 30 10.917 1.755 0.381 0.345 0.793 0.448 CA 1.248 22 residues pruned to eliminate duplicates 6 1.604 1.208 0.360 0.407 0.800 0.600 C 0.602 ? Z: 15 5.945 1.604 0.255 0.406 0.786 0.500 CB 1.109 18 residues pruned to eliminate duplicates Z: 10 2.787 1.675 0.157 0.359 0.556 0.444 CA 1.004 10 residues pruned to eliminate duplicates Z: 7 2.331 1.212 0.663 0.289 0.833 0.333 CB 0.718 8 1.611 1.546 0.195 0.424 0.714 0.429 CB 0.500 ? Z: 25 17.268 1.874 0.707 0.429 0.875 0.625 CB 1.356 25 residues pruned to eliminate duplicates Z: 20 20.400 1.905 0.489 0.854 1.000 0.737 CA 1.219 20 residues pruned to eliminate duplicates Z: 6 2.295 1.401 0.397 0.173 0.800 0.200 C 0.975 Z: 11 4.913 1.626 0.431 0.275 0.900 0.400 CB 0.957 11 residues pruned to eliminate duplicates 7 1.230 1.322 0.399 0.210 0.833 0.500 CB 0.459 ? Z: 11 9.224 2.096 0.210 0.457 0.800 0.500 CB 1.503 11 residues pruned to eliminate duplicates Z: 9 2.356 1.521 -0.215 0.294 0.750 0.500 O 1.171 Z: 21 23.396 2.240 0.530 0.645 0.900 0.650 CA 1.481 21 residues pruned to eliminate duplicates Z: 9 7.284 1.947 0.488 0.645 0.875 0.625 CB 0.887 9 residues pruned to eliminate duplicates Z: 27 21.206 2.276 0.430 0.336 0.962 0.346 CA 1.590 30 residues pruned to eliminate duplicates Z: 6 2.774 1.545 0.408 0.293 0.600 0.400 N 1.199 Z: 7 3.271 1.478 0.652 0.308 0.667 0.500 CB 1.015 Z: 6 4.459 1.731 0.283 0.633 0.800 0.800 CB 0.991 6 residues pruned to eliminate duplicates Z: 8 12.335 1.954 0.889 0.487 1.000 0.714 CA 1.280 8 residues pruned to eliminate duplicates Z: 7 5.700 1.920 0.483 0.367 1.000 0.333 CB 0.943 6 residues pruned to eliminate duplicates 6 1.375 1.308 -0.257 0.501 0.800 0.600 C 0.790 ? Z: 21 28.004 2.130 0.552 0.870 0.950 0.400 CB 1.455 25 residues pruned to eliminate duplicates Z: 7 3.672 1.270 0.256 0.404 1.000 0.500 CB 1.040 Z: 6 2.785 1.482 0.307 0.450 0.800 0.600 CA 0.846 Z: 8 2.256 1.287 0.235 0.270 0.857 0.571 CB 0.813 Z: 14 15.875 1.872 0.687 0.879 0.769 0.385 CA 1.315 14 residues pruned to eliminate duplicates 6 0.859 1.145 0.134 0.312 0.600 0.400 CB 0.607 ? Using tripeptides from previous cycle as seeds Z: 6 5.685 1.555 0.408 0.448 1.000 0.600 C 1.225 7 residues pruned to eliminate duplicates Z: 9 7.428 1.430 0.178 0.810 1.000 0.750 CB 1.190 9 residues pruned to eliminate duplicates Z: 14 12.767 1.711 0.473 0.523 1.000 0.692 CB 1.375 14 residues pruned to eliminate duplicates Z: 13 13.124 1.767 0.680 0.602 0.917 0.583 CB 1.263 13 residues pruned to eliminate duplicates Z: 12 17.952 1.835 0.782 0.687 1.000 0.818 CA 1.394 13 residues pruned to eliminate duplicates Z: 9 8.280 1.582 0.235 0.816 1.000 0.625 CB 1.139 9 residues pruned to eliminate duplicates Z: 13 13.108 1.817 0.484 0.643 1.000 0.500 CB 1.227 13 residues pruned to eliminate duplicates Z: 14 12.906 1.750 0.661 0.493 1.000 0.615 CB 1.240 14 residues pruned to eliminate duplicates Z: 13 14.827 1.857 0.607 0.646 1.000 0.667 CB 1.252 13 residues pruned to eliminate duplicates Z: 15 6.906 1.830 0.384 0.197 0.786 0.357 CB 1.331 15 residues pruned to eliminate duplicates Z: 6 2.646 1.738 0.465 0.245 0.600 0.200 CB 1.039 Z: 7 4.099 1.606 0.201 0.400 1.000 0.500 CB 0.963 5 residues pruned to eliminate duplicates Z: 7 3.320 1.463 0.629 0.403 0.833 0.667 CA 0.756 8 residues pruned to eliminate duplicates Z: 12 5.910 1.762 0.396 0.366 0.636 0.455 CB 1.314 10 residues pruned to eliminate duplicates Z: 7 6.498 1.757 1.177 0.553 0.667 0.667 CB 0.988 6 residues pruned to eliminate duplicates Z: 7 7.938 1.761 0.629 0.560 1.000 0.667 CB 1.066 7 residues pruned to eliminate duplicates Z: 8 3.948 1.850 0.782 0.551 0.571 0.286 CB 0.754 8 residues pruned to eliminate duplicates Z: 9 12.854 1.828 1.078 0.664 0.875 0.625 CB 1.175 7 residues pruned to eliminate duplicates Z: 6 5.053 1.621 0.403 0.635 1.000 0.600 CA 0.876 7 residues pruned to eliminate duplicates Z: 8 8.911 1.779 0.536 0.728 1.000 0.429 CA 1.004 8 residues pruned to eliminate duplicates Z: 13 9.455 1.864 0.230 0.546 0.833 0.500 CA 1.367 13 residues pruned to eliminate duplicates Z: 16 8.568 1.892 0.290 0.455 0.667 0.267 CA 1.424 16 residues pruned to eliminate duplicates Z: 14 10.772 1.856 0.351 0.439 0.846 0.231 CB 1.500 14 residues pruned to eliminate duplicates Z: 16 9.752 1.862 0.257 0.420 0.800 0.467 CA 1.462 16 residues pruned to eliminate duplicates Z: 17 10.503 1.852 0.372 0.380 0.875 0.500 CB 1.344 21 residues pruned to eliminate duplicates Z: 7 3.150 1.570 0.490 0.319 0.667 0.167 N 1.007 7 residues pruned to eliminate duplicates Z: 16 10.504 1.893 0.363 0.455 0.867 0.467 CA 1.269 16 residues pruned to eliminate duplicates Z: 13 9.620 1.777 0.854 0.301 0.750 0.417 CA 1.402 13 residues pruned to eliminate duplicates Z: 12 8.343 1.866 0.274 0.360 0.818 0.455 CA 1.502 12 residues pruned to eliminate duplicates Z: 15 10.399 1.857 0.382 0.427 0.786 0.286 CA 1.487 15 residues pruned to eliminate duplicates Z: 33 12.837 1.939 0.407 0.267 0.781 0.344 CB 1.387 33 residues pruned to eliminate duplicates Z: 18 13.812 2.004 0.512 0.387 0.882 0.412 CA 1.413 18 residues pruned to eliminate duplicates Z: 6 5.911 1.769 0.731 0.465 1.000 0.600 CB 0.895 6 residues pruned to eliminate duplicates Z: 54 20.435 1.989 0.390 0.309 0.849 0.415 CB 1.478 54 residues pruned to eliminate duplicates Z: 24 13.979 1.993 0.599 0.326 0.696 0.478 CA 1.592 24 residues pruned to eliminate duplicates Z: 26 14.231 1.927 0.408 0.343 0.840 0.360 CA 1.482 26 residues pruned to eliminate duplicates Z: 52 14.754 1.849 0.347 0.299 0.765 0.294 CA 1.357 52 residues pruned to eliminate duplicates Z: 18 12.119 2.158 0.296 0.402 0.706 0.529 CA 1.651 18 residues pruned to eliminate duplicates Z: 7 5.236 1.874 0.467 0.248 0.833 0.333 N 1.247 7 residues pruned to eliminate duplicates Z: 24 13.853 1.985 0.698 0.352 0.696 0.478 CB 1.445 24 residues pruned to eliminate duplicates Z: 65 21.550 1.991 0.450 0.282 0.812 0.375 CB 1.469 65 residues pruned to eliminate duplicates Z: 25 15.209 2.025 0.414 0.314 0.875 0.417 CB 1.522 25 residues pruned to eliminate duplicates Z: 19 6.360 1.796 0.416 0.090 0.667 0.278 CB 1.499 19 residues pruned to eliminate duplicates Z: 29 10.452 1.861 0.395 0.238 0.714 0.500 CA 1.442 29 residues pruned to eliminate duplicates Z: 12 4.808 1.844 0.458 0.074 0.818 0.364 CB 1.148 12 residues pruned to eliminate duplicates Z: 17 6.516 1.842 0.352 0.205 0.688 0.375 CB 1.350 17 residues pruned to eliminate duplicates Z: 30 14.715 1.961 0.322 0.312 0.862 0.414 CA 1.506 30 residues pruned to eliminate duplicates Z: 35 13.321 1.906 0.504 0.254 0.765 0.382 CB 1.382 35 residues pruned to eliminate duplicates Z: 51 15.226 1.884 0.288 0.285 0.820 0.380 CB 1.379 51 residues pruned to eliminate duplicates Z: 9 3.849 1.815 0.249 0.070 0.750 0.375 CB 1.406 9 residues pruned to eliminate duplicates Z: 47 15.313 1.912 0.332 0.271 0.804 0.326 CB 1.430 47 residues pruned to eliminate duplicates Z: 21 7.413 1.782 0.479 0.129 0.800 0.350 CB 1.250 21 residues pruned to eliminate duplicates Z: 13 4.192 1.686 0.212 0.203 0.833 0.250 CA 1.011 13 residues pruned to eliminate duplicates Z: 17 6.497 1.782 0.230 0.197 0.812 0.250 CB 1.308 17 residues pruned to eliminate duplicates Z: 11 6.793 1.910 0.534 0.290 0.900 0.200 CB 1.031 11 residues pruned to eliminate duplicates Z: 49 16.070 1.927 0.479 0.285 0.812 0.312 CB 1.277 49 residues pruned to eliminate duplicates Z: 17 10.420 1.771 0.528 0.300 0.875 0.438 CB 1.375 17 residues pruned to eliminate duplicates Z: 33 11.479 1.872 0.384 0.283 0.781 0.344 CB 1.281 33 residues pruned to eliminate duplicates Z: 15 8.175 1.822 0.337 0.353 0.786 0.286 CB 1.338 15 residues pruned to eliminate duplicates Z: 29 9.705 1.811 0.360 0.225 0.786 0.214 CB 1.307 29 residues pruned to eliminate duplicates Z: 19 9.612 1.938 0.244 0.293 0.833 0.389 CB 1.422 19 residues pruned to eliminate duplicates Z: 38 14.097 1.936 0.300 0.288 0.865 0.351 CB 1.351 39 residues pruned to eliminate duplicates Z: 6 3.935 1.520 0.208 0.448 1.000 0.800 N 1.011 6 residues pruned to eliminate duplicates Z: 12 6.193 1.800 0.171 0.462 0.818 0.455 N 1.125 12 residues pruned to eliminate duplicates Z: 12 11.072 1.886 0.246 0.475 1.000 0.455 N 1.458 12 residues pruned to eliminate duplicates Z: 29 12.685 1.956 0.299 0.317 0.857 0.393 CB 1.347 29 residues pruned to eliminate duplicates Z: 23 9.513 1.868 0.301 0.247 0.864 0.364 CB 1.294 23 residues pruned to eliminate duplicates Z: 26 10.079 1.935 0.268 0.265 0.760 0.320 CB 1.413 26 residues pruned to eliminate duplicates Z: 22 11.384 1.914 0.360 0.272 0.857 0.381 CB 1.441 22 residues pruned to eliminate duplicates Z: 22 10.506 1.991 0.261 0.305 0.810 0.429 CB 1.400 22 residues pruned to eliminate duplicates Z: 40 13.657 1.882 0.313 0.275 0.846 0.308 CB 1.349 40 residues pruned to eliminate duplicates Z: 13 7.210 1.997 0.168 0.288 0.833 0.333 CB 1.359 13 residues pruned to eliminate duplicates Z: 15 8.489 1.929 0.369 0.273 0.786 0.286 CB 1.416 15 residues pruned to eliminate duplicates Z: 21 9.589 2.042 0.148 0.273 0.800 0.500 CB 1.479 21 residues pruned to eliminate duplicates Z: 16 6.216 1.904 0.153 0.253 0.733 0.200 CB 1.324 16 residues pruned to eliminate duplicates Z: 23 9.699 1.899 0.297 0.302 0.818 0.364 CB 1.279 23 residues pruned to eliminate duplicates Z: 32 13.637 1.958 0.336 0.310 0.806 0.452 CB 1.433 31 residues pruned to eliminate duplicates Z: 7 4.852 1.644 0.049 0.387 1.000 0.500 CB 1.295 7 residues pruned to eliminate duplicates Z: 33 13.835 1.953 0.324 0.295 0.812 0.438 CB 1.463 33 residues pruned to eliminate duplicates Z: 21 7.230 1.854 0.158 0.276 0.800 0.400 CB 1.213 18 residues pruned to eliminate duplicates Z: 6 4.376 1.612 0.327 0.352 0.800 0.000 CB 1.342 6 residues pruned to eliminate duplicates Z: 20 14.756 1.960 0.303 0.464 0.947 0.579 CA 1.451 20 residues pruned to eliminate duplicates Z: 18 17.501 2.055 0.357 0.537 1.000 0.647 CA 1.468 18 residues pruned to eliminate duplicates Z: 19 19.347 2.074 0.392 0.532 1.000 0.667 CB 1.530 19 residues pruned to eliminate duplicates Z: 17 17.233 2.094 0.371 0.537 1.000 0.750 CB 1.447 17 residues pruned to eliminate duplicates Z: 19 10.947 1.948 0.289 0.377 0.833 0.556 CB 1.407 19 residues pruned to eliminate duplicates Z: 18 18.911 2.044 0.428 0.527 1.000 0.647 CB 1.530 18 residues pruned to eliminate duplicates Z: 21 16.015 1.959 0.277 0.501 0.950 0.550 CB 1.505 21 residues pruned to eliminate duplicates Z: 19 17.291 2.039 0.327 0.516 1.000 0.611 CB 1.483 19 residues pruned to eliminate duplicates Z: 20 16.721 2.033 0.403 0.488 0.895 0.579 CB 1.521 20 residues pruned to eliminate duplicates Z: 22 14.562 1.926 0.270 0.493 0.905 0.619 CB 1.447 22 residues pruned to eliminate duplicates Z: 18 18.016 2.113 0.484 0.483 0.941 0.529 CB 1.506 18 residues pruned to eliminate duplicates Z: 21 18.489 1.961 0.594 0.502 0.950 0.600 CB 1.389 20 residues pruned to eliminate duplicates Z: 6 3.689 1.711 0.634 0.243 0.600 0.200 C 1.324 5 residues pruned to eliminate duplicates Z: 6 5.586 1.633 0.605 0.395 1.000 0.200 CA 1.065 6 residues pruned to eliminate duplicates Z: 11 11.340 1.932 0.523 0.477 0.900 0.600 CB 1.385 11 residues pruned to eliminate duplicates Z: 9 18.169 2.188 0.568 0.606 1.000 0.750 CA 1.693 10 residues pruned to eliminate duplicates Z: 8 9.295 1.581 0.390 0.772 1.000 0.714 N 1.257 8 residues pruned to eliminate duplicates Z: 9 10.572 2.040 0.550 0.406 0.875 0.375 CB 1.492 9 residues pruned to eliminate duplicates Z: 16 6.354 1.501 0.674 0.274 0.800 0.400 CB 1.055 8 residues pruned to eliminate duplicates Z: 12 3.948 1.667 0.084 0.300 0.909 0.364 CA 0.905 13 residues pruned to eliminate duplicates Z: 11 5.203 1.596 0.313 0.556 0.900 0.400 CB 0.826 8 residues pruned to eliminate duplicates Z: 12 6.302 1.805 0.311 0.390 0.727 0.273 CB 1.240 12 residues pruned to eliminate duplicates Z: 24 8.110 1.643 0.250 0.393 0.870 0.478 CB 1.061 26 residues pruned to eliminate duplicates Z: 9 6.256 1.662 0.483 0.633 0.875 0.250 CB 0.905 9 residues pruned to eliminate duplicates Z: 12 4.605 1.635 0.313 0.420 0.818 0.545 CB 0.859 12 residues pruned to eliminate duplicates Z: 8 4.978 1.591 0.225 0.421 1.000 0.714 CB 1.048 8 residues pruned to eliminate duplicates Z: 9 4.528 1.584 0.167 0.364 0.875 0.500 CB 1.146 9 residues pruned to eliminate duplicates Z: 12 2.733 1.378 0.236 0.173 0.818 0.364 CB 0.878 6 residues pruned to eliminate duplicates Z: 6 4.287 1.596 0.481 0.480 0.800 0.600 CA 1.034 6 residues pruned to eliminate duplicates Z: 10 6.496 1.932 0.129 0.395 0.778 0.333 CA 1.426 10 residues pruned to eliminate duplicates Z: 10 9.082 1.960 0.199 0.444 0.889 0.444 CA 1.535 12 residues pruned to eliminate duplicates Z: 8 4.899 1.583 0.496 0.486 0.857 0.571 CA 0.925 8 residues pruned to eliminate duplicates Z: 10 8.168 1.853 0.349 0.474 0.889 0.333 CA 1.258 10 residues pruned to eliminate duplicates Z: 11 2.781 1.683 0.468 0.150 0.500 0.100 CA 1.095 11 residues pruned to eliminate duplicates Z: 13 9.118 1.917 0.565 0.477 0.750 0.583 CB 1.198 13 residues pruned to eliminate duplicates Z: 15 11.198 2.026 0.356 0.487 0.857 0.714 CA 1.289 15 residues pruned to eliminate duplicates Z: 12 11.925 2.030 0.544 0.548 0.909 0.727 CA 1.204 12 residues pruned to eliminate duplicates Z: 11 13.438 2.051 0.554 0.583 0.900 0.700 CB 1.368 11 residues pruned to eliminate duplicates Z: 15 11.778 1.944 0.493 0.476 1.000 0.643 CA 1.111 15 residues pruned to eliminate duplicates Z: 12 12.387 1.887 0.542 0.500 1.000 0.727 CB 1.283 11 residues pruned to eliminate duplicates Z: 7 3.234 1.414 0.803 0.399 0.667 0.500 CA 0.864 7 residues pruned to eliminate duplicates Z: 38 19.080 2.021 0.457 0.620 0.865 0.676 CA 1.099 37 residues pruned to eliminate duplicates Z: 18 15.756 1.892 0.481 0.798 0.824 0.647 CA 1.276 18 residues pruned to eliminate duplicates Z: 27 20.125 1.969 0.576 0.642 0.923 0.538 CA 1.207 27 residues pruned to eliminate duplicates Z: 22 15.482 2.077 0.361 0.550 0.905 0.524 CA 1.258 23 residues pruned to eliminate duplicates Z: 19 14.596 1.974 0.361 0.902 1.000 0.611 CA 0.913 19 residues pruned to eliminate duplicates Z: 27 24.758 2.103 0.593 0.744 0.923 0.654 CA 1.262 27 residues pruned to eliminate duplicates Z: 31 19.363 2.030 0.414 0.622 0.867 0.533 CA 1.265 31 residues pruned to eliminate duplicates Z: 25 17.266 2.016 0.403 0.649 0.917 0.542 CA 1.183 25 residues pruned to eliminate duplicates Z: 29 24.583 2.085 0.591 0.720 0.857 0.536 CA 1.339 29 residues pruned to eliminate duplicates Z: 13 19.059 2.079 1.113 0.844 0.833 0.417 CA 1.118 13 residues pruned to eliminate duplicates Z: 34 21.003 2.005 0.470 0.581 0.909 0.455 CA 1.263 34 residues pruned to eliminate duplicates Z: 34 22.383 1.952 0.657 0.622 0.818 0.485 CA 1.312 28 residues pruned to eliminate duplicates Z: 17 20.772 2.122 0.770 0.906 0.812 0.375 CA 1.210 17 residues pruned to eliminate duplicates Z: 41 20.144 1.952 0.490 0.577 0.825 0.375 CA 1.231 41 residues pruned to eliminate duplicates Z: 18 22.524 2.123 0.778 0.834 0.824 0.412 CA 1.317 18 residues pruned to eliminate duplicates Z: 31 26.078 2.008 0.645 0.696 0.867 0.533 CA 1.391 31 residues pruned to eliminate duplicates Z: 32 23.547 2.047 0.580 0.668 0.871 0.581 CA 1.285 32 residues pruned to eliminate duplicates Z: 18 20.654 2.108 0.816 0.807 0.765 0.529 CA 1.310 18 residues pruned to eliminate duplicates Z: 27 28.552 2.095 0.755 0.721 0.923 0.538 CA 1.351 33 residues pruned to eliminate duplicates Z: 19 23.763 2.137 0.710 0.869 0.833 0.500 CA 1.343 19 residues pruned to eliminate duplicates Z: 18 17.451 1.992 0.759 0.720 0.765 0.176 CA 1.295 18 residues pruned to eliminate duplicates Z: 35 17.716 1.987 0.391 0.559 0.882 0.500 CA 1.177 35 residues pruned to eliminate duplicates Z: 26 19.851 2.031 0.642 0.661 0.880 0.440 CA 1.166 26 residues pruned to eliminate duplicates Z: 48 31.786 2.062 0.445 0.660 0.979 0.553 CA 1.371 48 residues pruned to eliminate duplicates Z: 14 13.825 2.058 0.229 0.685 0.923 0.615 CA 1.385 14 residues pruned to eliminate duplicates Z: 21 12.297 1.987 0.099 0.501 0.950 0.600 CA 1.325 21 residues pruned to eliminate duplicates Z: 13 13.602 1.980 0.074 0.774 1.000 0.583 CB 1.450 13 residues pruned to eliminate duplicates Z: 22 14.370 1.963 0.264 0.514 0.905 0.524 CA 1.377 21 residues pruned to eliminate duplicates Z: 12 12.659 2.019 0.101 0.796 0.909 0.545 CA 1.457 12 residues pruned to eliminate duplicates Z: 24 15.528 1.965 0.412 0.563 0.870 0.435 CA 1.262 23 residues pruned to eliminate duplicates Z: 14 17.383 1.953 0.422 0.757 1.000 0.462 CA 1.380 14 residues pruned to eliminate duplicates Z: 49 30.566 2.047 0.519 0.663 0.917 0.583 CA 1.331 49 residues pruned to eliminate duplicates Z: 30 13.699 1.826 0.266 0.512 0.828 0.483 CB 1.314 24 residues pruned to eliminate duplicates Z: 12 18.993 2.094 0.458 0.810 1.000 0.636 CB 1.432 12 residues pruned to eliminate duplicates Z: 48 24.685 1.979 0.456 0.627 0.936 0.468 CA 1.184 48 residues pruned to eliminate duplicates Z: 20 15.065 1.904 0.331 0.615 0.895 0.368 CA 1.366 20 residues pruned to eliminate duplicates Z: 17 17.998 2.095 0.271 0.675 1.000 0.500 CB 1.438 17 residues pruned to eliminate duplicates Z: 17 13.945 2.061 0.278 0.652 0.938 0.500 CB 1.225 17 residues pruned to eliminate duplicates Z: 36 20.128 1.916 0.492 0.470 0.857 0.543 CA 1.432 36 residues pruned to eliminate duplicates Z: 10 3.848 1.752 0.239 0.288 0.667 0.333 CB 1.125 10 residues pruned to eliminate duplicates Z: 56 30.085 1.990 0.470 0.639 0.945 0.600 CA 1.288 56 residues pruned to eliminate duplicates Z: 38 28.529 1.950 0.613 0.631 0.946 0.676 CB 1.393 38 residues pruned to eliminate duplicates Z: 46 31.901 2.010 0.544 0.577 0.978 0.556 CA 1.455 46 residues pruned to eliminate duplicates Z: 14 10.627 1.961 0.865 0.398 0.769 0.462 CB 1.167 14 residues pruned to eliminate duplicates Z: 41 31.722 1.989 0.647 0.596 0.950 0.625 CA 1.471 41 residues pruned to eliminate duplicates Z: 6 5.863 1.662 0.641 0.376 1.000 0.400 CA 1.097 6 residues pruned to eliminate duplicates Z: 43 32.238 1.985 0.707 0.582 0.929 0.667 CB 1.461 43 residues pruned to eliminate duplicates Z: 31 28.608 2.090 0.710 0.648 0.867 0.733 CA 1.469 31 residues pruned to eliminate duplicates Z: 28 24.281 2.066 0.668 0.532 0.889 0.630 CA 1.478 28 residues pruned to eliminate duplicates Z: 41 26.965 1.916 0.488 0.584 0.925 0.650 CA 1.492 41 residues pruned to eliminate duplicates Z: 41 27.934 1.937 0.631 0.605 0.900 0.600 CA 1.405 41 residues pruned to eliminate duplicates Z: 41 27.722 2.018 0.506 0.578 0.925 0.700 CA 1.445 41 residues pruned to eliminate duplicates Z: 41 33.021 2.026 0.674 0.611 0.900 0.625 CA 1.540 38 residues pruned to eliminate duplicates Z: 22 31.403 2.018 0.656 0.865 1.000 0.714 CA 1.503 22 residues pruned to eliminate duplicates Z: 43 37.199 2.025 0.710 0.626 0.952 0.571 CB 1.546 44 residues pruned to eliminate duplicates Z: 23 34.104 1.990 0.678 0.899 1.000 0.545 CA 1.557 23 residues pruned to eliminate duplicates Z: 32 26.248 2.011 0.563 0.639 0.871 0.548 CB 1.512 32 residues pruned to eliminate duplicates Z: 38 32.145 2.014 0.581 0.642 0.946 0.514 CA 1.535 38 residues pruned to eliminate duplicates Z: 32 36.997 2.087 0.796 0.659 0.968 0.484 CA 1.580 32 residues pruned to eliminate duplicates Z: 44 24.958 1.893 0.629 0.547 0.860 0.465 CB 1.370 44 residues pruned to eliminate duplicates Z: 42 26.819 1.975 0.582 0.570 0.854 0.463 CB 1.468 42 residues pruned to eliminate duplicates Z: 17 26.401 1.980 0.864 0.700 0.938 0.438 CA 1.590 17 residues pruned to eliminate duplicates Z: 43 32.121 2.007 0.715 0.556 0.929 0.524 CB 1.469 43 residues pruned to eliminate duplicates Z: 36 27.767 1.985 0.669 0.637 0.886 0.486 CB 1.407 36 residues pruned to eliminate duplicates Z: 53 34.389 1.944 0.798 0.612 0.808 0.442 CB 1.519 53 residues pruned to eliminate duplicates Z: 40 30.293 2.042 0.665 0.612 0.872 0.564 CB 1.472 40 residues pruned to eliminate duplicates Z: 41 26.151 1.958 0.721 0.582 0.825 0.475 CB 1.375 41 residues pruned to eliminate duplicates Z: 44 35.704 1.970 0.810 0.587 0.907 0.442 CA 1.549 44 residues pruned to eliminate duplicates Z: 37 24.712 1.971 0.724 0.479 0.889 0.417 CB 1.393 37 residues pruned to eliminate duplicates Z: 10 8.033 1.873 0.626 0.382 0.778 0.444 CB 1.281 10 residues pruned to eliminate duplicates Z: 18 16.028 1.891 0.540 0.651 0.765 0.235 CB 1.517 19 residues pruned to eliminate duplicates Z: 6 2.421 1.615 0.249 0.292 0.600 0.400 CA 1.129 6 residues pruned to eliminate duplicates Z: 12 6.466 1.859 0.384 0.345 0.727 0.364 CB 1.233 12 residues pruned to eliminate duplicates Z: 9 11.401 1.942 0.670 0.473 1.000 0.625 CB 1.277 9 residues pruned to eliminate duplicates Z: 10 12.127 1.904 0.667 0.458 1.000 0.556 CB 1.330 10 residues pruned to eliminate duplicates Z: 28 19.606 2.205 0.504 0.304 0.926 0.444 CA 1.528 28 residues pruned to eliminate duplicates Z: 16 15.439 2.174 0.623 0.321 1.000 0.333 CB 1.376 15 residues pruned to eliminate duplicates Z: 14 14.971 2.193 0.749 0.324 0.923 0.462 CA 1.423 15 residues pruned to eliminate duplicates Z: 28 23.174 2.253 0.470 0.391 0.963 0.593 CA 1.569 28 residues pruned to eliminate duplicates Z: 33 19.294 2.101 0.390 0.302 0.969 0.406 CA 1.503 33 residues pruned to eliminate duplicates Z: 28 25.839 2.249 0.556 0.373 1.000 0.519 CB 1.629 28 residues pruned to eliminate duplicates Z: 28 21.264 2.229 0.477 0.352 0.963 0.407 CA 1.515 28 residues pruned to eliminate duplicates Z: 30 17.189 2.157 0.305 0.304 0.897 0.414 CA 1.574 30 residues pruned to eliminate duplicates Z: 30 21.520 2.209 0.484 0.293 0.931 0.379 CA 1.650 30 residues pruned to eliminate duplicates Z: 28 19.602 2.252 0.360 0.310 0.926 0.556 CA 1.642 27 residues pruned to eliminate duplicates Z: 33 19.209 2.087 0.422 0.294 0.938 0.469 CA 1.538 29 residues pruned to eliminate duplicates Z: 28 20.477 2.244 0.458 0.332 0.926 0.519 CA 1.563 28 residues pruned to eliminate duplicates Z: 29 22.419 2.215 0.473 0.367 0.964 0.571 CA 1.553 29 residues pruned to eliminate duplicates Z: 27 19.668 2.289 0.398 0.310 0.962 0.462 CA 1.546 27 residues pruned to eliminate duplicates Z: 29 18.851 2.195 0.408 0.294 0.929 0.429 CA 1.563 29 residues pruned to eliminate duplicates Z: 27 20.654 2.306 0.393 0.324 0.923 0.538 CA 1.657 27 residues pruned to eliminate duplicates Z: 35 17.461 2.023 0.456 0.252 0.941 0.441 CA 1.435 34 residues pruned to eliminate duplicates Z: 27 20.667 2.270 0.464 0.301 1.000 0.385 CA 1.522 27 residues pruned to eliminate duplicates Z: 22 15.989 2.261 0.450 0.249 0.952 0.524 CA 1.491 22 residues pruned to eliminate duplicates Z: 17 15.162 2.200 0.423 0.340 0.938 0.688 CA 1.537 17 residues pruned to eliminate duplicates Z: 18 15.038 2.197 0.447 0.374 0.882 0.588 CA 1.487 18 residues pruned to eliminate duplicates Z: 29 20.719 2.196 0.417 0.336 0.964 0.500 CA 1.560 29 residues pruned to eliminate duplicates Z: 30 17.699 2.169 0.432 0.307 0.862 0.483 CA 1.520 30 residues pruned to eliminate duplicates Z: 26 19.835 2.269 0.546 0.347 0.880 0.520 CA 1.517 26 residues pruned to eliminate duplicates Z: 30 17.739 2.096 0.541 0.296 0.862 0.448 CA 1.486 30 residues pruned to eliminate duplicates Z: 64 24.233 2.130 0.370 0.289 0.873 0.381 CB 1.519 64 residues pruned to eliminate duplicates Z: 52 22.996 2.172 0.440 0.300 0.843 0.471 CB 1.526 52 residues pruned to eliminate duplicates Z: 52 21.463 2.147 0.403 0.294 0.863 0.412 CA 1.456 52 residues pruned to eliminate duplicates Z: 29 15.405 2.089 0.241 0.365 0.929 0.500 CB 1.398 29 residues pruned to eliminate duplicates Z: 47 17.305 1.908 0.420 0.395 0.804 0.543 CB 1.309 45 residues pruned to eliminate duplicates Z: 6 5.062 1.646 0.665 0.458 0.800 0.600 CB 1.078 6 residues pruned to eliminate duplicates Z: 17 8.944 2.056 0.320 0.313 0.750 0.375 CB 1.352 17 residues pruned to eliminate duplicates Z: 28 16.843 2.122 0.444 0.353 0.815 0.519 CB 1.523 28 residues pruned to eliminate duplicates Z: 34 16.074 2.073 0.203 0.336 0.909 0.364 CA 1.477 34 residues pruned to eliminate duplicates Z: 29 12.851 2.086 0.156 0.331 0.821 0.536 CB 1.476 29 residues pruned to eliminate duplicates Z: 28 13.485 2.134 0.152 0.339 0.852 0.407 CB 1.477 28 residues pruned to eliminate duplicates Z: 26 12.920 2.000 0.236 0.356 0.880 0.520 CB 1.387 26 residues pruned to eliminate duplicates Z: 16 6.306 2.115 0.137 0.260 0.667 0.333 CB 1.337 16 residues pruned to eliminate duplicates Z: 16 8.705 2.153 0.109 0.294 0.800 0.133 CB 1.481 16 residues pruned to eliminate duplicates Z: 30 15.517 2.090 0.267 0.300 0.897 0.414 CB 1.518 30 residues pruned to eliminate duplicates Z: 12 4.247 2.032 0.177 0.154 0.636 0.091 CB 1.286 12 residues pruned to eliminate duplicates Z: 23 10.531 1.938 0.405 0.269 0.727 0.455 CB 1.475 23 residues pruned to eliminate duplicates Z: 13 6.466 1.992 0.196 0.283 0.833 0.417 CB 1.200 13 residues pruned to eliminate duplicates Z: 35 16.129 2.055 0.286 0.349 0.853 0.441 CB 1.446 35 residues pruned to eliminate duplicates Z: 34 17.145 2.066 0.286 0.343 0.909 0.455 CB 1.466 34 residues pruned to eliminate duplicates Z: 91 32.626 2.135 0.407 0.478 0.822 0.500 CB 1.424 91 residues pruned to eliminate duplicates Z: 77 45.205 2.212 0.436 0.580 0.934 0.487 CB 1.618 77 residues pruned to eliminate duplicates Z: 26 25.508 2.242 0.581 0.519 0.880 0.480 CA 1.605 26 residues pruned to eliminate duplicates Z: 68 42.251 2.227 0.424 0.610 0.925 0.567 CB 1.585 68 residues pruned to eliminate duplicates Z: 38 26.461 2.176 0.460 0.474 0.892 0.568 CB 1.575 38 residues pruned to eliminate duplicates Z: 49 35.712 2.242 0.325 0.642 0.938 0.583 CB 1.621 49 residues pruned to eliminate duplicates Z: 39 33.324 2.231 0.437 0.597 0.947 0.605 CA 1.622 39 residues pruned to eliminate duplicates Z: 21 24.891 2.273 0.563 0.574 0.900 0.600 CA 1.620 19 residues pruned to eliminate duplicates Z: 23 27.714 2.255 0.284 0.800 0.955 0.591 CA 1.645 23 residues pruned to eliminate duplicates Z: 38 35.337 2.264 0.585 0.611 0.892 0.595 CB 1.633 39 residues pruned to eliminate duplicates Z: 15 33.460 2.356 0.473 0.901 1.000 0.714 CB 1.839 15 residues pruned to eliminate duplicates Z: 53 41.492 2.273 0.400 0.620 0.962 0.538 CB 1.678 53 residues pruned to eliminate duplicates Z: 38 36.128 2.280 0.487 0.638 0.919 0.568 CA 1.676 38 residues pruned to eliminate duplicates Z: 29 39.164 2.308 0.669 0.697 0.964 0.464 CB 1.665 29 residues pruned to eliminate duplicates Z: 44 37.500 2.255 0.589 0.642 0.884 0.512 CB 1.582 44 residues pruned to eliminate duplicates Z: 37 36.155 2.285 0.546 0.634 0.972 0.500 CB 1.548 38 residues pruned to eliminate duplicates Z: 19 39.119 2.316 0.755 0.920 0.889 0.667 CB 1.797 19 residues pruned to eliminate duplicates Z: 47 33.720 2.193 0.511 0.525 0.891 0.457 CB 1.643 47 residues pruned to eliminate duplicates Z: 52 37.288 2.270 0.570 0.596 0.863 0.490 CB 1.550 52 residues pruned to eliminate duplicates Z: 37 31.498 2.148 0.550 0.574 0.889 0.472 CB 1.651 37 residues pruned to eliminate duplicates Z: 30 37.512 2.225 0.682 0.695 0.931 0.517 CB 1.673 30 residues pruned to eliminate duplicates Z: 70 43.748 2.205 0.603 0.593 0.899 0.522 CB 1.518 71 residues pruned to eliminate duplicates Z: 15 26.133 2.252 0.766 0.863 0.857 0.357 CB 1.502 15 residues pruned to eliminate duplicates Z: 64 44.606 2.255 0.595 0.626 0.873 0.508 CB 1.589 64 residues pruned to eliminate duplicates Z: 31 32.540 2.196 0.692 0.664 0.833 0.533 CB 1.648 31 residues pruned to eliminate duplicates Z: 44 34.188 2.172 0.620 0.583 0.884 0.395 CB 1.549 44 residues pruned to eliminate duplicates Z: 31 39.456 2.319 0.637 0.691 0.967 0.467 CB 1.649 31 residues pruned to eliminate duplicates Z: 40 38.811 2.272 0.583 0.616 0.923 0.410 CA 1.678 40 residues pruned to eliminate duplicates Z: 72 41.902 2.220 0.444 0.588 0.901 0.493 CB 1.583 72 residues pruned to eliminate duplicates Z: 21 34.479 2.247 0.779 0.836 0.950 0.550 CB 1.520 21 residues pruned to eliminate duplicates Z: 36 44.918 2.318 0.780 0.666 0.943 0.514 CB 1.674 36 residues pruned to eliminate duplicates Z: 71 44.407 2.225 0.557 0.559 0.914 0.514 CB 1.582 71 residues pruned to eliminate duplicates Z: 48 30.922 2.170 0.509 0.503 0.915 0.553 CB 1.500 48 residues pruned to eliminate duplicates Z: 53 41.452 2.249 0.497 0.602 0.962 0.500 CB 1.611 53 residues pruned to eliminate duplicates Z: 71 39.950 2.196 0.569 0.594 0.843 0.486 CB 1.503 71 residues pruned to eliminate duplicates Z: 11 8.919 2.176 0.235 0.479 0.800 0.400 CB 1.340 11 residues pruned to eliminate duplicates Z: 42 42.600 2.272 0.607 0.642 0.976 0.512 CB 1.636 42 residues pruned to eliminate duplicates Z: 73 45.868 2.214 0.553 0.599 0.903 0.431 CB 1.584 73 residues pruned to eliminate duplicates Z: 68 42.774 2.220 0.553 0.568 0.910 0.463 CB 1.559 68 residues pruned to eliminate duplicates Z: 52 44.853 2.292 0.667 0.606 0.902 0.353 CB 1.647 51 residues pruned to eliminate duplicates Z: 6 3.891 1.887 0.166 0.728 0.800 0.400 CB 0.805 6 residues pruned to eliminate duplicates Z: 51 42.583 2.271 0.589 0.615 0.940 0.520 CB 1.592 51 residues pruned to eliminate duplicates Z: 52 40.444 2.269 0.476 0.602 0.922 0.431 CB 1.665 52 residues pruned to eliminate duplicates Z: 49 41.906 2.257 0.658 0.631 0.896 0.458 CB 1.596 50 residues pruned to eliminate duplicates Z: 7 9.024 1.815 0.805 0.459 1.000 0.667 CB 1.172 7 residues pruned to eliminate duplicates Z: 11 11.972 2.245 0.272 0.331 1.000 0.300 CB 1.596 11 residues pruned to eliminate duplicates Z: 52 37.327 2.259 0.548 0.596 0.863 0.373 CB 1.581 52 residues pruned to eliminate duplicates Z: 45 33.826 2.275 0.524 0.589 0.864 0.273 CB 1.565 45 residues pruned to eliminate duplicates Z: 38 24.214 2.040 0.640 0.451 0.865 0.459 CA 1.447 38 residues pruned to eliminate duplicates Z: 36 19.271 2.096 0.436 0.357 0.857 0.514 CB 1.473 36 residues pruned to eliminate duplicates Z: 13 11.616 2.078 0.476 0.299 0.917 0.250 CA 1.493 13 residues pruned to eliminate duplicates Z: 30 13.500 2.172 0.151 0.376 0.793 0.276 CB 1.443 30 residues pruned to eliminate duplicates Z: 32 25.597 2.025 0.717 0.452 0.935 0.484 CB 1.484 32 residues pruned to eliminate duplicates Z: 30 20.944 2.060 0.562 0.406 0.931 0.379 CB 1.433 30 residues pruned to eliminate duplicates Z: 32 23.148 2.067 0.666 0.396 0.871 0.387 CB 1.547 32 residues pruned to eliminate duplicates Z: 14 19.375 2.187 0.549 0.546 0.923 0.462 CB 1.643 14 residues pruned to eliminate duplicates Z: 70 48.005 2.229 0.640 0.586 0.913 0.435 CB 1.595 70 residues pruned to eliminate duplicates Z: 69 40.268 2.222 0.529 0.512 0.912 0.471 CB 1.558 69 residues pruned to eliminate duplicates Z: 47 24.474 2.092 0.496 0.370 0.870 0.370 CB 1.525 47 residues pruned to eliminate duplicates Z: 34 19.734 2.041 0.494 0.426 0.879 0.545 CA 1.384 34 residues pruned to eliminate duplicates Z: 31 25.307 2.103 0.614 0.489 0.867 0.500 CA 1.587 31 residues pruned to eliminate duplicates Z: 15 13.424 2.116 0.404 0.466 0.857 0.429 CB 1.458 15 residues pruned to eliminate duplicates Z: 65 32.221 2.153 0.482 0.473 0.859 0.375 CB 1.510 65 residues pruned to eliminate duplicates Z: 29 23.137 2.195 0.485 0.476 0.893 0.571 CB 1.540 29 residues pruned to eliminate duplicates Z: 18 22.154 2.070 0.824 0.600 0.882 0.529 CA 1.467 18 residues pruned to eliminate duplicates Z: 31 22.366 2.147 0.435 0.470 0.900 0.567 CB 1.518 31 residues pruned to eliminate duplicates Z: 21 15.974 2.080 0.479 0.491 0.800 0.500 CA 1.465 21 residues pruned to eliminate duplicates Z: 47 27.246 2.121 0.487 0.473 0.913 0.326 CB 1.433 47 residues pruned to eliminate duplicates Z: 14 20.115 2.030 0.665 0.687 0.923 0.615 CA 1.506 14 residues pruned to eliminate duplicates Z: 25 21.201 2.043 0.575 0.492 0.917 0.500 CA 1.480 25 residues pruned to eliminate duplicates Z: 16 23.614 1.986 0.777 0.675 0.933 0.533 CA 1.575 16 residues pruned to eliminate duplicates Z: 7 16.202 2.086 0.541 0.848 1.000 0.833 CA 1.526 7 residues pruned to eliminate duplicates Z: 24 19.388 2.126 0.304 0.703 0.826 0.739 CA 1.467 24 residues pruned to eliminate duplicates Z: 23 22.137 2.125 0.449 0.600 0.909 0.500 CA 1.533 23 residues pruned to eliminate duplicates Z: 17 20.182 2.140 0.418 0.633 0.938 0.625 CA 1.566 17 residues pruned to eliminate duplicates Z: 22 27.028 2.192 0.581 0.695 1.000 0.714 CB 1.425 20 residues pruned to eliminate duplicates Z: 13 25.943 2.275 0.517 0.885 1.000 0.750 CA 1.566 13 residues pruned to eliminate duplicates Z: 20 24.792 2.175 0.577 0.658 0.947 0.737 CA 1.512 20 residues pruned to eliminate duplicates Z: 26 29.382 2.145 0.642 0.676 0.920 0.640 CB 1.542 26 residues pruned to eliminate duplicates Z: 23 25.900 2.072 0.559 0.816 0.955 0.455 CA 1.361 23 residues pruned to eliminate duplicates Z: 19 21.109 2.173 0.660 0.688 0.833 0.500 CB 1.393 19 residues pruned to eliminate duplicates Z: 27 25.844 2.060 0.615 0.654 0.962 0.500 CA 1.372 27 residues pruned to eliminate duplicates Z: 26 22.450 2.068 0.649 0.681 0.800 0.520 CB 1.394 26 residues pruned to eliminate duplicates Z: 25 30.528 2.115 0.826 0.726 0.917 0.500 CB 1.436 26 residues pruned to eliminate duplicates Z: 19 36.925 2.210 1.105 0.892 0.944 0.667 CB 1.423 20 residues pruned to eliminate duplicates Z: 14 20.223 2.262 0.637 0.905 0.923 0.385 CB 1.168 14 residues pruned to eliminate duplicates Z: 25 21.112 2.069 0.623 0.702 0.750 0.292 CB 1.422 25 residues pruned to eliminate duplicates Z: 23 16.724 2.060 0.419 0.730 0.727 0.364 CB 1.364 23 residues pruned to eliminate duplicates Z: 25 32.115 2.133 0.796 0.707 0.958 0.375 CB 1.480 25 residues pruned to eliminate duplicates Z: 26 29.943 2.134 0.812 0.667 0.880 0.400 CB 1.508 26 residues pruned to eliminate duplicates Z: 25 24.412 2.115 0.723 0.676 0.792 0.458 CB 1.468 25 residues pruned to eliminate duplicates Z: 27 23.265 2.055 0.637 0.641 0.846 0.423 CA 1.405 27 residues pruned to eliminate duplicates Z: 27 29.284 2.043 0.857 0.670 0.923 0.308 CB 1.401 27 residues pruned to eliminate duplicates Z: 26 23.823 2.099 0.811 0.663 0.760 0.360 CB 1.417 26 residues pruned to eliminate duplicates Z: 26 25.939 2.033 0.797 0.704 0.880 0.280 CB 1.341 26 residues pruned to eliminate duplicates Z: 21 9.766 1.733 0.618 0.302 0.800 0.400 CB 1.214 12 residues pruned to eliminate duplicates Z: 6 4.435 1.734 0.523 0.393 0.800 0.400 CB 1.051 6 residues pruned to eliminate duplicates Z: 21 9.373 1.724 0.480 0.374 0.750 0.400 CA 1.253 20 residues pruned to eliminate duplicates Z: 8 7.233 1.749 0.462 0.573 0.857 0.714 CB 1.162 8 residues pruned to eliminate duplicates Z: 10 12.804 1.914 0.843 0.485 0.889 0.556 CB 1.382 10 residues pruned to eliminate duplicates Z: 7 4.535 1.768 0.803 0.624 1.000 0.333 CB 0.517 6 residues pruned to eliminate duplicates Z: 7 7.065 1.753 0.705 0.655 0.667 0.333 CB 1.254 7 residues pruned to eliminate duplicates Z: 12 9.071 1.802 0.802 0.384 1.000 0.545 CB 0.953 11 residues pruned to eliminate duplicates Z: 6 11.337 1.953 0.891 0.686 1.000 0.200 CB 1.158 8 residues pruned to eliminate duplicates Z: 7 8.309 1.773 0.831 0.571 0.833 0.333 CB 1.171 6 residues pruned to eliminate duplicates Z: 8 4.161 1.801 0.067 0.366 0.857 0.571 N 1.102 8 residues pruned to eliminate duplicates Z: 16 12.056 2.138 0.121 0.451 0.867 0.600 CA 1.576 16 residues pruned to eliminate duplicates Z: 24 11.088 1.916 0.213 0.437 0.783 0.435 CB 1.356 24 residues pruned to eliminate duplicates Z: 19 12.262 2.096 0.144 0.487 0.833 0.611 CA 1.464 19 residues pruned to eliminate duplicates Z: 20 14.398 2.029 0.322 0.475 0.789 0.526 N 1.599 20 residues pruned to eliminate duplicates Z: 18 13.124 1.984 0.294 0.425 0.882 0.647 CB 1.520 17 residues pruned to eliminate duplicates Z: 20 10.655 2.011 0.255 0.437 0.737 0.421 CA 1.403 20 residues pruned to eliminate duplicates Z: 20 13.770 2.021 0.266 0.410 0.842 0.474 CA 1.611 20 residues pruned to eliminate duplicates Z: 20 11.243 1.994 0.275 0.448 0.737 0.526 N 1.451 20 residues pruned to eliminate duplicates Z: 19 14.397 2.106 0.255 0.439 0.833 0.611 CA 1.641 21 residues pruned to eliminate duplicates Z: 6 4.672 1.691 0.287 0.385 0.800 0.400 CA 1.356 5 residues pruned to eliminate duplicates Z: 6 2.019 1.456 0.011 0.358 1.000 0.600 CA 0.715 6 residues pruned to eliminate duplicates Z: 19 10.947 2.056 0.199 0.378 0.778 0.556 CB 1.533 19 residues pruned to eliminate duplicates Z: 19 10.135 1.994 0.097 0.421 0.833 0.389 CB 1.424 19 residues pruned to eliminate duplicates Z: 13 8.536 1.987 0.224 0.299 0.833 0.500 CB 1.521 13 residues pruned to eliminate duplicates Z: 33 19.289 2.072 0.305 0.498 0.906 0.656 CA 1.394 33 residues pruned to eliminate duplicates Z: 33 21.302 2.101 0.321 0.480 0.906 0.656 CA 1.528 33 residues pruned to eliminate duplicates Z: 25 9.437 1.876 0.232 0.350 0.750 0.333 CB 1.307 25 residues pruned to eliminate duplicates Z: 35 19.257 2.029 0.296 0.474 0.912 0.588 CA 1.414 35 residues pruned to eliminate duplicates Z: 26 11.123 1.923 0.217 0.350 0.840 0.480 CA 1.332 26 residues pruned to eliminate duplicates Z: 15 11.457 2.113 0.277 0.391 0.857 0.429 CA 1.486 15 residues pruned to eliminate duplicates Z: 21 15.011 2.025 0.360 0.401 0.900 0.550 CB 1.504 24 residues pruned to eliminate duplicates Z: 34 17.909 2.036 0.302 0.464 0.879 0.545 CA 1.389 34 residues pruned to eliminate duplicates Z: 16 13.604 2.060 0.227 0.499 1.000 0.600 CA 1.391 16 residues pruned to eliminate duplicates Z: 35 22.101 2.018 0.413 0.454 0.912 0.618 CB 1.528 35 residues pruned to eliminate duplicates Z: 33 21.421 2.058 0.325 0.478 0.969 0.656 CA 1.466 33 residues pruned to eliminate duplicates Z: 28 13.946 1.984 0.205 0.333 0.889 0.481 CB 1.517 28 residues pruned to eliminate duplicates Z: 29 12.502 1.852 0.346 0.291 0.893 0.429 CB 1.342 29 residues pruned to eliminate duplicates Z: 23 16.180 2.006 0.219 0.534 0.955 0.727 CA 1.429 23 residues pruned to eliminate duplicates Z: 34 22.340 2.047 0.404 0.481 0.970 0.545 CB 1.422 34 residues pruned to eliminate duplicates Z: 18 8.144 1.732 0.406 0.392 0.765 0.471 CA 1.188 18 residues pruned to eliminate duplicates Z: 14 12.070 2.037 0.078 0.696 0.923 0.846 CA 1.380 14 residues pruned to eliminate duplicates Z: 17 11.411 1.987 0.195 0.562 0.812 0.750 CA 1.393 17 residues pruned to eliminate duplicates Z: 16 17.781 2.052 0.324 0.636 1.000 0.800 CA 1.487 16 residues pruned to eliminate duplicates Z: 19 12.920 1.863 0.371 0.491 0.889 0.722 CA 1.353 19 residues pruned to eliminate duplicates Z: 13 14.617 2.090 0.294 0.639 0.917 0.833 CB 1.495 13 residues pruned to eliminate duplicates Z: 34 21.524 2.084 0.215 0.496 0.970 0.636 CA 1.532 34 residues pruned to eliminate duplicates Z: 33 23.742 2.088 0.400 0.478 0.969 0.594 CA 1.516 33 residues pruned to eliminate duplicates Z: 19 15.126 1.969 0.332 0.572 0.944 0.722 CB 1.343 19 residues pruned to eliminate duplicates Z: 34 22.029 2.068 0.327 0.498 0.970 0.636 CB 1.444 34 residues pruned to eliminate duplicates Z: 18 15.650 1.966 0.610 0.517 0.941 0.706 CB 1.253 18 residues pruned to eliminate duplicates Z: 17 13.774 1.968 0.507 0.542 0.875 0.625 N 1.273 17 residues pruned to eliminate duplicates Z: 13 14.512 2.135 0.286 0.507 0.917 0.500 CB 1.653 12 residues pruned to eliminate duplicates Z: 6 5.599 1.608 0.861 0.470 1.000 0.600 N 0.863 6 residues pruned to eliminate duplicates Z: 13 14.065 2.143 0.258 0.539 0.917 0.583 CB 1.580 13 residues pruned to eliminate duplicates Z: 6 4.203 1.881 0.114 0.249 1.000 0.600 CB 1.197 6 residues pruned to eliminate duplicates Z: 11 12.825 2.114 0.363 0.540 0.900 0.700 CA 1.503 11 residues pruned to eliminate duplicates Z: 12 18.179 2.173 0.316 0.624 1.000 0.727 CB 1.706 13 residues pruned to eliminate duplicates Z: 10 15.110 2.088 0.651 0.692 1.000 0.889 CA 1.225 14 residues pruned to eliminate duplicates Z: 10 15.041 2.062 0.652 0.639 1.000 0.778 CA 1.291 10 residues pruned to eliminate duplicates Z: 9 14.393 1.974 0.592 0.826 1.000 0.625 CA 1.222 9 residues pruned to eliminate duplicates Z: 18 21.686 2.096 0.709 0.603 0.941 0.824 CA 1.415 18 residues pruned to eliminate duplicates Z: 10 15.446 1.836 0.903 0.840 1.000 0.778 CA 1.100 10 residues pruned to eliminate duplicates Z: 22 18.391 1.911 0.702 0.526 0.952 0.762 CA 1.263 17 residues pruned to eliminate duplicates Z: 10 11.970 1.807 0.666 0.773 1.000 0.667 CA 1.041 10 residues pruned to eliminate duplicates Z: 18 18.804 2.104 0.591 0.603 0.882 0.706 CA 1.400 18 residues pruned to eliminate duplicates 6 1.668 1.612 0.545 0.100 0.400 0.200 CB 1.248 ? Z: 9 5.142 1.747 0.313 0.281 1.000 0.375 CA 1.014 8 residues pruned to eliminate duplicates Z: 7 6.066 1.576 0.679 0.458 0.833 0.333 N 1.172 7 residues pruned to eliminate duplicates 6 1.234 1.421 0.248 0.171 0.600 0.200 CA 0.774 ? 546 residues left after pruning, divided into chains as follows: A: 8 B: 7 C: 8 D: 16 E: 64 F: 20 G: 7 H: 22 I: 10 J: 48 K: 54 L: 65 M: 71 N: 23 O: 22 P: 27 Q: 36 R: 12 S: 18 T: 8 CC for partial structure against native data = 18.93 % ------------------------------------------------------------------------------ Global autotracing cycle 21 = 0.300, Contrast = 0.408, Connect. = 0.679 for dens.mod. cycle 1 = 0.300, Contrast = 0.472, Connect. = 0.701 for dens.mod. cycle 2 = 0.300, Contrast = 0.545, Connect. = 0.736 for dens.mod. cycle 3 = 0.300, Contrast = 0.552, Connect. = 0.741 for dens.mod. cycle 4 = 0.300, Contrast = 0.559, Connect. = 0.746 for dens.mod. cycle 5 = 0.300, Contrast = 0.564, Connect. = 0.750 for dens.mod. cycle 6 = 0.300, Contrast = 0.568, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.570, Connect. = 0.755 for dens.mod. cycle 8 = 0.300, Contrast = 0.572, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.573, Connect. = 0.758 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6924 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1206 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 17.579 2.210 0.118 0.902 0.929 0.714 CA 1.461 B: 21 22.633 2.116 0.573 0.878 0.900 0.700 CA 1.227 15 residues pruned to eliminate duplicates C: 22 26.406 2.139 0.359 0.884 1.000 0.524 CB 1.432 D: 22 34.305 2.186 0.549 0.872 1.000 0.762 CB 1.611 22 residues pruned to eliminate duplicates E: 15 16.612 2.031 0.486 0.750 0.857 0.571 CB 1.373 15 residues pruned to eliminate duplicates F: 21 28.217 2.081 0.425 0.869 0.950 0.650 CA 1.636 21 residues pruned to eliminate duplicates G: 23 20.327 2.130 0.329 0.857 0.818 0.500 CB 1.379 23 residues pruned to eliminate duplicates H: 21 32.998 2.266 0.541 0.832 0.950 0.700 CB 1.669 21 residues pruned to eliminate duplicates I: 21 28.591 2.223 0.351 0.919 0.950 0.600 CB 1.579 22 residues pruned to eliminate duplicates J: 17 18.023 2.098 0.409 0.548 0.938 0.625 CB 1.552 K: 23 15.207 2.113 0.373 0.412 0.909 0.455 CB 1.349 L: 20 9.786 1.963 0.013 0.448 0.842 0.421 CB 1.414 M: 20 31.908 2.243 0.584 0.906 0.947 0.474 CB 1.547 20 residues pruned to eliminate duplicates N: 20 23.724 2.183 0.317 0.879 1.000 0.632 CB 1.372 20 residues pruned to eliminate duplicates O: 20 31.918 2.257 0.686 0.865 0.895 0.632 CB 1.576 20 residues pruned to eliminate duplicates P: 23 32.673 2.144 0.436 0.873 1.000 0.773 CB 1.648 21 residues pruned to eliminate duplicates Q: 8 15.914 2.238 0.795 0.612 0.857 0.714 CB 1.571 10 residues pruned to eliminate duplicates R: 71 43.260 2.181 0.640 0.580 0.886 0.400 CB 1.511 52 residues pruned to eliminate duplicates S: 24 22.848 1.990 0.276 0.844 1.000 0.826 CB 1.396 24 residues pruned to eliminate duplicates T: 11 15.340 2.022 0.556 0.761 0.900 0.600 CB 1.359 U: 18 18.169 1.919 0.595 0.870 0.941 0.647 CA 1.117 V: 15 4.622 1.842 0.206 0.274 0.643 0.429 CB 1.117 W: 21 33.914 2.195 0.590 0.893 1.000 0.750 CB 1.560 21 residues pruned to eliminate duplicates X: 15 18.520 2.164 0.477 0.819 0.857 0.857 CB 1.370 15 residues pruned to eliminate duplicates Y: 40 14.929 1.938 0.293 0.288 0.795 0.231 CB 1.523 9 residues pruned to eliminate duplicates Z: 21 22.791 2.148 0.565 0.849 0.850 0.700 CB 1.322 21 residues pruned to eliminate duplicates Z: 21 32.212 2.209 0.625 0.874 0.900 0.700 CB 1.622 21 residues pruned to eliminate duplicates Z: 12 10.358 1.821 0.435 0.483 0.909 0.455 CA 1.337 Z: 11 15.987 2.063 0.451 0.598 1.000 0.600 CA 1.537 Z: 19 10.923 2.059 0.218 0.359 0.833 0.444 CB 1.435 16 residues pruned to eliminate duplicates Z: 14 7.841 1.891 0.023 0.481 1.000 0.615 CA 1.146 Z: 12 16.354 2.072 0.153 0.832 1.000 0.545 CA 1.550 Z: 20 24.546 2.229 0.353 0.882 0.947 0.526 CB 1.426 20 residues pruned to eliminate duplicates Z: 22 44.324 2.188 0.861 0.901 1.000 0.762 CB 1.696 21 residues pruned to eliminate duplicates Z: 12 14.800 2.189 0.126 0.610 1.000 0.727 CB 1.631 Z: 13 11.513 1.982 0.373 0.622 0.917 0.833 CA 1.187 Z: 17 12.612 2.146 0.036 0.482 0.875 0.562 CA 1.651 17 residues pruned to eliminate duplicates Z: 28 32.480 2.262 0.713 0.684 0.852 0.333 CB 1.600 28 residues pruned to eliminate duplicates Z: 24 30.210 2.109 0.432 0.840 1.000 0.435 CB 1.557 24 residues pruned to eliminate duplicates Z: 9 6.890 1.876 0.466 0.447 0.875 0.500 CA 1.069 Z: 12 9.307 2.110 0.075 0.776 0.818 0.455 CB 1.185 12 residues pruned to eliminate duplicates Z: 17 15.636 1.879 0.564 0.843 0.875 0.750 CA 1.133 22 residues pruned to eliminate duplicates Z: 21 25.192 2.188 0.476 0.850 0.800 0.650 CB 1.615 21 residues pruned to eliminate duplicates Z: 21 29.500 2.187 0.474 0.886 1.000 0.650 CB 1.477 21 residues pruned to eliminate duplicates Z: 20 14.880 2.172 0.560 0.382 0.895 0.632 CB 1.277 20 residues pruned to eliminate duplicates Z: 22 29.425 2.134 0.439 0.891 1.000 0.762 CB 1.503 22 residues pruned to eliminate duplicates Z: 21 33.724 2.198 0.423 0.919 1.000 0.800 CB 1.699 21 residues pruned to eliminate duplicates Z: 21 27.386 2.134 0.415 0.896 0.950 0.800 CB 1.530 21 residues pruned to eliminate duplicates Z: 15 12.674 1.987 0.245 0.472 0.929 0.500 CA 1.516 Z: 22 15.998 1.964 0.472 0.489 0.952 0.524 CB 1.283 12 residues pruned to eliminate duplicates Z: 23 15.637 1.960 0.266 0.481 0.955 0.727 CA 1.436 18 residues pruned to eliminate duplicates Z: 33 18.491 2.010 0.495 0.462 0.875 0.656 CB 1.292 30 residues pruned to eliminate duplicates Z: 8 10.354 1.856 0.278 0.860 0.857 0.714 CA 1.415 10 residues pruned to eliminate duplicates Z: 17 26.670 2.084 0.356 0.878 0.938 0.812 CB 1.827 17 residues pruned to eliminate duplicates Z: 19 11.605 2.036 0.135 0.406 0.833 0.667 CB 1.568 19 residues pruned to eliminate duplicates Z: 12 8.728 2.063 0.473 0.343 0.636 0.364 CA 1.613 Z: 22 18.607 2.236 0.423 0.393 1.000 0.571 CA 1.429 11 residues pruned to eliminate duplicates Z: 20 34.849 2.308 0.568 0.900 1.000 0.737 CB 1.578 20 residues pruned to eliminate duplicates Z: 11 11.313 2.017 0.118 0.830 0.900 0.600 CA 1.325 11 residues pruned to eliminate duplicates Z: 9 14.123 2.148 0.175 0.776 1.000 0.375 CB 1.550 9 residues pruned to eliminate duplicates Z: 12 7.645 1.776 0.273 0.476 0.727 0.455 CB 1.436 9 residues pruned to eliminate duplicates Z: 31 25.610 2.120 0.540 0.508 0.900 0.467 CB 1.578 31 residues pruned to eliminate duplicates Z: 20 23.138 2.170 0.434 0.842 0.947 0.526 CB 1.341 20 residues pruned to eliminate duplicates Z: 7 10.880 2.178 0.175 0.571 1.000 0.333 CB 1.620 7 residues pruned to eliminate duplicates Z: 27 22.119 2.276 0.601 0.306 0.962 0.654 CA 1.536 21 residues pruned to eliminate duplicates Z: 12 11.413 2.002 0.180 0.487 1.000 0.636 CA 1.476 Z: 10 6.980 1.838 0.144 0.471 0.778 0.667 CA 1.466 10 residues pruned to eliminate duplicates Z: 66 40.578 2.166 0.608 0.557 0.877 0.538 CB 1.558 66 residues pruned to eliminate duplicates Z: 21 27.251 2.257 0.655 0.893 0.700 0.450 CB 1.672 21 residues pruned to eliminate duplicates Z: 20 39.123 2.307 0.947 0.924 0.895 0.579 CB 1.569 20 residues pruned to eliminate duplicates Z: 22 28.863 2.068 0.434 0.870 0.952 0.619 CA 1.627 10 residues pruned to eliminate duplicates Z: 28 20.359 2.203 0.397 0.357 0.963 0.444 CA 1.542 28 residues pruned to eliminate duplicates Z: 9 6.724 1.313 0.784 0.649 1.000 0.500 CA 0.883 Z: 25 17.671 2.154 0.512 0.357 0.917 0.542 CA 1.410 25 residues pruned to eliminate duplicates Z: 12 14.427 2.128 0.386 0.589 1.000 0.727 CB 1.355 12 residues pruned to eliminate duplicates Z: 13 25.608 2.245 0.476 0.912 1.000 0.917 CB 1.580 13 residues pruned to eliminate duplicates Z: 21 31.224 2.037 0.648 0.850 1.000 0.600 CB 1.541 22 residues pruned to eliminate duplicates Z: 12 5.943 2.036 0.051 0.327 0.727 0.545 CB 1.393 6 residues pruned to eliminate duplicates Z: 13 9.721 1.957 0.397 0.362 0.917 0.583 CB 1.299 12 residues pruned to eliminate duplicates Z: 8 11.946 1.913 0.689 0.442 1.000 0.429 CB 1.484 Z: 17 12.981 1.881 0.491 0.509 0.875 0.438 CB 1.311 9 residues pruned to eliminate duplicates Z: 15 14.481 2.048 0.459 0.634 1.000 0.714 CB 1.143 16 residues pruned to eliminate duplicates Z: 23 12.263 1.979 0.493 0.334 0.727 0.591 CB 1.459 6 residues pruned to eliminate duplicates Z: 34 32.954 2.047 0.595 0.667 0.939 0.788 CA 1.603 22 residues pruned to eliminate duplicates Z: 18 17.690 2.044 0.423 0.530 1.000 0.647 CB 1.432 17 residues pruned to eliminate duplicates Z: 10 17.699 2.072 0.586 0.617 1.000 0.778 CA 1.608 10 residues pruned to eliminate duplicates Z: 6 5.372 1.694 0.251 0.581 0.800 0.600 CB 1.311 Z: 18 12.652 1.969 0.459 0.351 0.882 0.471 CB 1.423 18 residues pruned to eliminate duplicates Z: 9 3.884 1.581 0.272 0.408 0.875 0.875 CB 0.859 9 residues pruned to eliminate duplicates Z: 27 22.144 2.230 0.484 0.385 0.923 0.538 CB 1.606 28 residues pruned to eliminate duplicates Z: 23 28.581 2.030 0.662 0.855 1.000 0.727 CA 1.332 21 residues pruned to eliminate duplicates Z: 12 11.165 2.002 0.090 0.844 0.909 0.636 CB 1.263 12 residues pruned to eliminate duplicates Z: 20 24.943 1.961 0.769 0.895 0.947 0.368 CA 1.248 18 residues pruned to eliminate duplicates Z: 20 20.320 2.051 0.465 0.852 0.895 0.684 CA 1.282 20 residues pruned to eliminate duplicates Z: 6 2.428 1.803 0.135 0.288 0.600 0.600 N 1.122 Z: 13 18.488 2.249 0.373 0.859 0.833 0.833 CB 1.527 13 residues pruned to eliminate duplicates Z: 11 9.419 1.916 0.153 0.577 1.000 0.800 CA 1.252 11 residues pruned to eliminate duplicates Z: 37 14.257 2.029 0.252 0.318 0.806 0.333 CB 1.420 26 residues pruned to eliminate duplicates Z: 18 18.665 2.099 0.440 0.871 0.824 0.294 CB 1.326 18 residues pruned to eliminate duplicates Z: 15 6.195 1.829 0.269 0.288 0.714 0.286 CB 1.268 Z: 13 15.601 1.611 0.629 0.826 1.000 0.583 CA 1.295 13 residues pruned to eliminate duplicates Z: 6 4.458 1.833 0.135 0.817 0.800 0.600 CB 0.910 6 residues pruned to eliminate duplicates Z: 13 16.707 1.854 0.381 0.861 1.000 0.750 CA 1.384 12 residues pruned to eliminate duplicates Z: 9 8.344 1.842 0.502 0.423 1.000 0.500 CA 1.156 9 residues pruned to eliminate duplicates Z: 6 10.678 1.684 0.590 0.822 1.000 0.800 C 1.349 Z: 10 8.367 1.823 0.326 0.496 0.889 0.444 CB 1.303 Z: 15 27.609 2.226 0.635 0.915 1.000 0.571 CA 1.433 15 residues pruned to eliminate duplicates Z: 21 30.903 2.028 0.612 0.892 1.000 0.750 CA 1.518 21 residues pruned to eliminate duplicates Z: 12 22.400 2.347 0.422 0.891 0.909 0.545 CB 1.600 12 residues pruned to eliminate duplicates Z: 6 4.123 1.810 0.154 0.537 0.800 0.600 CB 1.064 Z: 31 17.612 1.951 0.636 0.366 0.833 0.567 CA 1.395 20 residues pruned to eliminate duplicates Z: 31 27.718 2.048 0.526 0.703 0.900 0.700 CB 1.495 31 residues pruned to eliminate duplicates Z: 11 8.850 1.772 0.288 0.494 0.900 0.700 CB 1.371 9 residues pruned to eliminate duplicates Z: 10 11.813 2.098 0.329 0.784 0.889 0.556 CB 1.237 10 residues pruned to eliminate duplicates Z: 19 11.533 1.993 0.186 0.454 0.778 0.556 CA 1.550 19 residues pruned to eliminate duplicates Z: 21 12.773 1.989 0.350 0.274 0.900 0.300 N 1.527 21 residues pruned to eliminate duplicates Z: 17 9.157 2.010 0.092 0.284 0.875 0.312 N 1.521 17 residues pruned to eliminate duplicates Z: 29 14.210 1.821 0.372 0.508 0.857 0.571 CA 1.244 29 residues pruned to eliminate duplicates Z: 12 16.082 2.208 0.174 0.563 1.000 0.636 CB 1.759 12 residues pruned to eliminate duplicates Z: 12 17.753 2.195 0.295 0.564 1.000 0.727 CB 1.770 12 residues pruned to eliminate duplicates Z: 6 6.425 1.710 0.253 0.815 1.000 0.800 CA 1.020 Z: 9 7.992 1.952 0.255 0.394 0.875 0.625 CA 1.474 9 residues pruned to eliminate duplicates Z: 9 11.290 1.909 0.407 0.817 0.875 0.750 CA 1.289 6 residues pruned to eliminate duplicates Z: 49 34.627 2.188 0.571 0.617 0.833 0.438 CB 1.562 49 residues pruned to eliminate duplicates Z: 6 2.683 1.813 0.011 0.287 1.000 0.400 CB 0.832 Z: 23 13.554 1.876 0.395 0.322 0.909 0.364 N 1.478 23 residues pruned to eliminate duplicates Z: 22 16.848 2.263 0.399 0.356 0.952 0.476 CB 1.425 22 residues pruned to eliminate duplicates Z: 22 29.119 2.093 0.691 0.877 0.952 0.619 CB 1.369 22 residues pruned to eliminate duplicates Z: 13 14.041 2.114 0.106 0.833 1.000 0.500 CB 1.300 13 residues pruned to eliminate duplicates Z: 11 17.880 2.155 0.412 0.835 1.000 0.700 CB 1.393 11 residues pruned to eliminate duplicates Z: 58 23.302 2.100 0.464 0.333 0.789 0.439 CB 1.527 60 residues pruned to eliminate duplicates Z: 12 11.822 1.730 0.460 0.812 0.909 0.636 CA 1.183 12 residues pruned to eliminate duplicates Z: 10 16.692 1.772 1.121 0.737 1.000 0.667 CA 1.196 10 residues pruned to eliminate duplicates Z: 12 7.115 1.753 0.910 0.306 0.636 0.273 CA 1.250 12 residues pruned to eliminate duplicates Z: 6 8.368 1.902 0.584 0.500 1.000 0.800 CA 1.243 Z: 18 17.610 2.086 0.380 0.860 0.882 0.765 CA 1.237 18 residues pruned to eliminate duplicates Z: 9 4.401 1.892 0.288 0.293 0.625 0.250 CA 1.288 9 residues pruned to eliminate duplicates Z: 11 12.982 2.187 0.226 0.778 0.800 0.600 CA 1.498 11 residues pruned to eliminate duplicates Z: 22 33.585 2.161 0.753 0.890 0.905 0.286 CB 1.538 22 residues pruned to eliminate duplicates Z: 12 20.154 2.240 0.254 0.877 1.000 0.818 CA 1.571 12 residues pruned to eliminate duplicates Z: 11 8.553 1.878 -0.012 0.840 0.900 0.900 CB 1.209 11 residues pruned to eliminate duplicates Z: 7 3.692 1.564 0.301 0.396 0.833 0.667 CB 0.991 Z: 15 8.903 1.800 0.394 0.385 0.857 0.571 CB 1.251 15 residues pruned to eliminate duplicates Z: 27 23.035 2.046 0.594 0.719 0.962 0.731 CA 1.182 27 residues pruned to eliminate duplicates Z: 17 9.304 1.845 0.269 0.458 0.812 0.500 CB 1.276 16 residues pruned to eliminate duplicates Z: 10 14.842 1.875 0.485 0.906 0.889 0.778 CA 1.422 10 residues pruned to eliminate duplicates Z: 15 10.436 1.918 0.461 0.808 0.786 0.429 CA 0.969 15 residues pruned to eliminate duplicates Z: 18 19.570 1.982 0.749 0.871 0.882 0.706 CA 1.131 18 residues pruned to eliminate duplicates Z: 7 4.456 1.872 0.577 0.467 0.667 0.667 CB 0.956 Z: 31 20.395 2.067 0.472 0.372 0.967 0.567 CA 1.452 28 residues pruned to eliminate duplicates Z: 22 15.080 2.086 0.437 0.382 0.905 0.571 CA 1.375 22 residues pruned to eliminate duplicates Z: 6 3.996 1.814 0.007 0.467 1.000 0.400 CA 1.012 Z: 8 9.255 1.862 0.617 0.442 0.857 0.429 CA 1.439 8 residues pruned to eliminate duplicates Z: 10 7.501 1.832 0.387 0.526 1.000 0.667 CB 0.959 9 residues pruned to eliminate duplicates Z: 31 20.203 1.955 0.474 0.721 0.933 0.633 CA 1.123 31 residues pruned to eliminate duplicates Z: 10 9.618 2.157 -0.046 0.502 0.889 0.667 CA 1.749 11 residues pruned to eliminate duplicates Z: 9 7.954 1.853 0.177 0.579 0.875 0.500 CA 1.366 9 residues pruned to eliminate duplicates Z: 13 21.216 2.266 0.369 0.891 0.917 0.583 CB 1.549 13 residues pruned to eliminate duplicates Z: 19 30.628 2.217 0.765 0.907 0.944 0.500 CB 1.388 19 residues pruned to eliminate duplicates Z: 7 8.922 1.895 0.815 0.540 0.833 0.500 CB 1.222 7 residues pruned to eliminate duplicates Z: 7 2.244 1.607 0.004 0.591 0.667 0.333 CB 0.781 Z: 17 11.042 1.839 0.471 0.444 0.875 0.500 CB 1.236 10 residues pruned to eliminate duplicates Z: 11 9.294 1.830 1.200 0.260 0.800 0.400 CB 1.201 10 residues pruned to eliminate duplicates Z: 11 10.489 1.895 0.200 0.519 1.000 0.600 CB 1.431 12 residues pruned to eliminate duplicates Z: 11 19.282 2.065 0.548 0.884 0.900 0.700 CB 1.531 11 residues pruned to eliminate duplicates Z: 17 6.323 1.640 0.356 0.304 0.812 0.438 CB 1.088 Z: 15 7.025 1.799 0.361 0.303 0.714 0.429 CB 1.337 16 residues pruned to eliminate duplicates Z: 12 14.280 1.804 0.871 0.855 0.727 0.364 CA 1.295 12 residues pruned to eliminate duplicates Z: 14 9.564 1.890 0.419 0.820 0.692 0.462 CA 1.083 14 residues pruned to eliminate duplicates Z: 8 3.608 1.527 0.437 0.549 0.857 0.571 CA 0.692 Z: 6 5.217 1.458 0.478 0.881 1.000 1.000 CA 0.784 5 residues pruned to eliminate duplicates Z: 28 11.830 1.854 0.399 0.261 0.852 0.333 CB 1.354 28 residues pruned to eliminate duplicates Z: 22 12.626 2.070 0.394 0.351 0.857 0.429 CA 1.309 22 residues pruned to eliminate duplicates Z: 13 15.480 1.934 0.294 0.725 0.917 0.333 CB 1.589 13 residues pruned to eliminate duplicates Z: 8 8.947 1.869 0.676 0.455 0.857 0.571 CA 1.319 8 residues pruned to eliminate duplicates Z: 24 8.863 1.891 0.136 0.268 0.870 0.478 CB 1.289 24 residues pruned to eliminate duplicates Z: 12 15.181 2.128 0.181 0.821 1.000 0.545 CB 1.378 13 residues pruned to eliminate duplicates Z: 13 6.824 1.863 0.208 0.306 0.750 0.417 CA 1.447 10 residues pruned to eliminate duplicates Z: 29 18.932 2.154 0.519 0.303 0.929 0.536 CA 1.466 31 residues pruned to eliminate duplicates Z: 7 3.146 1.826 -0.178 0.328 0.833 0.500 CB 1.239 Z: 9 9.108 1.821 0.234 0.883 1.000 0.375 CA 1.036 9 residues pruned to eliminate duplicates Z: 6 4.616 1.534 0.369 0.716 1.000 0.800 CA 0.808 6 residues pruned to eliminate duplicates Z: 28 10.251 1.991 0.133 0.296 0.778 0.296 CB 1.412 28 residues pruned to eliminate duplicates Z: 11 6.231 1.928 0.245 0.282 0.800 0.200 CB 1.312 11 residues pruned to eliminate duplicates Z: 22 31.965 2.028 0.697 0.867 1.000 0.619 CA 1.482 22 residues pruned to eliminate duplicates Z: 19 16.691 1.876 0.415 0.862 0.944 0.778 CA 1.152 19 residues pruned to eliminate duplicates Z: 10 4.106 1.626 0.805 0.432 0.556 0.444 N 0.900 Z: 6 8.287 1.519 0.761 0.688 1.000 0.800 CB 1.167 8 residues pruned to eliminate duplicates Z: 27 21.967 2.248 0.484 0.384 0.923 0.577 CA 1.582 27 residues pruned to eliminate duplicates Z: 12 11.299 2.066 0.149 0.656 1.000 0.727 CB 1.242 12 residues pruned to eliminate duplicates Z: 21 21.330 1.910 0.716 0.887 0.950 0.350 CA 1.105 21 residues pruned to eliminate duplicates Z: 10 12.503 1.831 0.965 0.486 0.889 0.444 CB 1.322 10 residues pruned to eliminate duplicates Z: 16 6.899 1.905 0.255 0.292 0.667 0.267 CA 1.411 16 residues pruned to eliminate duplicates Z: 18 29.107 2.291 0.711 0.908 0.765 0.235 CB 1.672 18 residues pruned to eliminate duplicates Z: 9 7.700 1.757 0.595 0.540 0.750 0.625 CB 1.246 Z: 20 20.041 2.040 0.482 0.881 0.895 0.632 CA 1.231 20 residues pruned to eliminate duplicates Z: 10 3.930 1.533 0.089 0.489 0.889 0.333 CB 0.892 Z: 11 12.110 2.077 0.601 0.512 0.900 0.500 CA 1.265 11 residues pruned to eliminate duplicates Z: 9 4.190 1.794 0.170 0.415 0.875 0.375 CB 0.881 Z: 21 23.166 1.935 0.836 0.906 0.900 0.700 CA 1.153 21 residues pruned to eliminate duplicates Z: 13 6.290 1.812 0.480 0.282 0.750 0.333 CB 1.154 13 residues pruned to eliminate duplicates Z: 10 14.507 2.206 0.151 0.803 0.889 0.667 CB 1.644 10 residues pruned to eliminate duplicates Z: 31 12.646 1.920 0.316 0.309 0.833 0.400 CB 1.356 31 residues pruned to eliminate duplicates Z: 25 18.392 2.193 0.508 0.386 0.958 0.542 CA 1.338 25 residues pruned to eliminate duplicates Z: 21 14.968 2.055 0.557 0.391 0.850 0.650 CB 1.381 21 residues pruned to eliminate duplicates Z: 19 11.843 2.050 0.256 0.357 0.889 0.500 CB 1.423 19 residues pruned to eliminate duplicates Z: 7 6.665 1.461 0.546 0.695 1.000 0.667 CB 1.008 6 residues pruned to eliminate duplicates Z: 12 19.491 2.342 0.211 0.882 0.909 0.545 CB 1.649 12 residues pruned to eliminate duplicates Z: 19 18.340 1.977 0.396 0.825 0.944 0.722 CA 1.252 19 residues pruned to eliminate duplicates Z: 39 29.924 2.215 0.353 0.592 0.921 0.632 CB 1.610 39 residues pruned to eliminate duplicates Z: 9 14.619 1.857 0.300 0.854 1.000 0.625 C 1.581 9 residues pruned to eliminate duplicates Z: 34 13.857 1.944 0.352 0.356 0.788 0.515 CB 1.361 34 residues pruned to eliminate duplicates Z: 8 8.180 1.995 0.160 0.704 0.857 0.571 CA 1.295 8 residues pruned to eliminate duplicates Z: 7 3.496 1.630 -0.260 0.651 1.000 0.667 N 1.027 Z: 16 7.968 1.978 0.137 0.347 0.733 0.600 CA 1.473 16 residues pruned to eliminate duplicates Z: 13 4.556 1.753 0.065 0.386 0.667 0.583 CB 1.192 13 residues pruned to eliminate duplicates Z: 13 14.162 2.064 0.346 0.646 0.917 0.833 CB 1.401 12 residues pruned to eliminate duplicates Z: 19 27.099 2.170 0.608 0.874 0.889 0.611 CB 1.499 19 residues pruned to eliminate duplicates Z: 9 4.371 1.746 0.326 0.269 0.875 0.375 CB 0.992 7 residues pruned to eliminate duplicates Z: 20 29.568 1.991 0.982 0.821 0.947 0.263 CB 1.374 20 residues pruned to eliminate duplicates Z: 6 5.226 1.841 0.167 0.396 1.000 0.800 CA 1.213 6 residues pruned to eliminate duplicates Z: 19 17.894 2.057 0.310 0.559 0.944 0.556 CB 1.564 22 residues pruned to eliminate duplicates Z: 6 5.770 1.833 0.133 0.442 1.000 0.800 N 1.320 6 residues pruned to eliminate duplicates Z: 21 30.865 2.188 0.342 0.880 0.950 0.650 CB 1.793 21 residues pruned to eliminate duplicates Z: 9 8.785 1.778 0.380 0.820 1.000 0.750 CA 0.959 9 residues pruned to eliminate duplicates Z: 19 38.601 2.238 0.700 0.914 0.944 0.556 CB 1.790 19 residues pruned to eliminate duplicates Z: 17 10.967 2.102 0.150 0.447 0.812 0.625 CA 1.475 17 residues pruned to eliminate duplicates Z: 15 4.893 1.682 0.328 0.263 0.714 0.357 CB 1.075 15 residues pruned to eliminate duplicates Z: 6 4.495 1.416 0.294 0.647 1.000 0.800 CA 0.957 Z: 12 14.094 2.084 -0.016 0.867 1.000 0.818 CB 1.515 12 residues pruned to eliminate duplicates Z: 28 20.932 2.214 0.554 0.336 0.963 0.444 CA 1.454 28 residues pruned to eliminate duplicates Z: 12 13.843 2.189 -0.035 0.850 1.000 0.455 CB 1.464 12 residues pruned to eliminate duplicates Z: 13 22.781 2.234 0.507 0.860 0.917 0.667 CA 1.566 13 residues pruned to eliminate duplicates Z: 8 5.119 1.759 -0.189 0.627 0.857 0.571 CB 1.404 Z: 22 15.834 1.952 0.251 0.449 1.000 0.667 CB 1.492 22 residues pruned to eliminate duplicates Z: 13 13.410 1.805 0.566 0.562 1.000 0.667 CA 1.290 20 residues pruned to eliminate duplicates Z: 16 10.869 1.961 0.156 0.454 0.867 0.533 CB 1.498 20 residues pruned to eliminate duplicates Z: 6 5.855 2.010 0.008 0.533 1.000 0.600 CA 1.251 6 residues pruned to eliminate duplicates Z: 13 8.004 1.950 0.159 0.332 1.000 0.500 CB 1.228 13 residues pruned to eliminate duplicates Z: 20 10.080 2.019 0.349 0.422 0.789 0.421 CB 1.166 20 residues pruned to eliminate duplicates Z: 14 11.487 1.983 0.317 0.627 0.923 0.692 CB 1.172 14 residues pruned to eliminate duplicates Z: 9 9.454 1.873 0.277 0.557 0.875 0.750 CA 1.510 7 residues pruned to eliminate duplicates Z: 7 8.948 1.805 0.212 0.732 1.000 0.667 CB 1.356 6 residues pruned to eliminate duplicates Z: 27 22.764 2.288 0.585 0.327 0.962 0.577 CA 1.547 27 residues pruned to eliminate duplicates Z: 10 9.658 2.116 0.063 0.677 0.889 0.667 CA 1.367 10 residues pruned to eliminate duplicates Z: 34 13.446 1.963 0.379 0.248 0.818 0.394 CB 1.414 34 residues pruned to eliminate duplicates Z: 13 7.289 1.945 0.306 0.399 0.667 0.583 CA 1.382 13 residues pruned to eliminate duplicates Z: 20 12.915 2.071 0.172 0.463 0.842 0.421 CB 1.505 19 residues pruned to eliminate duplicates Z: 45 17.784 2.022 0.373 0.284 0.818 0.341 CB 1.505 45 residues pruned to eliminate duplicates Z: 12 12.208 1.955 0.485 0.513 1.000 0.636 CA 1.252 12 residues pruned to eliminate duplicates Z: 12 8.855 1.896 0.714 0.485 0.818 0.727 CA 1.020 12 residues pruned to eliminate duplicates Z: 11 8.987 1.743 0.684 0.514 0.900 0.400 CB 1.061 Z: 71 37.443 2.116 0.577 0.544 0.900 0.386 CB 1.427 71 residues pruned to eliminate duplicates Z: 21 28.131 1.943 0.545 0.913 1.000 0.800 CB 1.483 21 residues pruned to eliminate duplicates Z: 16 6.822 1.740 0.171 0.378 0.867 0.333 CB 1.136 16 residues pruned to eliminate duplicates Z: 10 9.899 1.986 0.193 0.687 1.000 0.667 CA 1.173 10 residues pruned to eliminate duplicates Z: 31 26.025 2.027 0.575 0.636 0.900 0.700 CB 1.456 31 residues pruned to eliminate duplicates Z: 21 9.352 1.679 0.535 0.535 0.750 0.350 CA 1.045 21 residues pruned to eliminate duplicates Z: 6 3.302 1.356 0.220 0.458 1.000 0.600 CB 0.932 Z: 9 5.830 1.632 0.528 0.421 0.750 0.500 N 1.197 9 residues pruned to eliminate duplicates Z: 11 5.235 1.597 0.441 0.494 0.800 0.600 CB 0.904 Z: 6 3.659 1.739 -0.080 0.391 1.000 0.800 CB 1.148 6 residues pruned to eliminate duplicates Z: 11 10.948 2.048 0.371 0.516 0.800 0.600 CA 1.517 11 residues pruned to eliminate duplicates Z: 22 6.057 1.698 0.121 0.326 0.714 0.429 CB 1.177 22 residues pruned to eliminate duplicates Z: 17 9.481 2.051 0.052 0.408 0.812 0.500 CB 1.489 19 residues pruned to eliminate duplicates Z: 6 2.380 1.586 0.050 0.505 1.000 0.800 CA 0.635 6 residues pruned to eliminate duplicates Z: 10 4.204 1.613 0.191 0.593 0.778 0.667 CB 0.858 10 residues pruned to eliminate duplicates 7 1.930 1.314 0.175 0.399 0.833 0.333 CA 0.682 ? Z: 15 16.272 1.947 0.443 0.553 1.000 0.643 N 1.470 15 residues pruned to eliminate duplicates Z: 8 4.809 1.351 0.596 0.404 0.857 0.286 N 1.088 Z: 39 14.255 1.980 0.345 0.290 0.789 0.237 CB 1.392 39 residues pruned to eliminate duplicates Z: 14 14.571 2.134 0.044 0.738 1.000 0.462 CA 1.466 14 residues pruned to eliminate duplicates Z: 9 7.944 1.753 0.420 0.680 0.875 0.625 CA 1.093 9 residues pruned to eliminate duplicates Z: 8 2.460 1.827 0.341 0.340 0.714 0.571 CB 0.633 8 residues pruned to eliminate duplicates Z: 6 3.635 1.557 0.839 0.527 0.600 0.600 N 0.921 6 residues pruned to eliminate duplicates Z: 8 6.254 1.920 0.155 0.396 0.857 0.714 CB 1.388 5 residues pruned to eliminate duplicates Z: 11 17.415 2.191 0.138 0.851 1.000 0.700 CA 1.635 11 residues pruned to eliminate duplicates Z: 10 18.782 2.214 0.421 0.826 1.000 0.333 CB 1.501 10 residues pruned to eliminate duplicates Z: 10 3.858 1.673 0.090 0.300 0.889 0.444 CB 0.991 9 residues pruned to eliminate duplicates Z: 49 34.375 2.140 0.624 0.592 0.875 0.354 CB 1.494 49 residues pruned to eliminate duplicates Z: 28 15.751 1.998 0.482 0.299 0.815 0.333 CB 1.573 28 residues pruned to eliminate duplicates Z: 15 13.264 2.140 0.223 0.507 0.929 0.714 CA 1.448 15 residues pruned to eliminate duplicates Z: 18 13.593 2.038 0.213 0.908 0.941 0.824 CA 1.006 18 residues pruned to eliminate duplicates Z: 16 13.210 2.007 0.294 0.545 0.800 0.600 CA 1.570 16 residues pruned to eliminate duplicates Z: 42 19.295 1.998 0.477 0.297 0.829 0.439 CA 1.544 41 residues pruned to eliminate duplicates Z: 8 6.544 1.768 0.282 0.489 0.857 0.571 CA 1.286 8 residues pruned to eliminate duplicates Z: 12 14.369 2.038 0.274 0.588 0.909 0.636 CA 1.687 12 residues pruned to eliminate duplicates Z: 15 8.673 1.880 0.350 0.379 0.714 0.357 CB 1.453 15 residues pruned to eliminate duplicates Z: 12 14.220 2.105 0.418 0.600 0.909 0.909 CA 1.436 12 residues pruned to eliminate duplicates Z: 8 2.815 1.608 0.367 0.282 0.571 0.286 CB 1.083 Z: 8 2.749 1.717 -0.021 0.236 0.714 0.429 CB 1.175 Z: 8 6.267 1.780 0.181 0.501 1.000 0.429 CB 1.126 8 residues pruned to eliminate duplicates Z: 6 3.283 1.548 0.187 0.436 0.800 0.600 CB 1.067 Z: 7 2.796 1.554 0.236 0.248 0.833 0.667 CA 0.954 Z: 13 17.409 2.000 0.467 0.815 1.000 0.667 CB 1.302 12 residues pruned to eliminate duplicates Z: 18 14.125 1.980 0.449 0.477 0.882 0.647 CB 1.385 18 residues pruned to eliminate duplicates Z: 15 9.364 1.939 0.134 0.533 0.929 0.786 CB 1.186 15 residues pruned to eliminate duplicates Z: 6 3.585 1.665 -0.093 0.486 0.800 0.400 C 1.345 7 residues pruned to eliminate duplicates Z: 35 38.102 2.252 0.662 0.701 0.882 0.412 CB 1.647 35 residues pruned to eliminate duplicates Z: 33 23.294 2.026 0.376 0.527 0.938 0.781 CA 1.533 37 residues pruned to eliminate duplicates Z: 10 4.189 1.834 -0.028 0.320 0.778 0.556 CA 1.228 9 residues pruned to eliminate duplicates Z: 8 4.329 1.835 0.445 0.299 0.714 0.286 CB 1.081 4 residues pruned to eliminate duplicates Z: 7 2.946 1.582 0.268 0.393 0.833 0.500 CB 0.806 6 1.801 1.205 0.739 0.278 0.800 0.600 CA 0.618 ? Z: 9 7.982 1.810 -0.108 0.807 1.000 0.500 C 1.338 Z: 16 9.222 1.968 0.116 0.339 0.867 0.400 CB 1.491 16 residues pruned to eliminate duplicates Z: 11 6.447 1.938 0.137 0.342 0.900 0.500 CB 1.222 11 residues pruned to eliminate duplicates Z: 10 3.456 1.505 0.471 0.264 0.667 0.556 CA 1.022 Z: 70 44.326 2.205 0.460 0.626 0.971 0.609 CB 1.516 70 residues pruned to eliminate duplicates Z: 17 20.700 2.010 0.588 0.885 1.000 0.625 CA 1.170 17 residues pruned to eliminate duplicates Z: 16 22.212 2.080 0.525 0.885 1.000 0.800 CB 1.306 16 residues pruned to eliminate duplicates Z: 14 13.417 1.998 0.261 0.573 0.923 0.692 CB 1.491 14 residues pruned to eliminate duplicates Z: 6 3.255 1.656 0.234 0.561 0.800 0.600 CA 0.839 Z: 30 20.665 2.029 0.713 0.355 0.862 0.552 CA 1.497 30 residues pruned to eliminate duplicates Z: 10 9.118 2.082 0.487 0.442 0.778 0.556 CB 1.340 10 residues pruned to eliminate duplicates Z: 9 3.430 1.360 -0.025 0.409 1.000 0.375 CB 1.007 Z: 14 8.804 1.848 0.286 0.338 0.846 0.462 CA 1.449 14 residues pruned to eliminate duplicates Z: 8 5.569 1.655 0.491 0.410 0.714 0.429 N 1.312 Z: 15 10.708 1.995 0.423 0.387 0.857 0.643 CB 1.326 15 residues pruned to eliminate duplicates Z: 7 5.018 1.351 0.508 0.579 0.833 0.333 CB 1.118 Z: 12 4.683 1.685 0.321 0.232 0.818 0.364 CA 1.059 9 residues pruned to eliminate duplicates Z: 6 2.933 1.782 0.392 0.289 0.600 0.200 N 1.116 Z: 9 5.879 1.536 0.453 0.533 0.875 0.375 CA 1.030 Z: 29 19.644 2.052 0.457 0.429 0.929 0.571 CA 1.440 29 residues pruned to eliminate duplicates Z: 31 12.310 1.978 0.282 0.309 0.800 0.333 CB 1.370 31 residues pruned to eliminate duplicates Z: 36 18.139 2.064 0.319 0.398 0.886 0.429 CB 1.416 36 residues pruned to eliminate duplicates Z: 7 2.624 1.430 -0.236 0.541 1.000 0.500 CB 0.943 Z: 19 25.825 2.119 0.636 0.840 0.889 0.667 CA 1.475 19 residues pruned to eliminate duplicates Z: 6 2.885 1.638 0.320 0.299 0.600 0.400 CB 1.244 Z: 6 2.654 1.643 0.250 0.300 0.600 0.400 CB 1.204 Z: 26 18.834 2.192 0.551 0.314 0.920 0.480 CB 1.480 26 residues pruned to eliminate duplicates Z: 10 8.082 1.757 0.185 0.832 0.889 0.556 CA 1.093 10 residues pruned to eliminate duplicates Z: 43 27.123 1.943 0.476 0.594 0.929 0.643 CB 1.436 43 residues pruned to eliminate duplicates Z: 25 12.463 1.931 0.231 0.372 0.833 0.500 CB 1.472 25 residues pruned to eliminate duplicates Z: 11 17.209 2.000 0.579 0.843 1.000 0.900 CA 1.283 11 residues pruned to eliminate duplicates Z: 6 2.783 1.420 0.254 0.478 0.800 0.600 CB 0.894 8 1.477 1.562 0.112 0.222 0.714 0.571 CB 0.623 ? Z: 8 5.037 1.646 0.283 0.461 0.714 0.286 CA 1.314 6 1.894 1.328 -0.036 0.535 0.600 0.200 CB 1.066 ? Z: 7 4.347 1.333 0.865 0.516 1.000 0.667 CB 0.703 Z: 8 11.898 1.930 0.528 0.677 1.000 0.714 CB 1.296 7 residues pruned to eliminate duplicates Z: 7 2.597 1.527 0.149 0.252 0.833 0.500 N 0.964 Z: 6 9.817 1.757 0.540 0.867 1.000 1.000 CB 1.186 6 residues pruned to eliminate duplicates Z: 28 18.203 2.060 0.685 0.381 0.815 0.593 CB 1.405 28 residues pruned to eliminate duplicates Z: 13 8.852 1.859 0.417 0.235 0.917 0.333 CB 1.440 13 residues pruned to eliminate duplicates Z: 10 4.427 1.510 0.215 0.516 0.778 0.556 O 1.018 Z: 8 2.845 1.471 0.106 0.359 0.857 0.286 CB 0.898 Z: 6 4.747 1.702 0.280 0.619 1.000 1.000 CB 0.871 6 residues pruned to eliminate duplicates Z: 14 5.886 1.830 0.232 0.221 0.846 0.308 CA 1.187 14 residues pruned to eliminate duplicates Z: 8 4.415 1.560 0.379 0.287 0.857 0.286 CA 1.150 Z: 19 23.311 1.975 0.760 0.924 1.000 0.556 CA 1.110 19 residues pruned to eliminate duplicates Z: 7 4.069 1.839 0.566 0.477 0.500 0.500 CB 1.181 Z: 8 3.232 1.517 0.215 0.315 0.857 0.571 CB 0.948 Z: 9 9.132 1.619 0.419 0.626 1.000 0.875 CA 1.248 9 residues pruned to eliminate duplicates 7 1.823 1.625 0.074 0.599 1.000 0.500 CB 0.388 ? Z: 31 18.195 2.075 0.278 0.466 0.900 0.600 CA 1.441 31 residues pruned to eliminate duplicates 6 1.192 1.098 0.247 0.297 0.800 0.600 C 0.610 ? Z: 6 2.570 1.544 0.682 0.419 0.800 0.400 CB 0.601 Z: 34 20.955 2.055 0.416 0.455 0.939 0.545 CB 1.398 34 residues pruned to eliminate duplicates Z: 25 12.532 1.826 0.435 0.475 0.833 0.542 CA 1.200 39 residues pruned to eliminate duplicates Z: 7 4.472 1.609 0.061 0.550 1.000 0.333 CB 1.018 6 residues pruned to eliminate duplicates Z: 6 9.207 1.940 0.485 0.646 1.000 1.000 CA 1.247 6 residues pruned to eliminate duplicates Z: 20 27.077 2.179 0.577 0.840 0.947 0.684 CB 1.424 20 residues pruned to eliminate duplicates Z: 8 5.361 1.550 0.252 0.628 0.857 0.571 CB 1.079 7 residues pruned to eliminate duplicates Z: 9 3.255 1.284 0.502 0.399 0.750 0.500 CB 0.885 Z: 29 21.265 2.134 0.517 0.317 0.964 0.500 CA 1.576 29 residues pruned to eliminate duplicates 7 1.873 1.330 0.384 0.287 0.667 0.333 CB 0.792 ? Z: 6 3.844 1.391 0.510 0.445 0.800 0.600 N 1.082 6 residues pruned to eliminate duplicates Z: 9 3.594 1.622 -0.124 0.616 0.750 0.375 CB 1.068 Z: 8 6.094 1.742 0.182 0.557 0.857 0.571 CB 1.234 8 residues pruned to eliminate duplicates Z: 7 6.422 1.838 -0.120 0.799 1.000 0.833 CA 1.248 7 residues pruned to eliminate duplicates Z: 21 17.194 1.921 0.523 0.880 0.850 0.550 CA 1.121 21 residues pruned to eliminate duplicates Z: 7 2.032 1.527 0.086 0.250 0.833 0.500 CA 0.801 7 residues pruned to eliminate duplicates Z: 19 15.073 1.810 0.870 0.432 0.889 0.556 CB 1.267 19 residues pruned to eliminate duplicates Z: 28 20.850 2.208 0.481 0.365 1.000 0.593 CA 1.419 28 residues pruned to eliminate duplicates Z: 14 7.852 1.785 0.426 0.438 0.846 0.538 CB 1.078 7 residues pruned to eliminate duplicates Z: 7 8.407 1.785 0.390 0.660 0.833 0.667 C 1.431 7 residues pruned to eliminate duplicates Z: 8 7.037 1.744 -0.051 0.834 1.000 0.714 CA 1.204 8 residues pruned to eliminate duplicates Z: 10 4.767 1.825 0.080 0.482 0.778 0.444 N 1.055 10 residues pruned to eliminate duplicates Z: 6 7.168 1.766 0.036 0.693 1.000 0.800 CA 1.469 6 residues pruned to eliminate duplicates Z: 9 7.447 1.676 0.220 0.525 0.875 0.375 CB 1.436 Z: 14 13.483 2.052 0.322 0.484 1.000 0.692 CA 1.401 14 residues pruned to eliminate duplicates Z: 25 13.714 1.952 0.144 0.550 0.958 0.708 CB 1.245 25 residues pruned to eliminate duplicates Z: 7 2.197 1.482 0.570 0.248 0.500 0.500 CA 1.031 Z: 6 3.717 1.527 0.968 0.389 0.800 0.800 CB 0.777 Z: 17 8.910 1.852 0.104 0.623 0.938 0.750 CA 1.035 17 residues pruned to eliminate duplicates Z: 28 22.229 2.198 0.496 0.406 1.000 0.704 CA 1.435 29 residues pruned to eliminate duplicates Z: 7 3.200 1.405 0.435 0.396 0.667 0.667 CA 1.085 Z: 7 3.771 1.585 0.270 0.636 0.667 0.667 CA 1.009 Z: 17 13.987 2.016 0.488 0.427 0.812 0.438 CA 1.548 17 residues pruned to eliminate duplicates Z: 28 19.438 2.185 0.361 0.351 1.000 0.481 CA 1.479 28 residues pruned to eliminate duplicates Z: 6 5.418 1.522 0.721 0.475 1.000 0.800 CB 0.948 6 residues pruned to eliminate duplicates Z: 11 3.281 1.549 0.422 0.426 0.600 0.400 CB 0.848 11 residues pruned to eliminate duplicates Z: 13 7.383 1.649 0.331 0.483 0.833 0.583 CB 1.185 13 residues pruned to eliminate duplicates 6 1.138 1.033 0.213 0.441 1.000 0.600 C 0.431 ? Z: 35 12.528 1.973 0.360 0.266 0.735 0.412 CB 1.422 35 residues pruned to eliminate duplicates Z: 16 18.533 2.040 0.406 0.707 0.933 0.733 CA 1.481 13 residues pruned to eliminate duplicates Z: 17 36.312 2.104 0.804 0.897 1.000 0.438 CB 1.712 17 residues pruned to eliminate duplicates Z: 6 2.342 1.190 0.276 0.285 1.000 0.800 CA 0.878 Z: 12 7.070 2.087 0.201 0.311 0.909 0.636 CA 1.154 12 residues pruned to eliminate duplicates Z: 19 15.782 2.090 0.579 0.458 0.833 0.333 CA 1.411 12 residues pruned to eliminate duplicates Z: 7 5.053 1.574 0.287 0.488 0.833 0.333 N 1.237 Z: 12 14.277 2.030 0.382 0.581 0.909 0.818 CB 1.562 12 residues pruned to eliminate duplicates Z: 7 4.245 1.616 0.443 0.596 0.833 0.333 C 0.814 Z: 6 4.024 1.224 0.412 0.646 1.000 0.600 O 0.908 Z: 6 4.996 1.474 0.873 0.836 1.000 1.000 CB 0.606 6 residues pruned to eliminate duplicates Z: 19 17.740 1.874 0.283 0.910 1.000 0.833 CA 1.233 19 residues pruned to eliminate duplicates Z: 8 2.228 1.339 0.078 0.348 0.571 0.286 CB 1.203 Z: 9 3.724 1.446 0.631 0.275 0.750 0.375 CB 0.961 9 residues pruned to eliminate duplicates Z: 17 8.949 1.819 0.334 0.400 0.875 0.375 CA 1.171 17 residues pruned to eliminate duplicates Z: 9 13.170 1.965 0.313 0.615 1.000 0.875 N 1.618 9 residues pruned to eliminate duplicates 6 1.868 1.041 0.605 0.621 0.800 0.600 CA 0.557 ? Z: 7 2.361 1.376 0.561 0.339 0.667 0.500 C 0.802 6 1.016 1.344 -0.262 0.292 0.800 0.600 CA 0.723 ? Z: 8 5.672 1.350 0.349 0.760 0.857 0.714 N 1.090 5 residues pruned to eliminate duplicates Z: 12 10.360 1.856 0.300 0.540 0.909 0.818 CA 1.369 12 residues pruned to eliminate duplicates Z: 10 6.825 2.000 0.436 0.427 0.667 0.444 CB 1.282 10 residues pruned to eliminate duplicates Z: 7 2.588 1.629 0.126 0.326 0.500 0.500 CB 1.393 7 residues pruned to eliminate duplicates Z: 6 2.277 1.260 0.795 0.270 0.800 0.600 CB 0.730 Z: 16 6.589 1.591 0.274 0.393 1.000 0.600 CA 0.940 16 residues pruned to eliminate duplicates 6 0.717 1.498 0.372 0.665 0.800 0.400 CB 0.167 ? Z: 15 2.713 1.503 0.371 0.339 0.786 0.357 CB 0.534 6 1.965 1.179 0.363 0.749 0.800 0.600 N 0.547 ? Z: 10 10.464 1.670 0.259 0.655 1.000 0.556 C 1.437 10 residues pruned to eliminate duplicates Z: 7 11.055 2.189 0.281 0.818 0.833 0.500 CA 1.466 7 residues pruned to eliminate duplicates 6 1.764 1.209 0.295 0.409 1.000 0.600 CB 0.554 ? Z: 13 7.574 1.876 0.325 0.304 0.750 0.500 CA 1.458 13 residues pruned to eliminate duplicates Z: 10 15.918 1.895 0.620 0.836 1.000 0.444 CA 1.294 11 residues pruned to eliminate duplicates Z: 17 15.272 2.153 0.198 0.450 0.938 0.625 CB 1.662 20 residues pruned to eliminate duplicates Z: 7 4.285 1.778 0.273 0.215 0.833 0.500 CA 1.296 Z: 9 3.590 1.533 0.292 0.207 0.875 0.500 CB 1.036 9 residues pruned to eliminate duplicates Z: 8 2.195 1.401 0.569 0.227 0.857 0.286 CB 0.606 Z: 12 5.001 1.708 0.305 0.260 0.909 0.364 CB 0.980 20 residues pruned to eliminate duplicates Z: 47 29.134 2.149 0.250 0.557 0.957 0.587 CA 1.581 58 residues pruned to eliminate duplicates Z: 11 14.501 1.837 0.698 0.642 1.000 0.600 N 1.288 11 residues pruned to eliminate duplicates Z: 7 4.021 1.538 0.633 0.380 0.667 0.667 CB 1.114 7 residues pruned to eliminate duplicates Z: 6 5.475 1.967 0.284 0.437 0.800 0.800 CB 1.293 6 residues pruned to eliminate duplicates Z: 8 6.264 1.697 0.348 0.733 0.857 0.571 N 0.979 8 residues pruned to eliminate duplicates Z: 12 15.558 2.057 0.376 0.784 0.909 0.636 CA 1.420 12 residues pruned to eliminate duplicates Z: 7 3.211 1.346 1.152 0.291 0.833 0.333 CA 0.686 Z: 8 6.050 1.468 0.936 0.507 0.714 0.571 CB 1.119 7 residues pruned to eliminate duplicates Z: 28 11.149 2.030 0.314 0.291 0.704 0.370 CB 1.445 28 residues pruned to eliminate duplicates Z: 8 2.207 1.629 0.323 0.270 0.571 0.429 CB 0.880 8 residues pruned to eliminate duplicates Z: 6 2.604 1.201 0.292 0.439 0.800 0.600 CB 0.998 Z: 6 3.553 1.509 0.159 0.583 0.800 0.600 CB 1.048 Z: 7 11.387 1.617 0.954 0.895 1.000 1.000 CA 1.055 7 residues pruned to eliminate duplicates Z: 12 6.111 1.553 0.359 0.531 0.818 0.636 CB 1.035 8 residues pruned to eliminate duplicates Z: 7 3.558 1.352 0.211 0.527 1.000 0.500 CB 0.864 8 residues pruned to eliminate duplicates Z: 15 5.531 1.502 0.166 0.354 0.929 0.429 CB 1.064 23 residues pruned to eliminate duplicates Z: 25 13.421 1.942 0.294 0.296 0.875 0.333 CA 1.565 25 residues pruned to eliminate duplicates Z: 6 4.107 1.443 0.297 0.495 0.800 0.800 CA 1.232 6 residues pruned to eliminate duplicates Z: 6 3.298 1.537 0.251 0.421 1.000 0.800 N 0.832 Z: 9 3.961 1.815 0.225 0.312 0.875 0.250 CB 0.886 9 residues pruned to eliminate duplicates Z: 9 3.718 1.279 0.743 0.422 0.875 0.500 CB 0.731 Z: 13 3.737 1.702 0.288 0.257 0.583 0.167 CB 1.114 13 residues pruned to eliminate duplicates Z: 6 2.695 1.389 0.096 0.479 0.800 0.600 O 1.011 7 residues pruned to eliminate duplicates 7 1.956 1.186 0.136 0.413 0.833 0.333 CB 0.779 ? Z: 7 2.945 1.384 0.080 0.357 1.000 0.667 CA 0.939 Z: 8 9.394 1.890 0.507 0.636 0.857 0.714 CB 1.280 8 residues pruned to eliminate duplicates Z: 15 13.819 2.039 0.385 0.514 1.000 0.786 CA 1.289 15 residues pruned to eliminate duplicates Z: 6 3.728 1.672 -0.236 0.555 1.000 0.400 CB 1.238 7 residues pruned to eliminate duplicates Z: 12 15.844 2.109 0.158 0.820 1.000 0.727 CA 1.482 12 residues pruned to eliminate duplicates Z: 9 2.759 1.270 0.305 0.308 0.750 0.250 CA 0.972 Z: 20 29.483 1.954 0.929 0.878 0.842 0.474 N 1.546 39 residues pruned to eliminate duplicates Z: 26 8.707 1.908 0.263 0.256 0.760 0.400 CB 1.257 26 residues pruned to eliminate duplicates Z: 10 5.347 2.010 0.119 0.257 0.889 0.333 CB 1.177 10 residues pruned to eliminate duplicates Z: 13 31.450 2.152 0.941 0.812 1.000 0.333 CB 1.657 13 residues pruned to eliminate duplicates 6 1.038 1.150 0.188 0.363 0.600 0.600 N 0.657 ? Z: 6 3.213 1.324 0.193 0.451 0.800 0.600 C 1.195 Z: 19 12.822 1.987 0.278 0.524 0.889 0.611 CB 1.307 19 residues pruned to eliminate duplicates Z: 8 3.889 1.611 -0.169 0.353 1.000 0.714 CB 1.287 Z: 6 6.594 2.020 0.306 0.646 0.800 0.800 CA 1.218 6 residues pruned to eliminate duplicates Z: 6 5.591 1.515 0.947 0.502 0.800 0.600 CA 1.057 Z: 6 5.821 1.554 0.400 0.808 0.800 0.800 CA 1.143 6 residues pruned to eliminate duplicates Z: 8 2.256 1.540 0.456 0.161 0.571 0.429 CB 1.007 Z: 9 2.994 1.394 0.143 0.292 0.750 0.375 O 1.118 6 1.173 1.149 -0.301 0.664 1.000 0.800 CB 0.561 ? Z: 6 2.979 1.289 0.631 0.299 0.800 0.400 CA 0.991 Z: 13 6.126 1.682 0.192 0.318 0.750 0.417 CA 1.437 13 residues pruned to eliminate duplicates Z: 8 17.021 2.113 0.386 0.889 1.000 0.143 CB 1.582 8 residues pruned to eliminate duplicates Z: 11 9.308 1.829 0.242 0.836 0.900 0.800 CA 1.078 11 residues pruned to eliminate duplicates Z: 8 3.071 1.454 0.136 0.557 0.857 0.571 CB 0.776 Z: 9 2.223 1.274 0.321 0.288 0.750 0.625 CA 0.791 Z: 23 23.372 2.089 0.528 0.729 0.909 0.455 CB 1.397 23 residues pruned to eliminate duplicates Z: 27 11.997 1.888 0.231 0.379 0.808 0.423 CA 1.426 27 residues pruned to eliminate duplicates 6 1.998 1.273 0.339 0.401 0.800 0.600 CB 0.728 ? Z: 8 6.704 1.613 0.394 0.534 1.000 0.571 CA 1.090 8 residues pruned to eliminate duplicates Z: 6 4.488 1.270 0.936 0.664 0.800 0.600 O 0.876 6 1.964 1.538 0.583 0.253 0.600 0.400 CB 0.799 ? Z: 11 6.394 1.786 0.441 0.408 0.800 0.400 CB 1.081 11 residues pruned to eliminate duplicates Z: 27 15.737 1.821 0.643 0.455 0.885 0.692 CB 1.221 27 residues pruned to eliminate duplicates Z: 12 6.817 1.731 0.270 0.447 0.909 0.455 N 1.086 12 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 6.202 1.709 0.333 0.530 0.800 0.600 CA 1.045 18 residues pruned to eliminate duplicates Z: 10 10.200 1.919 0.466 0.516 0.778 0.667 CA 1.530 10 residues pruned to eliminate duplicates Z: 9 10.883 1.958 0.693 0.540 0.750 0.625 CB 1.487 11 residues pruned to eliminate duplicates Z: 11 13.693 1.820 0.678 0.432 1.000 0.500 N 1.521 10 residues pruned to eliminate duplicates Z: 9 9.882 1.886 0.741 0.466 0.875 0.625 CA 1.259 9 residues pruned to eliminate duplicates Z: 16 8.201 1.735 0.217 0.246 1.000 0.333 CA 1.345 16 residues pruned to eliminate duplicates Z: 16 5.716 1.811 0.297 0.287 0.733 0.400 CB 1.089 16 residues pruned to eliminate duplicates Z: 8 2.986 1.946 0.025 0.345 0.571 0.143 CB 1.171 8 residues pruned to eliminate duplicates Z: 7 4.272 1.978 0.105 0.338 0.833 0.167 CA 1.142 7 residues pruned to eliminate duplicates Z: 15 3.509 1.646 0.191 0.164 0.786 0.357 CB 0.918 6 residues pruned to eliminate duplicates Z: 7 6.154 1.730 0.964 0.258 0.833 0.500 CA 1.170 5 residues pruned to eliminate duplicates Z: 8 8.539 1.733 0.977 0.605 0.857 0.571 CB 0.995 8 residues pruned to eliminate duplicates Z: 7 12.515 1.886 1.175 0.550 1.000 0.667 CA 1.186 7 residues pruned to eliminate duplicates Z: 6 6.628 1.723 0.413 0.847 0.800 0.600 CB 1.130 6 residues pruned to eliminate duplicates Z: 6 4.922 1.616 0.296 0.560 1.000 0.400 CA 0.992 5 residues pruned to eliminate duplicates Z: 8 7.963 1.624 0.340 0.670 1.000 0.429 CA 1.182 8 residues pruned to eliminate duplicates Z: 16 10.089 1.953 0.240 0.396 0.800 0.400 CB 1.501 16 residues pruned to eliminate duplicates Z: 17 8.335 1.862 0.185 0.371 0.938 0.438 CB 1.156 17 residues pruned to eliminate duplicates Z: 13 9.847 1.946 0.224 0.486 0.833 0.500 CA 1.453 13 residues pruned to eliminate duplicates Z: 13 10.220 2.001 0.260 0.452 0.833 0.417 CB 1.476 14 residues pruned to eliminate duplicates Z: 7 3.138 1.443 0.273 0.476 1.000 1.000 CB 0.715 7 residues pruned to eliminate duplicates Z: 18 10.083 1.959 0.394 0.374 0.765 0.529 CA 1.340 18 residues pruned to eliminate duplicates Z: 16 10.761 2.030 0.286 0.427 0.800 0.533 CB 1.435 16 residues pruned to eliminate duplicates Z: 40 19.112 1.970 0.517 0.301 0.821 0.436 CB 1.559 40 residues pruned to eliminate duplicates Z: 17 14.025 2.020 0.489 0.385 0.875 0.688 CB 1.506 17 residues pruned to eliminate duplicates Z: 6 2.393 1.678 0.105 0.151 0.800 0.200 CB 1.109 Z: 18 12.075 2.106 0.293 0.405 0.824 0.529 CB 1.442 24 residues pruned to eliminate duplicates Z: 31 16.325 2.031 0.430 0.279 0.800 0.367 CA 1.647 31 residues pruned to eliminate duplicates Z: 19 12.070 2.130 0.294 0.338 0.778 0.444 CB 1.583 19 residues pruned to eliminate duplicates Z: 35 15.246 1.927 0.448 0.286 0.824 0.382 CA 1.447 52 residues pruned to eliminate duplicates Z: 7 3.759 1.886 0.069 0.249 0.667 0.167 O 1.524 7 residues pruned to eliminate duplicates Z: 18 7.663 1.935 0.395 0.157 0.706 0.176 CB 1.484 18 residues pruned to eliminate duplicates Z: 45 15.625 1.917 0.360 0.268 0.773 0.341 CB 1.522 45 residues pruned to eliminate duplicates Z: 17 8.183 1.977 0.430 0.135 0.812 0.188 CB 1.403 17 residues pruned to eliminate duplicates Z: 40 17.678 2.006 0.507 0.266 0.795 0.333 CB 1.539 40 residues pruned to eliminate duplicates Z: 55 22.917 2.044 0.501 0.303 0.833 0.333 CB 1.519 55 residues pruned to eliminate duplicates 6 1.928 1.571 0.337 0.140 0.600 0.200 CA 1.069 ? Z: 10 4.477 1.470 0.483 0.526 0.889 0.667 CA 0.750 10 residues pruned to eliminate duplicates Z: 23 10.192 1.932 0.265 0.278 0.773 0.273 CA 1.478 23 residues pruned to eliminate duplicates Z: 14 10.439 2.014 0.516 0.311 0.769 0.231 N 1.519 14 residues pruned to eliminate duplicates Z: 50 16.219 2.009 0.245 0.282 0.776 0.347 CB 1.528 50 residues pruned to eliminate duplicates Z: 30 11.046 1.879 0.380 0.180 0.828 0.172 CB 1.405 30 residues pruned to eliminate duplicates Z: 41 13.053 1.954 0.207 0.289 0.800 0.275 CB 1.386 41 residues pruned to eliminate duplicates Z: 34 12.000 1.884 0.561 0.147 0.758 0.242 CB 1.450 34 residues pruned to eliminate duplicates Z: 10 7.628 2.017 0.322 0.214 0.889 0.333 CA 1.503 10 residues pruned to eliminate duplicates Z: 15 8.890 2.023 0.249 0.278 0.857 0.214 CB 1.410 15 residues pruned to eliminate duplicates Z: 11 5.529 2.107 0.113 0.298 0.700 0.100 CB 1.336 11 residues pruned to eliminate duplicates Z: 26 13.683 2.016 0.257 0.341 0.880 0.360 CB 1.459 26 residues pruned to eliminate duplicates Z: 15 8.098 2.031 0.116 0.267 0.857 0.286 CB 1.453 15 residues pruned to eliminate duplicates Z: 13 7.740 2.050 0.303 0.226 0.750 0.333 CB 1.536 13 residues pruned to eliminate duplicates Z: 34 13.129 1.973 0.221 0.330 0.818 0.303 CB 1.398 34 residues pruned to eliminate duplicates Z: 28 10.556 1.978 0.212 0.257 0.741 0.222 CB 1.511 28 residues pruned to eliminate duplicates Z: 10 4.327 1.884 0.185 0.328 0.889 0.444 CB 0.878 10 residues pruned to eliminate duplicates Z: 16 6.803 1.971 0.162 0.319 0.867 0.467 CB 1.080 16 residues pruned to eliminate duplicates Z: 25 8.879 1.934 0.112 0.259 0.833 0.333 CB 1.333 25 residues pruned to eliminate duplicates Z: 19 7.434 1.861 0.231 0.257 0.833 0.389 CB 1.213 17 residues pruned to eliminate duplicates Z: 6 5.081 1.741 -0.004 0.468 1.000 0.000 CA 1.353 6 residues pruned to eliminate duplicates Z: 20 15.029 2.018 0.287 0.541 0.947 0.526 CB 1.345 20 residues pruned to eliminate duplicates Z: 18 16.610 1.981 0.423 0.556 1.000 0.706 CB 1.353 18 residues pruned to eliminate duplicates Z: 18 19.244 2.132 0.329 0.572 1.000 0.706 CB 1.537 34 residues pruned to eliminate duplicates Z: 6 5.278 1.500 0.727 0.473 0.800 0.400 CA 1.171 6 residues pruned to eliminate duplicates Z: 21 18.638 2.029 0.484 0.498 0.900 0.650 CB 1.541 20 residues pruned to eliminate duplicates Z: 6 7.209 1.592 0.871 0.402 1.000 0.800 N 1.200 6 residues pruned to eliminate duplicates Z: 21 19.076 1.990 0.562 0.506 0.950 0.600 CB 1.435 21 residues pruned to eliminate duplicates Z: 6 4.231 1.890 0.684 0.299 0.800 0.200 CB 0.929 6 residues pruned to eliminate duplicates Z: 19 20.785 2.100 0.476 0.528 1.000 0.611 CB 1.538 19 residues pruned to eliminate duplicates Z: 20 18.961 2.080 0.362 0.543 1.000 0.632 CB 1.472 20 residues pruned to eliminate duplicates Z: 8 6.077 1.939 -0.020 0.449 0.857 0.143 CB 1.486 10 residues pruned to eliminate duplicates Z: 8 3.228 1.818 0.205 0.216 0.714 0.143 CB 1.090 8 residues pruned to eliminate duplicates Z: 13 7.059 1.832 0.401 0.301 0.750 0.417 N 1.322 12 residues pruned to eliminate duplicates Z: 6 3.001 1.639 0.211 0.360 0.800 0.400 CB 0.983 Z: 7 3.316 1.345 0.317 0.461 1.000 0.333 CB 0.795 6 residues pruned to eliminate duplicates Z: 6 2.570 1.527 0.258 0.493 1.000 0.400 CB 0.602 5 residues pruned to eliminate duplicates Z: 10 3.803 1.450 0.416 0.545 0.778 0.444 CB 0.760 10 residues pruned to eliminate duplicates Z: 20 9.088 1.731 0.289 0.456 0.895 0.526 CB 1.092 27 residues pruned to eliminate duplicates Z: 7 6.795 1.644 0.237 0.460 1.000 0.500 CB 1.421 8 residues pruned to eliminate duplicates Z: 6 4.830 1.938 0.395 0.385 0.800 0.400 CA 1.128 7 residues pruned to eliminate duplicates Z: 6 3.904 1.682 0.676 0.400 0.800 0.400 CA 0.860 6 residues pruned to eliminate duplicates Z: 9 8.165 2.000 0.133 0.454 0.875 0.625 CB 1.525 10 residues pruned to eliminate duplicates Z: 7 6.517 1.660 0.336 0.556 1.000 0.833 CA 1.135 7 residues pruned to eliminate duplicates Z: 13 9.345 1.778 0.386 0.423 0.917 0.583 CB 1.294 11 residues pruned to eliminate duplicates Z: 6 2.851 1.398 0.555 0.486 0.800 0.800 CB 0.743 6 residues pruned to eliminate duplicates Z: 6 6.731 1.998 0.617 0.492 0.600 0.200 CB 1.565 6 residues pruned to eliminate duplicates Z: 17 12.207 1.958 0.400 0.479 0.938 0.625 CA 1.213 21 residues pruned to eliminate duplicates Z: 17 13.065 1.914 0.496 0.451 0.938 0.688 CA 1.279 17 residues pruned to eliminate duplicates Z: 21 11.312 1.716 0.540 0.488 0.900 0.550 CA 1.076 21 residues pruned to eliminate duplicates Z: 52 26.241 1.985 0.320 0.665 0.961 0.627 CA 1.253 59 residues pruned to eliminate duplicates Z: 6 4.200 1.772 0.679 0.385 0.800 0.800 CA 0.892 6 residues pruned to eliminate duplicates Z: 15 10.653 1.922 0.568 0.368 0.857 0.429 CA 1.271 15 residues pruned to eliminate duplicates Z: 29 20.419 2.069 0.248 0.748 1.000 0.714 CA 1.197 29 residues pruned to eliminate duplicates Z: 40 22.094 1.957 0.509 0.585 0.923 0.590 CA 1.196 100 residues pruned to eliminate duplicates Z: 20 24.562 2.069 0.752 0.851 0.947 0.684 CA 1.214 20 residues pruned to eliminate duplicates Z: 49 31.009 2.047 0.507 0.664 0.979 0.583 CA 1.273 57 residues pruned to eliminate duplicates Z: 18 23.239 2.103 0.469 0.924 1.000 0.647 CA 1.281 18 residues pruned to eliminate duplicates Z: 47 25.739 2.020 0.428 0.570 0.957 0.435 CA 1.286 47 residues pruned to eliminate duplicates Z: 18 19.959 2.129 0.388 0.894 0.882 0.471 CA 1.332 18 residues pruned to eliminate duplicates Z: 21 16.721 1.998 0.460 0.840 0.800 0.550 CA 1.196 21 residues pruned to eliminate duplicates Z: 44 23.852 1.842 0.579 0.566 0.930 0.465 CA 1.261 34 residues pruned to eliminate duplicates Z: 17 24.015 2.010 0.998 0.870 0.875 0.562 CA 1.247 17 residues pruned to eliminate duplicates Z: 30 23.465 2.012 0.556 0.659 0.966 0.517 CA 1.244 30 residues pruned to eliminate duplicates Z: 19 18.159 2.027 0.605 0.770 0.833 0.389 CA 1.242 19 residues pruned to eliminate duplicates Z: 20 19.656 2.045 0.695 0.728 0.842 0.421 CA 1.258 20 residues pruned to eliminate duplicates Z: 33 20.759 2.006 0.320 0.653 0.938 0.469 CA 1.282 33 residues pruned to eliminate duplicates Z: 16 19.173 2.090 0.741 0.849 0.800 0.600 CA 1.261 16 residues pruned to eliminate duplicates Z: 28 23.926 2.095 0.591 0.709 0.926 0.667 CA 1.233 28 residues pruned to eliminate duplicates Z: 56 28.847 2.015 0.547 0.628 0.855 0.491 CA 1.294 48 residues pruned to eliminate duplicates Z: 17 22.335 2.026 0.813 0.898 0.938 0.688 CA 1.160 17 residues pruned to eliminate duplicates Z: 28 24.001 2.037 0.600 0.711 0.889 0.630 CA 1.317 28 residues pruned to eliminate duplicates Z: 12 23.237 2.143 0.823 0.845 1.000 0.636 CA 1.333 12 residues pruned to eliminate duplicates Z: 20 20.063 2.113 0.499 0.794 0.842 0.474 CA 1.334 20 residues pruned to eliminate duplicates Z: 15 10.153 1.643 0.506 0.444 1.000 0.571 CA 1.161 15 residues pruned to eliminate duplicates Z: 22 14.912 1.862 0.353 0.553 0.952 0.524 CB 1.288 22 residues pruned to eliminate duplicates Z: 50 27.120 2.035 0.331 0.639 0.939 0.592 CA 1.338 50 residues pruned to eliminate duplicates Z: 40 25.113 1.991 0.538 0.636 0.872 0.385 CA 1.326 40 residues pruned to eliminate duplicates Z: 50 26.458 2.015 0.427 0.588 0.898 0.531 CA 1.345 50 residues pruned to eliminate duplicates Z: 17 13.766 2.048 0.322 0.590 0.938 0.500 CA 1.244 17 residues pruned to eliminate duplicates Z: 16 13.969 2.096 0.197 0.603 0.933 0.667 CA 1.396 16 residues pruned to eliminate duplicates Z: 21 17.117 1.958 0.306 0.620 1.000 0.550 CB 1.335 21 residues pruned to eliminate duplicates Z: 50 29.725 2.020 0.424 0.681 0.959 0.490 CA 1.304 50 residues pruned to eliminate duplicates Z: 19 13.839 1.963 0.136 0.636 1.000 0.333 CB 1.287 19 residues pruned to eliminate duplicates Z: 17 14.706 2.056 0.248 0.609 0.938 0.312 CB 1.378 17 residues pruned to eliminate duplicates Z: 17 14.349 2.041 0.180 0.705 0.938 0.562 CA 1.318 17 residues pruned to eliminate duplicates Z: 16 16.431 2.114 0.236 0.668 1.000 0.400 CA 1.391 16 residues pruned to eliminate duplicates Z: 18 15.559 1.965 0.211 0.669 1.000 0.529 CA 1.356 18 residues pruned to eliminate duplicates Z: 15 14.501 2.105 0.328 0.667 0.857 0.357 CB 1.386 15 residues pruned to eliminate duplicates Z: 8 11.822 2.139 0.387 0.524 1.000 0.143 CB 1.471 8 residues pruned to eliminate duplicates Z: 16 14.001 2.073 0.258 0.643 1.000 0.400 CA 1.213 16 residues pruned to eliminate duplicates Z: 15 19.559 2.140 0.411 0.701 1.000 0.571 CB 1.441 23 residues pruned to eliminate duplicates Z: 6 12.089 1.712 0.681 0.776 1.000 0.800 C 1.472 6 residues pruned to eliminate duplicates Z: 13 13.558 1.807 0.807 0.511 0.917 0.583 CB 1.293 13 residues pruned to eliminate duplicates Z: 17 17.679 1.943 0.888 0.433 0.812 0.562 CB 1.590 17 residues pruned to eliminate duplicates Z: 43 35.751 2.115 0.578 0.596 0.905 0.619 CA 1.666 43 residues pruned to eliminate duplicates Z: 11 13.575 1.812 0.556 0.623 1.000 0.600 CB 1.357 11 residues pruned to eliminate duplicates Z: 6 4.331 1.546 1.044 0.260 1.000 0.400 CA 0.807 6 residues pruned to eliminate duplicates Z: 8 7.422 1.835 1.268 0.434 0.857 0.571 CB 0.841 8 residues pruned to eliminate duplicates Z: 13 15.758 1.795 0.816 0.535 0.917 0.500 N 1.470 12 residues pruned to eliminate duplicates Z: 6 3.731 1.625 0.953 0.237 0.800 0.600 CA 0.892 Z: 42 34.922 2.045 0.735 0.596 0.902 0.610 CA 1.554 42 residues pruned to eliminate duplicates Z: 34 28.598 2.081 0.613 0.630 0.879 0.667 CA 1.493 34 residues pruned to eliminate duplicates Z: 12 8.838 1.893 0.610 0.398 0.727 0.455 CA 1.339 12 residues pruned to eliminate duplicates Z: 31 27.177 2.113 0.468 0.627 0.933 0.667 CB 1.521 31 residues pruned to eliminate duplicates Z: 34 27.863 2.054 0.650 0.574 0.909 0.606 CA 1.466 34 residues pruned to eliminate duplicates Z: 26 23.702 2.074 0.658 0.573 0.960 0.640 CB 1.339 26 residues pruned to eliminate duplicates Z: 33 26.857 2.076 0.613 0.443 0.906 0.625 CA 1.658 34 residues pruned to eliminate duplicates Z: 6 3.878 1.312 0.736 0.456 1.000 1.000 CA 0.797 6 residues pruned to eliminate duplicates Z: 19 16.118 2.146 0.459 0.384 0.944 0.556 CB 1.455 19 residues pruned to eliminate duplicates Z: 18 15.993 2.156 0.543 0.399 0.882 0.706 CB 1.470 18 residues pruned to eliminate duplicates Z: 41 31.588 2.040 0.622 0.593 0.925 0.650 CA 1.493 41 residues pruned to eliminate duplicates Z: 22 17.961 2.120 0.602 0.435 0.905 0.667 CB 1.364 22 residues pruned to eliminate duplicates Z: 44 30.783 1.977 0.675 0.587 0.930 0.605 CA 1.402 44 residues pruned to eliminate duplicates Z: 43 34.965 2.067 0.841 0.534 0.857 0.595 CA 1.600 43 residues pruned to eliminate duplicates Z: 32 25.401 2.039 0.633 0.630 0.839 0.645 CB 1.445 32 residues pruned to eliminate duplicates Z: 31 29.387 2.098 0.573 0.613 0.900 0.567 CA 1.622 31 residues pruned to eliminate duplicates Z: 44 36.126 2.017 0.803 0.580 0.907 0.581 CA 1.547 40 residues pruned to eliminate duplicates Z: 12 22.696 2.033 0.627 0.915 1.000 0.455 CB 1.461 12 residues pruned to eliminate duplicates Z: 42 33.065 2.035 0.655 0.573 0.927 0.537 CB 1.542 42 residues pruned to eliminate duplicates Z: 42 32.305 2.010 0.699 0.619 0.902 0.585 CB 1.464 42 residues pruned to eliminate duplicates Z: 39 37.009 2.057 0.708 0.645 0.921 0.684 CA 1.620 39 residues pruned to eliminate duplicates Z: 35 30.022 2.102 0.484 0.679 0.882 0.588 CB 1.587 35 residues pruned to eliminate duplicates Z: 36 32.426 2.069 0.688 0.657 0.857 0.600 CA 1.582 36 residues pruned to eliminate duplicates Z: 38 36.014 2.086 0.734 0.613 0.946 0.676 CB 1.554 38 residues pruned to eliminate duplicates Z: 35 32.340 2.086 0.692 0.617 0.912 0.500 CB 1.544 35 residues pruned to eliminate duplicates Z: 37 31.768 2.065 0.786 0.598 0.889 0.528 CB 1.471 37 residues pruned to eliminate duplicates Z: 43 36.235 2.064 0.746 0.583 0.905 0.548 CB 1.583 43 residues pruned to eliminate duplicates Z: 44 27.205 2.006 0.536 0.600 0.884 0.558 CB 1.386 44 residues pruned to eliminate duplicates Z: 25 20.185 1.961 0.595 0.607 0.792 0.458 CB 1.503 25 residues pruned to eliminate duplicates Z: 40 34.392 2.071 0.659 0.632 0.923 0.487 CB 1.534 40 residues pruned to eliminate duplicates Z: 51 27.634 1.951 0.736 0.540 0.840 0.400 CB 1.320 51 residues pruned to eliminate duplicates Z: 43 37.013 2.048 0.839 0.622 0.905 0.452 CB 1.494 43 residues pruned to eliminate duplicates Z: 18 14.647 1.825 0.532 0.565 0.824 0.412 CA 1.448 16 residues pruned to eliminate duplicates Z: 8 6.031 1.720 0.203 0.480 1.000 0.571 CA 1.124 8 residues pruned to eliminate duplicates Z: 27 24.164 2.311 0.550 0.361 0.962 0.538 CA 1.599 27 residues pruned to eliminate duplicates Z: 31 19.407 2.142 0.483 0.308 0.967 0.400 CA 1.429 31 residues pruned to eliminate duplicates Z: 27 26.558 2.308 0.582 0.361 1.000 0.615 CA 1.658 27 residues pruned to eliminate duplicates Z: 6 4.362 1.691 1.392 0.260 0.800 0.400 CB 0.794 6 residues pruned to eliminate duplicates Z: 14 18.471 2.260 0.742 0.347 1.000 0.385 CB 1.537 14 residues pruned to eliminate duplicates Z: 28 22.948 2.240 0.461 0.369 0.963 0.593 CA 1.613 28 residues pruned to eliminate duplicates Z: 25 18.815 2.282 0.441 0.311 0.958 0.500 CA 1.504 25 residues pruned to eliminate duplicates Z: 30 18.747 2.147 0.476 0.288 0.931 0.517 CA 1.497 30 residues pruned to eliminate duplicates Z: 28 17.124 2.205 0.394 0.296 0.889 0.444 CB 1.515 28 residues pruned to eliminate duplicates Z: 26 16.306 2.228 0.416 0.306 0.920 0.360 CA 1.394 26 residues pruned to eliminate duplicates Z: 29 22.109 2.222 0.502 0.371 0.964 0.500 CA 1.490 29 residues pruned to eliminate duplicates Z: 27 24.695 2.315 0.584 0.372 0.923 0.538 CA 1.641 27 residues pruned to eliminate duplicates Z: 27 21.128 2.291 0.532 0.307 0.923 0.500 CA 1.584 27 residues pruned to eliminate duplicates Z: 29 18.971 2.189 0.402 0.338 0.964 0.571 CA 1.446 29 residues pruned to eliminate duplicates Z: 27 21.986 2.276 0.577 0.300 0.962 0.577 CA 1.562 27 residues pruned to eliminate duplicates Z: 27 22.201 2.299 0.530 0.354 0.885 0.500 CB 1.638 27 residues pruned to eliminate duplicates Z: 30 21.721 2.165 0.550 0.381 0.966 0.517 CA 1.413 30 residues pruned to eliminate duplicates Z: 22 17.979 2.256 0.484 0.335 0.952 0.619 CA 1.474 22 residues pruned to eliminate duplicates Z: 27 22.939 2.309 0.487 0.342 0.962 0.615 CA 1.618 27 residues pruned to eliminate duplicates Z: 28 17.665 2.232 0.538 0.270 0.889 0.593 CA 1.447 28 residues pruned to eliminate duplicates Z: 29 18.787 2.177 0.433 0.343 0.893 0.429 CB 1.512 29 residues pruned to eliminate duplicates Z: 28 22.081 2.248 0.558 0.341 0.963 0.481 CA 1.499 28 residues pruned to eliminate duplicates Z: 29 17.848 2.200 0.454 0.270 0.929 0.464 CA 1.475 29 residues pruned to eliminate duplicates Z: 45 24.052 2.178 0.474 0.304 0.932 0.500 CA 1.507 45 residues pruned to eliminate duplicates Z: 57 24.098 2.116 0.467 0.289 0.857 0.411 CB 1.534 57 residues pruned to eliminate duplicates Z: 29 15.145 1.950 0.312 0.455 0.857 0.464 CA 1.367 29 residues pruned to eliminate duplicates Z: 6 3.727 1.952 -0.009 0.334 1.000 0.200 CA 1.033 6 residues pruned to eliminate duplicates Z: 32 17.167 2.041 0.424 0.360 0.839 0.484 CB 1.471 32 residues pruned to eliminate duplicates Z: 28 17.037 2.114 0.430 0.356 0.852 0.407 CB 1.487 28 residues pruned to eliminate duplicates Z: 32 15.310 2.038 0.401 0.340 0.774 0.452 CB 1.481 32 residues pruned to eliminate duplicates Z: 56 22.710 2.128 0.386 0.326 0.800 0.436 CB 1.571 56 residues pruned to eliminate duplicates Z: 31 16.649 2.000 0.499 0.365 0.833 0.567 CB 1.408 31 residues pruned to eliminate duplicates Z: 29 15.280 2.026 0.313 0.380 0.857 0.643 CB 1.439 29 residues pruned to eliminate duplicates Z: 22 13.689 2.096 0.354 0.359 0.857 0.524 CA 1.429 22 residues pruned to eliminate duplicates Z: 35 14.393 1.936 0.368 0.407 0.794 0.529 CB 1.294 35 residues pruned to eliminate duplicates Z: 30 14.817 2.033 0.351 0.348 0.828 0.483 CB 1.427 30 residues pruned to eliminate duplicates Z: 31 17.033 2.050 0.342 0.337 0.900 0.400 CB 1.501 31 residues pruned to eliminate duplicates Z: 24 15.818 2.087 0.542 0.350 0.826 0.478 CA 1.459 24 residues pruned to eliminate duplicates Z: 22 14.362 2.082 0.337 0.354 0.905 0.524 CA 1.457 22 residues pruned to eliminate duplicates Z: 12 7.696 1.969 0.447 0.370 0.727 0.273 CA 1.287 12 residues pruned to eliminate duplicates Z: 23 12.614 2.101 0.308 0.326 0.818 0.409 CB 1.449 23 residues pruned to eliminate duplicates Z: 18 8.745 1.961 0.254 0.366 0.824 0.529 CB 1.210 18 residues pruned to eliminate duplicates Z: 21 9.201 1.966 0.400 0.318 0.700 0.500 CB 1.305 21 residues pruned to eliminate duplicates Z: 64 25.624 2.096 0.372 0.323 0.873 0.429 CB 1.562 64 residues pruned to eliminate duplicates Z: 30 16.759 2.078 0.370 0.363 0.897 0.448 CB 1.413 30 residues pruned to eliminate duplicates Z: 28 16.491 2.107 0.308 0.386 0.889 0.556 CB 1.462 28 residues pruned to eliminate duplicates Z: 57 24.207 2.128 0.436 0.334 0.857 0.446 CB 1.481 57 residues pruned to eliminate duplicates Z: 18 10.630 2.075 0.238 0.423 0.765 0.471 CB 1.421 18 residues pruned to eliminate duplicates Z: 30 17.642 2.021 0.427 0.399 0.862 0.448 CB 1.465 30 residues pruned to eliminate duplicates Z: 20 10.472 2.073 0.304 0.389 0.737 0.474 CB 1.357 20 residues pruned to eliminate duplicates Z: 26 13.204 2.023 0.352 0.336 0.800 0.480 CB 1.444 26 residues pruned to eliminate duplicates Z: 18 7.579 1.937 0.306 0.292 0.706 0.412 CB 1.300 18 residues pruned to eliminate duplicates Z: 11 7.310 2.087 0.086 0.483 0.700 0.600 CB 1.481 11 residues pruned to eliminate duplicates Z: 36 16.893 2.070 0.317 0.351 0.829 0.571 CB 1.487 36 residues pruned to eliminate duplicates Z: 21 11.140 1.910 0.301 0.370 0.900 0.450 CB 1.281 21 residues pruned to eliminate duplicates Z: 6 5.296 2.013 0.299 0.478 0.600 0.600 N 1.543 6 residues pruned to eliminate duplicates Z: 12 8.344 2.037 0.366 0.305 0.727 0.545 CB 1.545 12 residues pruned to eliminate duplicates Z: 21 8.661 1.829 0.401 0.401 0.750 0.500 CB 1.119 21 residues pruned to eliminate duplicates Z: 15 8.059 2.001 0.265 0.349 0.714 0.357 CB 1.404 15 residues pruned to eliminate duplicates Z: 15 7.983 1.987 0.298 0.273 0.786 0.286 CB 1.361 15 residues pruned to eliminate duplicates Z: 39 35.479 2.267 0.555 0.600 0.921 0.553 CB 1.611 39 residues pruned to eliminate duplicates Z: 32 35.055 2.259 0.639 0.637 0.935 0.548 CB 1.599 32 residues pruned to eliminate duplicates Z: 46 35.760 2.193 0.475 0.610 0.956 0.600 CB 1.555 46 residues pruned to eliminate duplicates Z: 30 25.584 2.101 0.628 0.536 0.897 0.552 CB 1.496 30 residues pruned to eliminate duplicates Z: 38 33.813 2.269 0.391 0.617 0.946 0.649 CA 1.667 38 residues pruned to eliminate duplicates Z: 20 26.337 2.206 0.681 0.619 1.000 0.632 CA 1.456 20 residues pruned to eliminate duplicates Z: 31 32.910 2.156 0.595 0.671 0.933 0.567 CB 1.598 31 residues pruned to eliminate duplicates Z: 39 37.241 2.245 0.543 0.593 0.974 0.447 CA 1.639 39 residues pruned to eliminate duplicates Z: 39 30.753 2.233 0.499 0.584 0.842 0.500 CB 1.633 39 residues pruned to eliminate duplicates Z: 31 32.499 2.169 0.636 0.645 0.933 0.533 CB 1.565 31 residues pruned to eliminate duplicates Z: 40 28.978 2.197 0.548 0.557 0.897 0.436 CB 1.438 40 residues pruned to eliminate duplicates Z: 38 29.745 2.245 0.367 0.600 0.892 0.459 CB 1.624 38 residues pruned to eliminate duplicates Z: 37 32.711 2.245 0.648 0.597 0.889 0.528 CB 1.511 37 residues pruned to eliminate duplicates Z: 73 39.221 2.158 0.533 0.572 0.903 0.500 CB 1.444 73 residues pruned to eliminate duplicates Z: 38 36.353 2.254 0.609 0.622 0.919 0.432 CB 1.599 38 residues pruned to eliminate duplicates Z: 52 40.977 2.257 0.620 0.580 0.941 0.392 CB 1.544 52 residues pruned to eliminate duplicates Z: 43 33.057 2.233 0.485 0.645 0.833 0.571 CB 1.613 43 residues pruned to eliminate duplicates Z: 37 40.441 2.280 0.622 0.633 0.972 0.611 CA 1.654 37 residues pruned to eliminate duplicates Z: 66 38.167 2.221 0.481 0.587 0.877 0.477 CB 1.510 66 residues pruned to eliminate duplicates Z: 44 38.866 2.187 0.668 0.631 0.953 0.488 CB 1.507 44 residues pruned to eliminate duplicates Z: 39 37.212 2.249 0.675 0.597 0.947 0.526 CB 1.542 39 residues pruned to eliminate duplicates Z: 38 39.737 2.251 0.779 0.602 0.946 0.432 CB 1.564 38 residues pruned to eliminate duplicates Z: 40 32.739 2.225 0.612 0.580 0.846 0.436 CB 1.600 40 residues pruned to eliminate duplicates Z: 29 37.460 2.309 0.658 0.702 0.929 0.464 CB 1.656 29 residues pruned to eliminate duplicates Z: 50 41.268 2.197 0.664 0.612 0.939 0.469 CB 1.544 50 residues pruned to eliminate duplicates Z: 41 38.428 2.181 0.788 0.589 0.900 0.425 CB 1.589 41 residues pruned to eliminate duplicates Z: 37 36.241 2.264 0.676 0.590 0.944 0.389 CB 1.546 37 residues pruned to eliminate duplicates Z: 38 33.200 2.224 0.677 0.603 0.838 0.514 CA 1.584 38 residues pruned to eliminate duplicates Z: 38 41.770 2.257 0.773 0.607 0.946 0.514 CA 1.639 38 residues pruned to eliminate duplicates Z: 37 37.830 2.239 0.746 0.633 0.889 0.472 CB 1.601 37 residues pruned to eliminate duplicates Z: 38 39.581 2.260 0.741 0.634 0.892 0.514 CA 1.636 38 residues pruned to eliminate duplicates Z: 37 31.393 2.269 0.573 0.641 0.806 0.444 CB 1.594 37 residues pruned to eliminate duplicates Z: 26 30.221 2.240 0.807 0.656 0.840 0.320 CB 1.538 26 residues pruned to eliminate duplicates Z: 45 37.992 2.193 0.704 0.639 0.886 0.432 CB 1.518 45 residues pruned to eliminate duplicates Z: 71 49.083 2.220 0.636 0.591 0.943 0.443 CB 1.570 71 residues pruned to eliminate duplicates Z: 72 42.670 2.191 0.571 0.574 0.901 0.451 CB 1.520 72 residues pruned to eliminate duplicates Z: 70 43.750 2.184 0.676 0.555 0.899 0.536 CB 1.519 70 residues pruned to eliminate duplicates Z: 46 32.289 2.168 0.626 0.585 0.822 0.378 CB 1.530 46 residues pruned to eliminate duplicates Z: 67 39.465 2.193 0.536 0.542 0.924 0.576 CB 1.497 67 residues pruned to eliminate duplicates Z: 66 44.342 2.247 0.524 0.574 0.954 0.492 CB 1.567 66 residues pruned to eliminate duplicates Z: 50 28.147 2.107 0.572 0.469 0.857 0.490 CB 1.462 49 residues pruned to eliminate duplicates Z: 6 4.207 1.840 0.287 0.339 1.000 0.200 CB 0.946 6 residues pruned to eliminate duplicates Z: 68 34.683 2.182 0.567 0.539 0.836 0.418 CB 1.427 68 residues pruned to eliminate duplicates Z: 23 21.299 2.154 0.514 0.443 0.955 0.500 CB 1.546 23 residues pruned to eliminate duplicates Z: 53 42.980 2.265 0.626 0.600 0.942 0.423 CB 1.561 53 residues pruned to eliminate duplicates Z: 28 20.212 2.069 0.526 0.448 0.963 0.556 CB 1.349 28 residues pruned to eliminate duplicates Z: 46 25.001 2.087 0.493 0.465 0.911 0.467 CB 1.361 46 residues pruned to eliminate duplicates Z: 30 18.398 2.058 0.503 0.401 0.862 0.517 CB 1.422 29 residues pruned to eliminate duplicates Z: 6 6.141 1.498 0.927 0.428 1.000 0.600 CA 1.026 6 residues pruned to eliminate duplicates Z: 72 45.148 2.206 0.554 0.578 0.944 0.451 CB 1.536 72 residues pruned to eliminate duplicates Z: 12 16.151 2.060 0.438 0.669 1.000 0.545 CA 1.406 13 residues pruned to eliminate duplicates Z: 12 10.900 1.834 0.268 0.721 0.818 0.545 CA 1.414 12 residues pruned to eliminate duplicates Z: 14 15.951 1.996 0.537 0.601 0.923 0.615 CA 1.418 14 residues pruned to eliminate duplicates Z: 18 21.248 2.092 0.559 0.647 0.882 0.647 CA 1.562 18 residues pruned to eliminate duplicates Z: 12 14.463 1.736 0.709 0.829 1.000 0.636 CA 1.106 11 residues pruned to eliminate duplicates Z: 11 12.399 1.812 0.587 0.816 0.900 0.500 CA 1.151 11 residues pruned to eliminate duplicates Z: 14 16.735 1.971 0.616 0.645 0.846 0.615 CA 1.504 15 residues pruned to eliminate duplicates Z: 11 16.603 1.873 0.673 0.856 1.000 0.700 CA 1.236 11 residues pruned to eliminate duplicates Z: 71 44.963 2.212 0.562 0.577 0.914 0.471 CB 1.580 71 residues pruned to eliminate duplicates Z: 33 20.381 2.108 0.450 0.445 0.906 0.406 CB 1.376 33 residues pruned to eliminate duplicates Z: 16 29.135 2.253 0.612 0.764 1.000 0.667 CB 1.638 15 residues pruned to eliminate duplicates Z: 23 29.193 2.132 0.626 0.764 0.955 0.727 CB 1.488 23 residues pruned to eliminate duplicates Z: 26 26.591 2.051 0.718 0.669 0.920 0.560 CA 1.404 26 residues pruned to eliminate duplicates Z: 25 25.989 2.097 0.541 0.716 0.917 0.375 CA 1.473 25 residues pruned to eliminate duplicates Z: 25 24.411 2.085 0.636 0.661 0.875 0.375 CB 1.437 24 residues pruned to eliminate duplicates Z: 19 25.706 2.152 0.570 0.868 0.944 0.611 CA 1.388 19 residues pruned to eliminate duplicates Z: 27 26.485 2.053 0.603 0.696 0.962 0.577 CA 1.373 27 residues pruned to eliminate duplicates Z: 24 27.059 2.119 0.613 0.701 0.957 0.435 CB 1.437 24 residues pruned to eliminate duplicates Z: 25 28.654 2.090 0.741 0.711 0.917 0.375 CB 1.448 25 residues pruned to eliminate duplicates Z: 20 18.889 2.145 0.401 0.710 0.842 0.474 CB 1.416 20 residues pruned to eliminate duplicates Z: 31 23.556 2.001 0.588 0.624 0.867 0.433 CB 1.389 31 residues pruned to eliminate duplicates Z: 22 32.485 2.192 0.956 0.698 0.952 0.524 CB 1.448 22 residues pruned to eliminate duplicates Z: 26 26.635 2.094 0.773 0.661 0.840 0.520 CB 1.471 26 residues pruned to eliminate duplicates Z: 25 25.324 2.126 0.757 0.664 0.833 0.583 CB 1.426 25 residues pruned to eliminate duplicates Z: 25 16.400 2.071 0.517 0.656 0.667 0.167 CB 1.383 25 residues pruned to eliminate duplicates Z: 24 29.210 2.173 0.877 0.709 0.826 0.478 CB 1.496 24 residues pruned to eliminate duplicates Z: 18 19.309 2.100 0.690 0.725 0.765 0.353 CB 1.408 18 residues pruned to eliminate duplicates Z: 26 20.842 2.014 0.706 0.661 0.760 0.480 CB 1.376 26 residues pruned to eliminate duplicates Z: 23 32.252 2.161 0.894 0.773 0.909 0.409 CB 1.451 25 residues pruned to eliminate duplicates Z: 19 34.282 2.204 0.890 0.895 0.944 0.500 CB 1.472 19 residues pruned to eliminate duplicates Z: 8 2.082 1.529 0.057 0.128 0.714 0.143 C 1.086 8 residues pruned to eliminate duplicates 6 1.782 1.296 0.314 0.185 0.800 0.200 CA 0.854 ? Z: 9 3.444 1.328 0.763 0.435 0.625 0.500 N 0.890 8 residues pruned to eliminate duplicates Z: 6 7.183 1.802 0.531 0.559 0.800 0.200 CA 1.375 6 residues pruned to eliminate duplicates Z: 20 12.195 1.848 0.515 0.378 0.842 0.474 CB 1.351 23 residues pruned to eliminate duplicates Z: 7 5.147 1.744 0.490 0.445 0.833 0.167 CA 1.026 7 residues pruned to eliminate duplicates Z: 24 10.796 1.755 0.548 0.334 0.783 0.304 CB 1.270 24 residues pruned to eliminate duplicates Z: 8 4.336 1.799 0.306 0.571 0.714 0.714 CB 0.912 8 residues pruned to eliminate duplicates Z: 9 7.268 1.897 0.620 0.512 0.875 0.625 CB 0.943 9 residues pruned to eliminate duplicates Z: 11 6.581 1.797 0.524 0.404 0.700 0.300 CB 1.201 11 residues pruned to eliminate duplicates Z: 9 8.044 1.877 0.740 0.530 0.875 0.500 CB 0.966 9 residues pruned to eliminate duplicates Z: 12 8.565 1.749 0.510 0.466 0.818 0.545 CB 1.237 12 residues pruned to eliminate duplicates Z: 11 9.290 1.988 0.656 0.458 0.800 0.300 CB 1.164 11 residues pruned to eliminate duplicates Z: 6 5.402 1.683 0.951 0.526 0.600 0.400 CB 1.196 5 residues pruned to eliminate duplicates Z: 7 2.265 1.160 1.005 0.361 0.667 0.167 CB 0.692 7 residues pruned to eliminate duplicates Z: 28 14.533 1.923 0.430 0.373 0.852 0.333 CA 1.368 29 residues pruned to eliminate duplicates Z: 6 2.962 1.572 0.214 0.358 0.800 0.400 CB 1.011 6 residues pruned to eliminate duplicates Z: 24 10.290 1.899 0.209 0.359 0.739 0.609 CB 1.472 24 residues pruned to eliminate duplicates Z: 17 9.916 2.068 0.115 0.448 0.812 0.500 CA 1.396 17 residues pruned to eliminate duplicates Z: 19 11.238 2.088 0.208 0.420 0.778 0.500 CA 1.468 19 residues pruned to eliminate duplicates Z: 25 9.935 1.914 0.206 0.338 0.792 0.417 CB 1.325 25 residues pruned to eliminate duplicates Z: 20 15.772 2.074 0.190 0.482 0.947 0.474 CB 1.577 20 residues pruned to eliminate duplicates Z: 17 10.758 2.184 0.101 0.452 0.750 0.500 CA 1.567 17 residues pruned to eliminate duplicates Z: 19 12.678 2.032 0.243 0.429 0.889 0.500 CA 1.433 19 residues pruned to eliminate duplicates Z: 22 10.120 2.049 0.310 0.321 0.762 0.429 CB 1.317 22 residues pruned to eliminate duplicates Z: 27 12.690 1.975 0.159 0.379 0.923 0.308 CB 1.340 27 residues pruned to eliminate duplicates Z: 21 12.608 2.079 0.251 0.317 0.900 0.350 CA 1.475 17 residues pruned to eliminate duplicates Z: 8 7.343 1.799 0.461 0.326 0.857 0.857 CA 1.492 8 residues pruned to eliminate duplicates Z: 21 12.022 2.017 0.290 0.457 0.750 0.450 CA 1.439 21 residues pruned to eliminate duplicates Z: 37 21.851 2.057 0.350 0.455 0.889 0.667 CA 1.546 37 residues pruned to eliminate duplicates Z: 7 5.657 1.877 0.241 0.409 1.000 0.667 CA 1.090 7 residues pruned to eliminate duplicates Z: 30 14.296 1.952 0.230 0.339 0.897 0.448 CB 1.470 29 residues pruned to eliminate duplicates Z: 6 5.488 1.973 0.257 0.375 1.000 0.400 CA 1.131 6 residues pruned to eliminate duplicates Z: 42 16.089 1.949 0.237 0.323 0.902 0.488 CB 1.404 42 residues pruned to eliminate duplicates Z: 37 19.307 2.025 0.351 0.474 0.917 0.639 CB 1.318 37 residues pruned to eliminate duplicates Z: 12 13.201 2.007 0.530 0.571 0.909 0.909 CA 1.331 12 residues pruned to eliminate duplicates Z: 33 21.452 2.089 0.412 0.490 0.906 0.656 CB 1.433 33 residues pruned to eliminate duplicates Z: 37 22.784 2.032 0.398 0.456 0.972 0.611 CB 1.438 37 residues pruned to eliminate duplicates Z: 11 11.708 1.956 0.620 0.686 1.000 0.800 CA 0.985 10 residues pruned to eliminate duplicates Z: 9 9.957 2.061 0.251 0.666 1.000 0.625 CA 1.172 9 residues pruned to eliminate duplicates Z: 12 12.179 2.059 0.422 0.512 0.909 0.909 CA 1.364 12 residues pruned to eliminate duplicates Z: 21 14.716 1.942 0.463 0.480 0.900 0.600 CA 1.314 21 residues pruned to eliminate duplicates Z: 17 11.372 1.970 0.619 0.494 0.750 0.625 CA 1.196 17 residues pruned to eliminate duplicates Z: 9 6.511 1.835 0.835 0.363 0.750 0.500 CB 1.056 9 residues pruned to eliminate duplicates Z: 11 4.058 1.553 0.390 0.160 0.700 0.300 CB 1.286 11 residues pruned to eliminate duplicates Z: 20 18.017 2.003 0.684 0.559 0.895 0.579 CA 1.293 20 residues pruned to eliminate duplicates Z: 8 4.600 1.796 0.412 0.241 0.857 0.429 CB 1.079 8 residues pruned to eliminate duplicates Z: 6 2.074 1.498 0.298 0.219 0.800 0.600 N 0.829 6 residues pruned to eliminate duplicates Z: 10 4.710 1.674 0.238 0.287 1.000 0.444 CA 0.963 10 residues pruned to eliminate duplicates 498 residues left after pruning, divided into chains as follows: A: 13 B: 9 C: 7 D: 10 E: 16 F: 20 G: 10 H: 19 I: 12 J: 59 K: 55 L: 133 M: 23 N: 24 O: 18 P: 6 Q: 38 R: 18 S: 8 CC for partial structure against native data = 17.04 % ------------------------------------------------------------------------------ Global autotracing cycle 22 = 0.300, Contrast = 0.416, Connect. = 0.677 for dens.mod. cycle 1 = 0.300, Contrast = 0.481, Connect. = 0.701 for dens.mod. cycle 2 = 0.300, Contrast = 0.550, Connect. = 0.735 for dens.mod. cycle 3 = 0.300, Contrast = 0.558, Connect. = 0.741 for dens.mod. cycle 4 = 0.300, Contrast = 0.565, Connect. = 0.746 for dens.mod. cycle 5 = 0.300, Contrast = 0.569, Connect. = 0.749 for dens.mod. cycle 6 = 0.300, Contrast = 0.573, Connect. = 0.752 for dens.mod. cycle 7 = 0.300, Contrast = 0.575, Connect. = 0.754 for dens.mod. cycle 8 = 0.300, Contrast = 0.576, Connect. = 0.756 for dens.mod. cycle 9 = 0.300, Contrast = 0.577, Connect. = 0.757 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6879 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1159 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 23.049 2.124 0.309 0.882 0.950 0.600 CA 1.413 B: 21 23.880 2.102 0.536 0.893 0.950 0.800 CA 1.250 21 residues pruned to eliminate duplicates C: 21 24.533 2.202 0.056 0.883 1.000 0.800 CB 1.706 D: 20 20.378 2.172 0.158 0.900 1.000 0.789 CA 1.328 20 residues pruned to eliminate duplicates E: 19 40.221 2.264 0.612 0.914 1.000 0.889 CB 1.836 20 residues pruned to eliminate duplicates F: 21 33.192 2.277 0.401 0.906 1.000 0.850 CB 1.655 21 residues pruned to eliminate duplicates G: 20 30.785 2.273 0.385 0.853 1.000 0.632 CB 1.658 20 residues pruned to eliminate duplicates H: 28 18.734 2.114 0.468 0.437 0.889 0.519 CB 1.396 I: 21 28.306 2.208 0.436 0.870 0.950 0.750 CB 1.534 21 residues pruned to eliminate duplicates J: 17 27.325 2.131 0.581 0.867 1.000 0.688 CB 1.484 17 residues pruned to eliminate duplicates K: 20 26.164 2.208 0.209 0.879 0.947 0.579 CB 1.722 20 residues pruned to eliminate duplicates L: 18 11.622 1.992 0.194 0.458 0.882 0.706 CA 1.401 M: 19 30.828 2.380 0.306 0.847 0.944 0.722 CB 1.838 19 residues pruned to eliminate duplicates N: 20 20.742 2.089 0.386 0.568 1.000 0.684 CB 1.539 O: 20 40.045 2.344 0.754 0.925 0.947 0.684 CB 1.655 19 residues pruned to eliminate duplicates P: 26 17.968 2.206 0.557 0.296 0.840 0.440 CA 1.564 Q: 15 38.072 2.375 0.706 0.923 1.000 0.429 CB 1.765 15 residues pruned to eliminate duplicates R: 26 22.209 2.224 0.621 0.327 0.920 0.400 CB 1.619 26 residues pruned to eliminate duplicates S: 22 21.842 2.087 0.592 0.822 0.905 0.619 CA 1.200 22 residues pruned to eliminate duplicates T: 7 4.408 2.009 0.050 0.361 0.833 0.500 CB 1.189 7 residues pruned to eliminate duplicates U: 21 39.892 2.235 0.795 0.892 0.950 0.850 CB 1.681 21 residues pruned to eliminate duplicates V: 26 16.366 2.131 0.626 0.347 0.880 0.400 CB 1.267 26 residues pruned to eliminate duplicates W: 20 10.278 1.869 0.142 0.422 1.000 0.842 CA 1.198 X: 12 11.124 1.943 0.418 0.453 0.909 0.455 CB 1.405 Y: 13 17.241 2.065 0.389 0.680 1.000 0.833 CA 1.471 Z: 24 27.742 2.089 0.551 0.817 0.913 0.478 CB 1.485 24 residues pruned to eliminate duplicates Z: 22 31.944 2.188 0.485 0.902 1.000 0.810 CB 1.530 22 residues pruned to eliminate duplicates Z: 45 34.899 2.178 0.635 0.577 0.864 0.523 CA 1.588 36 residues pruned to eliminate duplicates Z: 19 14.871 1.964 0.436 0.827 0.833 0.500 CA 1.124 7 residues pruned to eliminate duplicates Z: 17 21.947 2.084 0.528 0.793 0.938 0.688 CB 1.420 17 residues pruned to eliminate duplicates Z: 15 32.063 2.232 0.874 0.923 1.000 0.857 CA 1.439 21 residues pruned to eliminate duplicates Z: 22 30.398 2.167 0.548 0.872 0.952 0.429 CB 1.514 22 residues pruned to eliminate duplicates Z: 22 21.935 2.047 0.573 0.842 0.810 0.571 CB 1.368 22 residues pruned to eliminate duplicates Z: 20 34.926 2.302 0.647 0.897 0.947 0.474 CB 1.597 20 residues pruned to eliminate duplicates Z: 21 30.658 2.248 0.584 0.846 0.850 0.450 CB 1.683 21 residues pruned to eliminate duplicates Z: 15 21.946 2.159 0.483 0.881 0.857 0.571 CB 1.548 15 residues pruned to eliminate duplicates Z: 11 9.479 2.073 0.106 0.832 0.800 0.700 CB 1.227 Z: 21 25.072 2.098 0.742 0.899 0.850 0.300 CB 1.289 14 residues pruned to eliminate duplicates Z: 13 11.954 2.077 -0.034 0.839 0.917 0.583 CB 1.401 8 residues pruned to eliminate duplicates Z: 17 10.247 1.939 0.088 0.537 0.812 0.562 CA 1.441 Z: 14 9.090 1.944 0.140 0.587 0.846 0.692 CB 1.237 Z: 12 21.751 2.088 0.530 0.835 1.000 0.727 CB 1.537 Z: 14 22.953 2.208 0.531 0.890 1.000 0.538 CB 1.355 14 residues pruned to eliminate duplicates Z: 17 26.114 2.269 0.505 0.888 0.938 0.688 CB 1.469 17 residues pruned to eliminate duplicates Z: 61 35.119 2.191 0.546 0.576 0.883 0.383 CB 1.407 56 residues pruned to eliminate duplicates Z: 19 27.242 2.284 0.220 0.871 0.944 0.778 CB 1.780 19 residues pruned to eliminate duplicates Z: 20 24.566 2.041 0.672 0.859 0.947 0.842 CA 1.282 20 residues pruned to eliminate duplicates Z: 13 16.000 2.217 0.610 0.826 0.667 0.250 CB 1.464 13 residues pruned to eliminate duplicates Z: 16 28.818 2.255 0.486 0.919 1.000 0.867 CB 1.565 16 residues pruned to eliminate duplicates Z: 10 14.376 2.027 0.426 0.562 0.889 0.778 CA 1.756 Z: 7 7.784 1.679 0.282 0.640 1.000 0.667 CA 1.296 7 residues pruned to eliminate duplicates Z: 8 3.498 1.758 0.260 0.265 0.571 0.286 CB 1.366 Z: 10 11.539 1.931 0.439 0.785 0.778 0.444 CA 1.385 Z: 10 15.184 2.166 0.260 0.884 0.889 0.778 CB 1.508 10 residues pruned to eliminate duplicates Z: 14 14.468 1.914 0.297 0.823 0.923 0.692 CA 1.324 12 residues pruned to eliminate duplicates Z: 6 8.706 1.953 0.395 0.839 1.000 1.000 CB 1.067 Z: 19 37.460 2.373 0.559 0.909 1.000 0.778 CB 1.694 19 residues pruned to eliminate duplicates Z: 29 16.084 2.112 0.364 0.381 0.857 0.643 CB 1.397 Z: 6 11.635 1.758 0.750 0.753 1.000 0.400 CA 1.350 Z: 17 25.516 2.134 0.347 0.895 1.000 0.812 CA 1.591 11 residues pruned to eliminate duplicates Z: 6 6.861 1.886 0.117 0.851 0.800 0.600 CA 1.347 6 residues pruned to eliminate duplicates Z: 22 31.611 2.018 0.704 0.873 0.952 0.667 CA 1.534 18 residues pruned to eliminate duplicates Z: 16 19.195 2.179 0.091 0.814 0.933 0.667 CB 1.700 16 residues pruned to eliminate duplicates Z: 20 35.370 2.308 0.628 0.916 0.947 0.632 CB 1.609 20 residues pruned to eliminate duplicates Z: 13 9.994 1.982 0.169 0.442 0.917 0.417 CA 1.442 Z: 11 9.798 1.888 0.379 0.851 0.700 0.600 CA 1.258 10 residues pruned to eliminate duplicates Z: 9 10.874 1.971 0.708 0.508 0.750 0.500 CA 1.511 Z: 9 14.647 1.917 0.802 0.701 0.875 0.750 CA 1.426 9 residues pruned to eliminate duplicates Z: 16 8.724 2.075 0.163 0.306 0.933 0.467 CA 1.241 16 residues pruned to eliminate duplicates Z: 19 13.780 2.172 0.427 0.364 0.833 0.444 CB 1.456 19 residues pruned to eliminate duplicates Z: 17 17.554 2.068 0.460 0.638 0.938 0.562 CA 1.361 17 residues pruned to eliminate duplicates Z: 14 5.664 1.702 0.292 0.248 0.769 0.385 CB 1.242 14 residues pruned to eliminate duplicates Z: 15 29.247 2.231 0.732 0.927 1.000 0.786 CA 1.417 15 residues pruned to eliminate duplicates Z: 22 17.930 2.015 0.386 0.518 0.905 0.619 CB 1.521 22 residues pruned to eliminate duplicates Z: 12 11.851 2.085 0.343 0.448 1.000 0.545 CB 1.346 12 residues pruned to eliminate duplicates Z: 21 22.855 2.120 0.336 0.888 1.000 0.850 CA 1.300 21 residues pruned to eliminate duplicates Z: 11 15.125 1.835 0.612 0.857 1.000 0.600 CA 1.192 11 residues pruned to eliminate duplicates Z: 13 13.121 2.083 0.283 0.566 0.917 0.667 CB 1.451 14 residues pruned to eliminate duplicates Z: 10 13.838 2.207 -0.046 0.856 1.000 0.778 CB 1.615 11 residues pruned to eliminate duplicates Z: 19 25.865 1.997 0.962 0.903 0.889 0.389 CA 1.249 16 residues pruned to eliminate duplicates Z: 11 17.037 2.016 0.244 0.857 1.000 0.900 CB 1.583 11 residues pruned to eliminate duplicates Z: 19 30.291 2.009 0.819 0.844 0.944 0.611 CA 1.539 19 residues pruned to eliminate duplicates Z: 31 26.505 2.086 0.603 0.490 0.967 0.433 CB 1.512 31 residues pruned to eliminate duplicates Z: 13 20.304 2.263 0.176 0.884 1.000 0.667 CB 1.591 13 residues pruned to eliminate duplicates Z: 21 39.061 2.250 0.707 0.919 1.000 0.400 CB 1.602 21 residues pruned to eliminate duplicates Z: 12 8.910 2.019 0.241 0.332 0.818 0.364 CB 1.576 12 residues pruned to eliminate duplicates Z: 8 5.738 1.753 0.454 0.342 0.857 0.571 CB 1.179 Z: 28 20.804 2.209 0.443 0.358 0.926 0.556 CB 1.582 26 residues pruned to eliminate duplicates Z: 19 20.242 2.098 0.357 0.553 1.000 0.778 CB 1.592 19 residues pruned to eliminate duplicates Z: 10 10.960 2.016 0.570 0.354 0.889 0.333 CA 1.521 Z: 15 9.258 1.952 0.157 0.898 0.857 0.643 CA 0.914 15 residues pruned to eliminate duplicates Z: 14 11.283 1.701 0.555 0.490 0.846 0.615 CB 1.413 Z: 8 3.115 1.652 0.300 0.205 0.714 0.571 N 1.089 Z: 18 20.848 1.857 0.382 0.872 0.941 0.765 CA 1.526 18 residues pruned to eliminate duplicates Z: 72 40.096 2.225 0.590 0.507 0.873 0.394 CB 1.530 58 residues pruned to eliminate duplicates Z: 8 3.785 1.781 0.680 0.349 0.571 0.429 CB 0.985 Z: 16 14.605 2.026 0.364 0.498 0.867 0.800 CA 1.578 18 residues pruned to eliminate duplicates Z: 10 12.132 1.982 0.445 0.550 0.889 0.667 CB 1.513 10 residues pruned to eliminate duplicates Z: 12 15.477 2.136 0.436 0.867 0.727 0.636 CB 1.531 12 residues pruned to eliminate duplicates Z: 7 3.758 1.769 0.209 0.543 0.667 0.333 CB 1.032 Z: 8 4.984 1.686 0.474 0.539 0.714 0.571 CA 1.022 Z: 18 17.574 2.019 0.938 0.865 0.706 0.412 CB 1.130 20 residues pruned to eliminate duplicates Z: 10 11.646 1.836 0.617 0.794 1.000 0.667 CA 1.011 10 residues pruned to eliminate duplicates Z: 13 13.354 1.848 1.133 0.406 0.750 0.417 CA 1.440 8 residues pruned to eliminate duplicates Z: 8 14.654 1.847 0.613 0.890 1.000 0.714 CA 1.338 8 residues pruned to eliminate duplicates Z: 6 4.830 1.933 0.100 0.464 1.000 0.400 CB 1.053 5 residues pruned to eliminate duplicates Z: 12 12.685 2.099 0.416 0.493 0.818 0.727 CB 1.583 12 residues pruned to eliminate duplicates Z: 17 18.520 2.140 0.391 0.538 0.938 0.688 CB 1.598 17 residues pruned to eliminate duplicates Z: 7 4.716 1.709 0.302 0.550 0.833 0.833 CB 0.988 7 residues pruned to eliminate duplicates Z: 15 15.279 1.937 0.495 0.906 0.929 0.714 CA 1.080 15 residues pruned to eliminate duplicates Z: 6 2.448 1.465 0.133 0.474 1.000 0.800 CB 0.677 Z: 17 6.506 2.032 0.050 0.363 0.688 0.500 CB 1.286 17 residues pruned to eliminate duplicates Z: 12 9.479 2.133 -0.057 0.613 0.909 0.636 CB 1.405 12 residues pruned to eliminate duplicates Z: 9 7.382 2.029 -0.032 0.552 0.875 0.500 CA 1.444 Z: 12 12.420 2.066 0.071 0.847 0.909 0.545 CB 1.381 12 residues pruned to eliminate duplicates Z: 11 12.103 2.094 0.203 0.582 1.000 0.700 CA 1.403 11 residues pruned to eliminate duplicates Z: 29 21.700 2.134 0.584 0.344 0.964 0.393 CB 1.491 29 residues pruned to eliminate duplicates Z: 9 10.642 1.968 0.476 0.442 0.875 0.375 CB 1.571 10 residues pruned to eliminate duplicates Z: 12 15.144 2.009 0.346 0.815 1.000 0.545 CA 1.284 12 residues pruned to eliminate duplicates Z: 8 6.408 1.851 0.255 0.527 1.000 0.714 CA 1.015 8 residues pruned to eliminate duplicates Z: 21 15.364 1.926 0.280 0.874 0.900 0.650 CA 1.127 21 residues pruned to eliminate duplicates Z: 9 2.951 1.381 0.353 0.483 0.750 0.375 N 0.758 9 residues pruned to eliminate duplicates Z: 11 14.733 2.278 0.408 0.372 1.000 0.600 CB 1.665 11 residues pruned to eliminate duplicates Z: 7 4.540 1.634 0.083 0.593 1.000 0.500 N 0.958 5 residues pruned to eliminate duplicates Z: 21 18.789 2.004 0.440 0.512 0.950 0.600 CB 1.515 21 residues pruned to eliminate duplicates Z: 10 9.455 1.873 0.402 0.629 0.778 0.667 CA 1.366 10 residues pruned to eliminate duplicates Z: 9 8.749 1.945 0.187 0.845 1.000 0.625 CB 0.996 9 residues pruned to eliminate duplicates Z: 37 30.529 2.005 0.514 0.647 0.972 0.722 CA 1.503 22 residues pruned to eliminate duplicates Z: 12 10.661 1.845 0.483 0.514 0.909 0.545 CA 1.274 12 residues pruned to eliminate duplicates Z: 12 13.761 2.153 0.066 0.561 1.000 0.636 CA 1.704 12 residues pruned to eliminate duplicates Z: 10 5.750 1.893 0.285 0.291 0.778 0.556 CA 1.281 10 residues pruned to eliminate duplicates Z: 11 13.575 2.113 0.193 0.862 0.900 0.700 CB 1.389 11 residues pruned to eliminate duplicates Z: 10 12.704 2.278 0.200 0.808 0.778 0.444 CB 1.523 10 residues pruned to eliminate duplicates Z: 12 12.607 1.952 0.389 0.628 0.818 0.636 N 1.519 14 residues pruned to eliminate duplicates Z: 9 13.811 1.835 0.392 0.885 0.875 0.375 CA 1.578 9 residues pruned to eliminate duplicates Z: 14 10.053 1.903 0.381 0.532 1.000 0.769 CA 1.028 14 residues pruned to eliminate duplicates Z: 17 11.272 2.025 0.086 0.465 0.875 0.688 CB 1.517 17 residues pruned to eliminate duplicates Z: 6 4.042 1.504 0.499 0.591 0.800 0.800 CB 0.919 Z: 6 6.980 1.732 0.533 0.604 0.800 0.600 CA 1.331 Z: 11 8.197 2.033 0.158 0.408 0.800 0.500 CB 1.514 8 residues pruned to eliminate duplicates Z: 10 12.191 2.160 -0.074 0.855 0.889 0.778 CA 1.687 10 residues pruned to eliminate duplicates Z: 18 14.222 1.976 0.414 0.498 0.882 0.529 CA 1.402 16 residues pruned to eliminate duplicates Z: 22 26.230 2.078 0.599 0.875 0.905 0.571 CA 1.385 22 residues pruned to eliminate duplicates Z: 10 6.093 1.834 0.293 0.433 0.889 0.444 CB 1.033 10 residues pruned to eliminate duplicates Z: 7 4.029 1.692 0.287 0.405 0.667 0.667 N 1.253 7 residues pruned to eliminate duplicates Z: 9 4.009 1.929 -0.089 0.281 0.750 0.375 CA 1.377 9 residues pruned to eliminate duplicates Z: 22 24.157 2.106 0.539 0.853 0.905 0.571 CA 1.329 22 residues pruned to eliminate duplicates Z: 24 10.108 1.777 0.488 0.392 0.696 0.304 CB 1.284 8 residues pruned to eliminate duplicates Z: 42 22.374 2.116 0.366 0.432 0.878 0.488 CB 1.477 63 residues pruned to eliminate duplicates Z: 19 11.139 1.766 0.383 0.373 0.833 0.444 C 1.477 29 residues pruned to eliminate duplicates Z: 8 4.270 1.810 0.121 0.494 0.857 0.714 CA 0.934 8 residues pruned to eliminate duplicates Z: 8 7.222 1.837 0.244 0.569 0.857 0.429 CB 1.304 7 residues pruned to eliminate duplicates Z: 19 13.430 1.856 0.256 0.504 1.000 0.667 CB 1.352 12 residues pruned to eliminate duplicates Z: 8 7.663 1.831 0.120 0.623 1.000 0.857 CA 1.257 8 residues pruned to eliminate duplicates Z: 21 37.267 2.022 0.836 0.908 0.950 0.400 CB 1.678 28 residues pruned to eliminate duplicates Z: 9 10.414 1.838 0.810 0.504 0.875 0.625 CA 1.259 9 residues pruned to eliminate duplicates Z: 10 10.286 1.533 0.646 0.868 1.000 0.444 CA 0.993 10 residues pruned to eliminate duplicates Z: 6 4.980 1.877 0.224 0.583 0.600 0.400 CA 1.492 6 residues pruned to eliminate duplicates Z: 10 4.154 1.796 0.221 0.279 0.889 0.444 CB 0.911 Z: 10 3.349 1.657 0.203 0.295 0.667 0.333 CB 1.057 10 residues pruned to eliminate duplicates Z: 20 22.487 2.140 0.612 0.887 0.789 0.368 CA 1.366 20 residues pruned to eliminate duplicates Z: 11 14.769 1.850 0.607 0.876 1.000 0.600 CA 1.142 11 residues pruned to eliminate duplicates Z: 10 15.131 2.186 0.285 0.574 1.000 0.556 CB 1.671 11 residues pruned to eliminate duplicates Z: 23 12.209 1.880 0.381 0.349 0.864 0.455 CA 1.367 25 residues pruned to eliminate duplicates Z: 28 20.551 2.159 0.497 0.391 0.926 0.519 CA 1.484 28 residues pruned to eliminate duplicates Z: 9 16.807 1.985 0.820 0.756 1.000 0.500 CB 1.309 9 residues pruned to eliminate duplicates Z: 7 10.368 1.787 0.716 0.805 1.000 0.833 CA 1.058 7 residues pruned to eliminate duplicates Z: 18 22.143 1.840 0.481 0.852 1.000 0.647 CA 1.458 18 residues pruned to eliminate duplicates Z: 72 42.444 2.174 0.633 0.550 0.930 0.408 CB 1.453 78 residues pruned to eliminate duplicates Z: 18 18.432 2.087 0.458 0.563 1.000 0.765 CB 1.381 18 residues pruned to eliminate duplicates Z: 16 9.276 2.000 0.155 0.335 0.933 0.400 CB 1.331 16 residues pruned to eliminate duplicates Z: 27 13.766 1.958 0.309 0.426 0.885 0.500 CB 1.285 24 residues pruned to eliminate duplicates Z: 19 41.670 2.338 0.997 0.904 0.944 0.278 CB 1.586 19 residues pruned to eliminate duplicates Z: 32 21.774 1.997 0.458 0.687 0.968 0.742 CA 1.170 32 residues pruned to eliminate duplicates Z: 36 16.547 1.935 0.212 0.491 0.971 0.629 CB 1.239 35 residues pruned to eliminate duplicates Z: 25 14.377 1.819 0.463 0.389 1.000 0.500 CA 1.241 25 residues pruned to eliminate duplicates Z: 20 14.735 2.090 0.284 0.404 0.947 0.474 CB 1.471 20 residues pruned to eliminate duplicates Z: 12 18.962 2.183 0.292 0.905 1.000 0.818 CA 1.443 12 residues pruned to eliminate duplicates Z: 7 6.084 1.331 0.683 0.720 1.000 0.500 CA 0.909 Z: 8 15.822 2.141 0.426 0.819 0.857 0.714 CB 1.733 8 residues pruned to eliminate duplicates Z: 21 6.503 1.530 0.318 0.418 0.750 0.250 CB 1.046 13 residues pruned to eliminate duplicates Z: 22 15.348 1.949 0.534 0.543 0.905 0.619 CB 1.187 22 residues pruned to eliminate duplicates Z: 19 11.669 2.094 0.332 0.345 0.889 0.667 CB 1.312 19 residues pruned to eliminate duplicates Z: 10 13.072 2.221 0.169 0.791 0.889 0.778 CB 1.462 10 residues pruned to eliminate duplicates Z: 23 32.356 2.043 0.549 0.883 1.000 0.773 CA 1.577 23 residues pruned to eliminate duplicates Z: 12 8.881 1.632 0.918 0.655 1.000 0.727 CB 0.740 Z: 7 8.389 1.913 0.178 0.559 1.000 0.833 CB 1.436 7 residues pruned to eliminate duplicates Z: 21 18.818 2.022 0.525 0.506 0.950 0.600 CB 1.428 21 residues pruned to eliminate duplicates Z: 21 18.904 1.954 0.334 0.904 0.950 0.700 CA 1.216 21 residues pruned to eliminate duplicates Z: 6 4.345 1.503 0.177 0.704 1.000 0.600 N 0.912 Z: 10 13.828 2.062 0.328 0.598 1.000 0.667 CA 1.533 10 residues pruned to eliminate duplicates Z: 18 5.395 1.543 0.196 0.341 0.882 0.471 CB 0.955 Z: 19 14.354 1.950 0.607 0.429 0.722 0.500 CB 1.610 19 residues pruned to eliminate duplicates Z: 13 15.274 2.013 0.239 0.866 1.000 0.667 CB 1.294 13 residues pruned to eliminate duplicates Z: 7 4.807 1.522 0.422 0.544 0.833 0.833 CB 1.043 Z: 39 26.043 2.082 0.629 0.484 0.868 0.421 CB 1.458 39 residues pruned to eliminate duplicates Z: 6 10.817 1.852 0.770 0.706 0.800 0.800 CA 1.529 Z: 10 2.692 1.432 0.262 0.187 0.667 0.333 N 1.084 Z: 12 8.598 1.940 0.036 0.663 1.000 0.909 CA 1.109 12 residues pruned to eliminate duplicates Z: 11 10.449 1.821 0.524 0.520 0.900 0.500 CB 1.297 11 residues pruned to eliminate duplicates Z: 6 5.396 1.450 0.632 0.425 1.000 0.400 CA 1.102 Z: 18 12.609 1.968 0.414 0.533 0.882 0.588 CA 1.205 18 residues pruned to eliminate duplicates Z: 14 16.371 2.026 0.412 0.646 1.000 0.692 CA 1.385 13 residues pruned to eliminate duplicates Z: 8 6.081 1.620 0.886 0.421 0.714 0.571 CB 1.143 Z: 20 20.470 2.014 0.706 0.926 0.895 0.737 CA 1.071 20 residues pruned to eliminate duplicates Z: 16 11.132 1.849 0.517 0.433 1.000 0.533 CB 1.098 14 residues pruned to eliminate duplicates Z: 18 11.081 2.014 0.139 0.404 0.882 0.529 CB 1.469 18 residues pruned to eliminate duplicates Z: 11 7.232 1.816 0.235 0.542 0.800 0.400 CA 1.223 11 residues pruned to eliminate duplicates Z: 12 8.777 1.767 0.420 0.593 0.818 0.364 CA 1.179 12 residues pruned to eliminate duplicates Z: 24 10.300 1.866 0.259 0.359 0.826 0.435 CB 1.289 24 residues pruned to eliminate duplicates Z: 17 15.979 2.047 0.435 0.448 0.938 0.625 CA 1.530 15 residues pruned to eliminate duplicates Z: 55 24.116 2.127 0.423 0.339 0.833 0.537 CB 1.550 56 residues pruned to eliminate duplicates Z: 11 10.707 2.000 0.447 0.528 0.900 0.500 CB 1.264 11 residues pruned to eliminate duplicates Z: 16 10.130 1.919 0.319 0.365 0.867 0.333 CA 1.379 16 residues pruned to eliminate duplicates Z: 21 23.668 1.954 0.799 0.902 0.900 0.450 CA 1.193 21 residues pruned to eliminate duplicates Z: 9 4.658 1.902 0.144 0.472 0.875 0.500 CB 0.889 Z: 13 11.062 2.054 0.058 0.449 0.917 0.667 CB 1.690 13 residues pruned to eliminate duplicates Z: 10 14.116 2.227 0.204 0.804 1.000 0.556 CB 1.346 10 residues pruned to eliminate duplicates Z: 10 13.108 2.091 0.510 0.601 0.889 0.778 CA 1.413 12 residues pruned to eliminate duplicates Z: 10 2.945 1.268 0.229 0.282 0.889 0.333 CB 0.906 Z: 27 13.245 1.874 0.235 0.540 0.885 0.500 CB 1.220 27 residues pruned to eliminate duplicates Z: 11 7.054 2.146 0.146 0.382 0.600 0.600 CA 1.713 11 residues pruned to eliminate duplicates Z: 22 26.982 2.179 0.618 0.865 0.810 0.333 CB 1.511 22 residues pruned to eliminate duplicates Z: 10 11.048 2.273 0.070 0.810 0.778 0.556 CB 1.485 10 residues pruned to eliminate duplicates Z: 40 26.776 2.048 0.623 0.459 0.923 0.487 CB 1.457 41 residues pruned to eliminate duplicates Z: 10 4.470 1.621 0.161 0.293 0.889 0.444 CA 1.123 11 residues pruned to eliminate duplicates Z: 6 5.221 1.656 0.860 0.598 1.000 0.400 CA 0.690 Z: 6 5.560 1.821 0.583 0.556 0.600 0.600 CA 1.361 6 residues pruned to eliminate duplicates Z: 24 23.981 1.897 0.456 0.881 0.957 0.826 CA 1.371 24 residues pruned to eliminate duplicates Z: 9 9.595 2.034 0.173 0.736 0.875 0.500 CB 1.314 9 residues pruned to eliminate duplicates Z: 14 9.708 1.864 0.234 0.546 0.923 0.769 CA 1.212 14 residues pruned to eliminate duplicates Z: 6 2.592 1.731 0.167 0.369 0.600 0.400 CB 1.101 Z: 11 12.720 1.704 0.740 0.770 0.800 0.700 CA 1.334 11 residues pruned to eliminate duplicates Z: 19 10.987 2.122 0.263 0.381 0.778 0.389 CB 1.410 19 residues pruned to eliminate duplicates Z: 20 23.780 1.972 0.589 0.863 0.947 0.789 CA 1.348 20 residues pruned to eliminate duplicates Z: 6 3.498 1.649 0.664 0.440 0.800 0.400 CB 0.757 Z: 19 15.630 1.943 0.571 0.530 0.889 0.667 CB 1.318 19 residues pruned to eliminate duplicates Z: 19 18.769 1.999 0.365 0.867 1.000 0.778 CA 1.186 19 residues pruned to eliminate duplicates Z: 29 15.759 2.182 0.218 0.453 0.857 0.393 CB 1.372 29 residues pruned to eliminate duplicates Z: 16 12.075 1.906 0.233 0.577 1.000 0.533 CB 1.231 16 residues pruned to eliminate duplicates Z: 22 19.355 1.770 0.628 0.830 0.952 0.667 CA 1.157 22 residues pruned to eliminate duplicates Z: 12 11.801 1.791 0.581 0.792 0.818 0.636 CA 1.189 12 residues pruned to eliminate duplicates Z: 21 25.043 1.950 0.776 0.909 0.750 0.550 N 1.529 21 residues pruned to eliminate duplicates Z: 10 4.425 1.521 0.470 0.268 0.778 0.556 N 1.105 Z: 19 12.468 1.862 0.438 0.575 0.833 0.500 CA 1.225 19 residues pruned to eliminate duplicates Z: 22 31.598 2.161 0.713 0.907 0.905 0.381 CB 1.463 22 residues pruned to eliminate duplicates Z: 34 17.762 2.167 0.257 0.319 0.879 0.485 CA 1.577 34 residues pruned to eliminate duplicates Z: 8 5.302 1.405 0.321 0.721 0.857 0.429 CB 1.032 Z: 20 19.688 1.975 0.541 0.780 0.947 0.684 CA 1.224 20 residues pruned to eliminate duplicates Z: 17 12.572 2.053 0.346 0.458 0.875 0.750 CB 1.357 17 residues pruned to eliminate duplicates Z: 12 6.846 1.616 0.422 0.301 1.000 0.545 CB 1.121 Z: 18 8.554 2.008 0.311 0.414 0.647 0.529 CB 1.332 18 residues pruned to eliminate duplicates Z: 8 11.516 1.729 0.440 0.839 1.000 0.857 CA 1.305 8 residues pruned to eliminate duplicates Z: 11 12.185 2.205 0.334 0.502 0.900 0.600 CA 1.453 11 residues pruned to eliminate duplicates Z: 7 4.886 1.379 0.493 0.474 1.000 0.667 N 0.994 Z: 13 13.640 2.134 0.370 0.586 0.833 0.833 CB 1.488 12 residues pruned to eliminate duplicates Z: 23 28.490 1.963 0.506 0.895 1.000 0.773 CA 1.473 23 residues pruned to eliminate duplicates Z: 11 6.415 1.926 0.177 0.340 0.700 0.400 CB 1.522 11 residues pruned to eliminate duplicates Z: 10 9.310 1.929 0.527 0.348 0.889 0.444 CB 1.397 10 residues pruned to eliminate duplicates Z: 7 3.638 1.569 0.222 0.465 0.833 0.333 CB 0.963 Z: 7 6.265 1.950 -0.071 0.398 1.000 0.333 N 1.571 7 residues pruned to eliminate duplicates Z: 9 9.961 2.035 0.143 0.480 0.875 0.625 CA 1.766 Z: 7 2.994 1.334 0.318 0.546 0.833 0.500 N 0.797 Z: 15 4.782 1.541 0.329 0.372 0.714 0.357 CB 1.002 11 residues pruned to eliminate duplicates 6 1.526 1.509 0.091 0.442 0.400 0.400 N 1.100 ? Z: 6 7.133 1.509 0.684 0.728 1.000 0.800 CB 1.022 7 residues pruned to eliminate duplicates Z: 10 15.533 2.023 0.537 0.543 1.000 0.667 C 1.597 10 residues pruned to eliminate duplicates Z: 24 17.381 2.016 0.238 0.540 1.000 0.652 CA 1.395 24 residues pruned to eliminate duplicates Z: 20 19.766 2.032 0.601 0.864 0.842 0.579 CA 1.213 20 residues pruned to eliminate duplicates Z: 15 11.853 1.980 0.311 0.537 0.929 0.643 CA 1.267 15 residues pruned to eliminate duplicates Z: 6 3.254 1.459 0.392 0.345 1.000 0.600 C 0.848 Z: 9 8.970 1.497 0.739 0.794 0.875 0.500 CA 1.076 6 1.359 1.366 0.311 0.411 0.800 0.400 CB 0.466 ? Z: 21 14.454 2.036 0.397 0.325 0.850 0.500 CB 1.621 21 residues pruned to eliminate duplicates Z: 17 18.389 2.034 0.628 0.570 0.938 0.375 CB 1.384 23 residues pruned to eliminate duplicates Z: 12 9.845 1.895 0.299 0.430 0.818 0.455 C 1.585 12 residues pruned to eliminate duplicates Z: 6 5.534 1.650 0.835 0.624 0.800 0.600 CB 0.908 8 1.762 1.128 0.332 0.313 0.857 0.429 O 0.636 ? Z: 7 3.516 1.587 0.123 0.447 0.833 0.500 CB 1.021 7 residues pruned to eliminate duplicates Z: 8 3.762 1.449 0.438 0.372 0.714 0.429 CB 1.096 8 residues pruned to eliminate duplicates Z: 16 10.738 2.034 0.321 0.276 0.867 0.333 CB 1.534 21 residues pruned to eliminate duplicates Z: 22 13.670 1.960 0.281 0.485 0.857 0.571 CA 1.407 22 residues pruned to eliminate duplicates Z: 6 4.912 1.365 0.880 0.447 0.800 0.400 O 1.130 Z: 7 3.039 1.772 -0.044 0.437 0.833 0.500 CB 0.938 Z: 24 22.299 2.266 0.534 0.376 0.913 0.565 CB 1.672 24 residues pruned to eliminate duplicates Z: 21 39.797 2.310 1.040 0.904 0.850 0.300 CB 1.583 21 residues pruned to eliminate duplicates Z: 43 18.761 2.113 0.280 0.348 0.833 0.571 CB 1.515 43 residues pruned to eliminate duplicates Z: 14 5.262 1.511 0.379 0.340 0.769 0.538 CB 1.084 Z: 7 7.910 1.865 -0.076 0.641 1.000 0.333 C 1.643 Z: 7 3.205 1.346 0.778 0.651 0.833 0.667 CB 0.570 Z: 22 30.689 1.959 0.808 0.906 0.952 0.810 CB 1.412 22 residues pruned to eliminate duplicates Z: 14 10.824 2.000 0.154 0.693 0.923 0.692 CA 1.182 14 residues pruned to eliminate duplicates Z: 6 3.420 1.484 -0.004 0.450 1.000 0.600 N 1.089 Z: 6 4.130 1.632 0.599 0.404 0.600 0.600 CA 1.304 6 residues pruned to eliminate duplicates Z: 11 11.748 1.943 0.122 0.689 1.000 0.700 CB 1.434 11 residues pruned to eliminate duplicates Z: 13 11.826 1.874 0.659 0.576 0.917 0.667 CB 1.114 13 residues pruned to eliminate duplicates Z: 12 16.525 2.162 0.190 0.650 1.000 0.909 CB 1.685 13 residues pruned to eliminate duplicates Z: 7 2.222 1.510 0.217 0.246 1.000 0.333 CB 0.662 7 residues pruned to eliminate duplicates Z: 17 28.810 2.117 0.638 0.909 0.938 0.812 CB 1.573 17 residues pruned to eliminate duplicates Z: 10 5.278 1.613 0.347 0.434 0.778 0.444 CB 1.115 Z: 11 7.618 1.973 0.357 0.348 0.900 0.500 CB 1.179 11 residues pruned to eliminate duplicates Z: 29 29.554 2.222 0.570 0.594 0.857 0.429 CB 1.709 29 residues pruned to eliminate duplicates Z: 10 8.775 1.900 0.307 0.450 1.000 0.444 CA 1.240 10 residues pruned to eliminate duplicates Z: 20 16.496 2.025 0.542 0.557 0.842 0.632 CA 1.362 20 residues pruned to eliminate duplicates Z: 7 4.729 1.755 0.128 0.291 0.833 0.333 CB 1.478 Z: 13 11.538 1.883 0.490 0.481 0.750 0.333 CA 1.614 9 residues pruned to eliminate duplicates Z: 13 17.067 1.971 0.228 0.834 1.000 0.667 CA 1.525 17 residues pruned to eliminate duplicates Z: 21 34.138 2.199 0.820 0.867 0.900 0.450 CB 1.550 21 residues pruned to eliminate duplicates 7 1.858 1.455 -0.081 0.560 0.667 0.333 CA 0.803 ? Z: 12 14.064 1.957 0.546 0.569 0.909 0.545 CB 1.442 12 residues pruned to eliminate duplicates Z: 27 11.777 1.887 0.329 0.389 0.808 0.538 CB 1.283 25 residues pruned to eliminate duplicates Z: 9 11.930 1.958 0.667 0.595 0.875 0.625 CA 1.348 9 residues pruned to eliminate duplicates Z: 28 16.083 2.079 0.369 0.366 0.889 0.444 CB 1.412 28 residues pruned to eliminate duplicates 6 1.831 1.346 -0.099 0.495 0.800 0.600 CB 0.848 ? Z: 11 3.717 1.627 -0.092 0.340 0.900 0.500 CB 1.052 8 residues pruned to eliminate duplicates Z: 11 10.120 1.910 0.423 0.503 0.900 0.400 CA 1.305 14 residues pruned to eliminate duplicates Z: 56 24.629 2.134 0.408 0.326 0.873 0.382 CB 1.533 56 residues pruned to eliminate duplicates Z: 6 8.171 1.609 1.039 0.732 1.000 1.000 CB 0.904 Z: 20 23.351 2.040 0.519 0.892 0.947 0.684 CA 1.311 20 residues pruned to eliminate duplicates Z: 18 12.950 1.938 0.426 0.506 0.765 0.471 CB 1.478 18 residues pruned to eliminate duplicates Z: 15 2.875 1.299 0.516 0.149 0.643 0.429 CB 0.935 Z: 6 4.438 1.681 0.340 0.549 1.000 0.800 CA 0.840 6 residues pruned to eliminate duplicates Z: 12 8.437 1.825 -0.001 0.559 0.909 0.545 O 1.449 12 residues pruned to eliminate duplicates Z: 10 8.067 1.643 0.278 0.669 0.889 0.889 CB 1.231 5 residues pruned to eliminate duplicates Z: 7 5.362 1.532 0.348 0.717 0.833 0.667 N 1.045 6 residues pruned to eliminate duplicates Z: 14 14.100 2.044 0.411 0.458 0.923 0.385 N 1.534 14 residues pruned to eliminate duplicates Z: 7 2.070 1.564 0.034 0.271 0.667 0.667 N 1.017 Z: 11 6.036 1.589 0.039 0.462 0.900 0.500 N 1.335 7 residues pruned to eliminate duplicates Z: 8 13.283 2.072 0.435 0.735 1.000 0.857 CA 1.367 15 residues pruned to eliminate duplicates Z: 17 13.523 2.098 0.292 0.471 0.938 0.688 CB 1.370 17 residues pruned to eliminate duplicates Z: 32 15.751 2.040 0.324 0.384 0.806 0.548 CB 1.470 32 residues pruned to eliminate duplicates Z: 35 18.359 1.993 0.391 0.416 0.912 0.559 CB 1.359 35 residues pruned to eliminate duplicates Z: 22 10.599 1.764 0.338 0.350 0.810 0.381 CB 1.423 22 residues pruned to eliminate duplicates Z: 7 3.794 1.497 0.188 0.540 0.833 0.667 C 1.005 Z: 6 2.854 1.796 -0.004 0.655 1.000 0.800 N 0.617 6 residues pruned to eliminate duplicates Z: 22 23.193 2.000 0.325 0.870 1.000 0.714 CA 1.394 22 residues pruned to eliminate duplicates Z: 16 9.621 1.953 0.163 0.404 0.800 0.600 CB 1.513 13 residues pruned to eliminate duplicates Z: 15 10.860 1.763 0.463 0.877 0.786 0.500 CA 1.040 15 residues pruned to eliminate duplicates Z: 14 2.953 1.416 0.755 0.261 0.615 0.308 CB 0.704 14 residues pruned to eliminate duplicates Z: 15 6.885 1.611 0.353 0.411 0.786 0.571 CB 1.179 15 residues pruned to eliminate duplicates Z: 8 2.301 1.619 0.162 0.489 0.571 0.429 CB 0.818 Z: 6 13.525 1.733 0.788 0.841 1.000 0.800 N 1.456 6 residues pruned to eliminate duplicates Z: 12 7.991 1.847 0.294 0.422 0.818 0.364 CB 1.337 12 residues pruned to eliminate duplicates Z: 6 2.131 1.543 -0.285 0.442 0.800 0.800 CB 1.145 Z: 9 2.893 1.478 0.235 0.292 0.875 0.500 CB 0.808 Z: 8 3.332 1.541 0.135 0.346 0.714 0.571 CA 1.191 8 residues pruned to eliminate duplicates Z: 6 4.293 1.622 0.006 0.496 1.000 0.800 O 1.181 Z: 17 11.080 2.015 0.124 0.429 0.875 0.562 CA 1.505 17 residues pruned to eliminate duplicates Z: 7 12.383 1.764 0.507 0.809 1.000 0.500 CA 1.452 Z: 9 3.885 1.455 0.250 0.418 0.875 0.500 CA 0.940 Z: 8 4.258 1.562 0.251 0.253 0.857 0.714 CB 1.275 Z: 6 3.299 1.254 0.202 0.810 1.000 1.000 CA 0.747 Z: 6 4.031 1.372 0.626 0.486 0.800 0.600 CB 1.025 Z: 6 4.857 1.601 0.380 0.500 0.800 0.600 CA 1.230 6 residues pruned to eliminate duplicates Z: 7 2.081 1.380 -0.149 0.406 0.833 0.333 C 0.958 7 residues pruned to eliminate duplicates Z: 13 21.478 2.266 0.412 0.855 1.000 0.750 CB 1.431 13 residues pruned to eliminate duplicates Z: 9 4.525 1.562 0.187 0.499 0.750 0.375 CA 1.151 7 residues pruned to eliminate duplicates Z: 23 19.632 2.016 0.423 0.558 0.909 0.545 CB 1.517 23 residues pruned to eliminate duplicates Z: 6 3.704 1.442 0.794 0.411 0.800 0.200 CB 0.878 Z: 11 3.170 1.375 0.594 0.207 0.600 0.400 N 1.079 Z: 26 17.367 1.988 0.243 0.552 0.920 0.720 CB 1.452 26 residues pruned to eliminate duplicates Z: 10 4.053 1.669 0.014 0.439 0.778 0.556 CB 1.094 6 residues pruned to eliminate duplicates Z: 11 4.188 1.538 0.323 0.418 0.800 0.500 CB 0.886 11 residues pruned to eliminate duplicates Z: 34 20.803 2.198 0.371 0.539 0.848 0.576 CB 1.364 34 residues pruned to eliminate duplicates Z: 8 3.454 1.394 0.635 0.458 0.571 0.429 N 1.046 Z: 7 7.383 1.569 0.372 0.786 0.833 0.500 CA 1.306 7 residues pruned to eliminate duplicates Z: 7 4.960 1.438 0.304 0.629 0.833 0.667 CA 1.147 7 residues pruned to eliminate duplicates Z: 6 4.006 1.280 0.615 0.753 1.000 0.600 CA 0.692 Z: 28 20.488 2.197 0.418 0.363 0.926 0.481 CA 1.585 40 residues pruned to eliminate duplicates Z: 6 2.325 1.504 0.277 0.297 1.000 0.600 N 0.680 7 1.170 0.958 0.497 0.606 0.667 0.500 N 0.452 ? Z: 15 15.049 2.066 0.526 0.514 0.929 0.714 CA 1.355 14 residues pruned to eliminate duplicates Z: 10 14.352 1.986 0.409 0.921 1.000 1.000 CA 1.203 10 residues pruned to eliminate duplicates Z: 11 8.592 2.017 0.300 0.279 0.900 0.500 CB 1.479 11 residues pruned to eliminate duplicates Z: 6 3.449 1.574 0.381 0.298 1.000 0.800 C 0.889 Z: 11 5.972 1.776 0.371 0.411 0.900 0.500 CB 0.947 11 residues pruned to eliminate duplicates Z: 16 26.398 2.201 0.787 0.903 0.933 0.733 CB 1.324 16 residues pruned to eliminate duplicates Z: 6 2.937 1.473 0.214 0.490 0.800 0.800 CB 0.927 Z: 12 14.660 1.878 0.437 0.638 1.000 0.636 CA 1.440 16 residues pruned to eliminate duplicates Z: 16 13.185 2.002 0.373 0.494 0.867 0.533 CA 1.438 16 residues pruned to eliminate duplicates Z: 11 9.666 1.813 0.632 0.522 0.800 0.500 CB 1.264 11 residues pruned to eliminate duplicates Z: 7 8.687 1.820 0.557 0.658 0.833 0.500 CB 1.297 7 residues pruned to eliminate duplicates 7 1.970 1.758 0.014 0.083 0.667 0.333 CA 1.160 ? 6 1.721 1.307 0.023 0.459 0.800 0.600 N 0.750 ? Z: 12 7.014 1.612 0.214 0.478 0.909 0.455 CB 1.215 12 residues pruned to eliminate duplicates Z: 7 4.489 1.533 0.257 0.745 0.833 0.333 CB 0.917 7 residues pruned to eliminate duplicates Z: 6 4.333 1.842 0.732 0.294 0.600 0.400 CA 1.275 6 residues pruned to eliminate duplicates Z: 12 6.829 1.553 0.558 0.447 0.818 0.636 CB 1.099 Z: 12 5.423 1.617 0.182 0.473 0.909 0.727 CB 0.967 12 residues pruned to eliminate duplicates Z: 50 23.231 2.146 0.347 0.345 0.898 0.469 CA 1.514 50 residues pruned to eliminate duplicates Z: 7 5.655 1.749 0.430 0.677 1.000 1.000 N 0.784 6 1.055 1.374 -0.044 0.289 0.600 0.200 N 0.758 ? Z: 10 7.185 1.742 0.427 0.428 1.000 0.333 CA 1.038 9 residues pruned to eliminate duplicates Z: 11 6.119 1.729 0.313 0.384 0.900 0.400 CB 1.072 7 residues pruned to eliminate duplicates Z: 7 6.822 1.494 0.124 0.836 1.000 0.667 C 1.241 8 residues pruned to eliminate duplicates 6 0.911 1.573 0.162 0.100 0.600 0.400 CB 0.620 ? Z: 6 2.051 1.464 0.224 0.382 0.600 0.400 CA 0.967 Z: 8 2.969 1.723 -0.279 0.451 1.000 0.571 CA 0.950 6 residues pruned to eliminate duplicates Z: 6 2.237 1.736 0.068 0.380 0.800 0.600 CB 0.766 Z: 17 14.916 2.038 0.408 0.443 0.875 0.438 CB 1.575 17 residues pruned to eliminate duplicates 8 1.773 1.335 0.076 0.254 0.714 0.286 CA 0.866 ? Z: 8 8.950 1.906 0.542 0.485 0.857 0.714 CB 1.363 8 residues pruned to eliminate duplicates Z: 9 3.192 1.310 0.597 0.416 0.750 0.250 N 0.785 Z: 9 4.981 1.799 0.129 0.254 0.875 0.375 CB 1.315 14 residues pruned to eliminate duplicates Z: 21 16.952 1.899 0.710 0.831 0.850 0.550 CA 1.032 21 residues pruned to eliminate duplicates Z: 27 18.342 2.157 0.351 0.415 0.923 0.615 CA 1.462 27 residues pruned to eliminate duplicates Z: 16 21.892 1.958 1.033 0.827 0.933 0.533 CA 1.146 16 residues pruned to eliminate duplicates Z: 23 33.902 2.024 0.763 0.897 1.000 0.727 CA 1.449 23 residues pruned to eliminate duplicates Z: 15 11.900 2.095 0.182 0.501 0.857 0.786 CA 1.497 15 residues pruned to eliminate duplicates 6 1.916 1.009 0.469 0.690 0.800 0.800 O 0.607 ? Z: 9 2.453 1.384 0.149 0.312 0.750 0.375 N 0.896 Z: 6 2.387 1.309 0.645 0.284 0.800 0.600 CB 0.791 Z: 9 4.095 1.316 0.476 0.394 0.750 0.500 C 1.111 Z: 8 6.730 1.667 0.213 0.470 1.000 0.571 C 1.297 Z: 8 3.205 1.463 0.058 0.419 0.857 0.429 CB 0.994 Z: 9 6.223 2.000 0.070 0.340 0.875 0.375 N 1.399 9 residues pruned to eliminate duplicates Z: 11 12.769 2.149 0.199 0.846 0.800 0.400 CB 1.456 11 residues pruned to eliminate duplicates Z: 8 11.756 2.099 0.262 0.712 1.000 0.857 CA 1.384 8 residues pruned to eliminate duplicates Z: 33 33.001 2.147 0.693 0.674 0.938 0.562 CB 1.458 33 residues pruned to eliminate duplicates Z: 12 12.018 1.979 0.553 0.521 0.818 0.636 CA 1.411 12 residues pruned to eliminate duplicates Z: 6 2.243 1.460 -0.136 0.451 0.800 0.400 C 1.045 Z: 7 2.008 1.307 0.539 0.416 0.500 0.333 CA 0.891 Z: 9 5.416 1.567 0.452 0.411 0.875 0.750 CA 1.055 9 residues pruned to eliminate duplicates Z: 9 3.295 1.466 0.380 0.405 0.875 0.375 CB 0.728 9 residues pruned to eliminate duplicates 6 1.252 1.519 0.137 0.370 0.800 0.400 CB 0.466 ? Z: 7 2.449 1.264 0.472 0.248 0.667 0.333 O 1.078 Z: 20 24.373 2.214 0.501 0.906 0.842 0.632 CB 1.422 20 residues pruned to eliminate duplicates Z: 60 32.095 1.949 0.484 0.602 0.932 0.542 CA 1.407 64 residues pruned to eliminate duplicates Z: 13 4.580 1.391 0.293 0.299 0.833 0.250 CB 1.104 13 residues pruned to eliminate duplicates Z: 17 10.179 1.824 0.293 0.513 0.875 0.500 CB 1.218 17 residues pruned to eliminate duplicates Z: 7 5.208 1.595 0.273 0.638 0.833 0.333 CA 1.105 7 residues pruned to eliminate duplicates 7 1.828 1.452 0.160 0.388 0.667 0.333 CB 0.748 ? Z: 16 12.404 1.903 0.307 0.439 0.933 0.533 CA 1.469 16 residues pruned to eliminate duplicates Z: 6 5.382 1.758 0.404 0.688 1.000 0.400 CB 0.821 6 residues pruned to eliminate duplicates Z: 23 9.332 1.726 0.343 0.366 0.909 0.591 CB 1.090 23 residues pruned to eliminate duplicates Z: 8 9.961 2.121 0.597 0.475 0.857 0.571 CA 1.330 8 residues pruned to eliminate duplicates Z: 38 29.629 2.191 0.293 0.639 0.946 0.703 CB 1.596 38 residues pruned to eliminate duplicates Z: 6 3.855 1.449 0.393 0.453 1.000 0.400 CB 0.896 Z: 15 10.475 1.769 0.352 0.552 0.857 0.500 CB 1.298 24 residues pruned to eliminate duplicates Z: 14 11.348 1.803 0.511 0.516 0.923 0.692 CA 1.232 14 residues pruned to eliminate duplicates Z: 11 7.612 1.748 0.412 0.525 0.900 0.600 CB 1.057 11 residues pruned to eliminate duplicates Z: 14 5.587 1.530 0.306 0.269 0.769 0.538 CA 1.310 Z: 7 3.077 1.827 -0.230 0.622 1.000 0.667 CB 0.796 Z: 6 2.724 1.331 0.500 0.369 0.800 0.600 CB 0.877 Z: 6 5.478 1.637 0.939 0.486 0.800 0.600 CB 0.979 6 residues pruned to eliminate duplicates Z: 10 2.621 1.276 0.862 0.324 0.556 0.222 CA 0.803 Z: 7 4.962 1.483 0.626 0.405 0.833 0.333 CA 1.114 Z: 8 3.278 1.471 0.554 0.284 0.714 0.571 CB 0.968 Z: 12 9.314 1.835 0.214 0.643 0.909 0.636 CB 1.212 12 residues pruned to eliminate duplicates Z: 23 14.075 1.941 0.692 0.360 0.727 0.455 CB 1.461 23 residues pruned to eliminate duplicates Z: 17 8.903 1.814 0.530 0.292 0.750 0.438 CB 1.350 17 residues pruned to eliminate duplicates 7 1.991 1.341 0.543 0.250 0.500 0.333 C 1.047 ? Using tripeptides from previous cycle as seeds Z: 13 13.045 2.079 0.270 0.526 0.917 0.667 CB 1.517 13 residues pruned to eliminate duplicates Z: 6 5.901 1.824 0.688 0.453 0.800 0.600 CA 1.124 6 residues pruned to eliminate duplicates Z: 13 14.967 2.062 0.347 0.610 0.917 0.833 CB 1.529 13 residues pruned to eliminate duplicates Z: 7 4.284 1.905 0.095 0.316 0.833 0.667 CB 1.233 7 residues pruned to eliminate duplicates Z: 13 15.358 2.059 0.297 0.659 0.917 0.750 CB 1.563 13 residues pruned to eliminate duplicates Z: 6 2.551 1.530 1.003 0.215 0.800 0.200 CA 0.651 5 residues pruned to eliminate duplicates Z: 12 10.530 1.941 0.740 0.308 0.818 0.455 CA 1.421 9 residues pruned to eliminate duplicates Z: 10 10.733 2.064 0.568 0.332 0.889 0.444 CB 1.495 13 residues pruned to eliminate duplicates Z: 11 10.677 1.926 0.549 0.374 0.900 0.400 CB 1.439 11 residues pruned to eliminate duplicates Z: 16 11.215 1.803 0.470 0.288 0.933 0.333 CB 1.486 16 residues pruned to eliminate duplicates Z: 9 4.986 1.694 0.344 0.506 0.750 0.500 CB 1.026 9 residues pruned to eliminate duplicates Z: 8 4.244 1.663 0.276 0.498 0.714 0.429 CB 1.061 8 residues pruned to eliminate duplicates Z: 8 3.059 1.837 -0.126 0.352 0.857 0.286 CB 0.986 8 residues pruned to eliminate duplicates Z: 8 3.867 1.842 0.061 0.287 0.857 0.286 CB 1.108 8 residues pruned to eliminate duplicates Z: 10 18.928 2.064 0.899 0.598 0.889 0.444 CB 1.649 9 residues pruned to eliminate duplicates Z: 9 10.445 1.864 0.564 0.655 0.875 0.625 CA 1.254 9 residues pruned to eliminate duplicates Z: 10 10.089 1.857 0.974 0.574 0.667 0.667 CB 1.282 10 residues pruned to eliminate duplicates Z: 9 15.357 2.006 0.981 0.658 0.875 0.500 CB 1.349 9 residues pruned to eliminate duplicates Z: 10 17.055 1.997 0.979 0.579 0.889 0.444 CA 1.499 10 residues pruned to eliminate duplicates Z: 12 11.038 1.779 0.696 0.442 0.818 0.455 CB 1.432 12 residues pruned to eliminate duplicates Z: 10 11.557 1.917 0.206 0.527 1.000 0.556 CA 1.622 10 residues pruned to eliminate duplicates Z: 13 9.525 1.929 0.336 0.445 0.833 0.500 CA 1.354 13 residues pruned to eliminate duplicates Z: 12 7.405 1.862 0.082 0.378 0.909 0.364 CA 1.388 12 residues pruned to eliminate duplicates Z: 11 7.802 1.967 0.341 0.423 0.800 0.400 CA 1.267 11 residues pruned to eliminate duplicates Z: 17 9.015 1.896 0.112 0.348 0.875 0.312 CA 1.440 12 residues pruned to eliminate duplicates Z: 6 4.916 1.425 0.442 0.377 1.000 0.400 CA 1.220 6 residues pruned to eliminate duplicates Z: 19 10.206 1.840 0.258 0.377 0.889 0.444 CB 1.333 25 residues pruned to eliminate duplicates Z: 6 4.008 1.626 1.188 0.315 0.800 0.600 CA 0.773 6 residues pruned to eliminate duplicates Z: 21 18.148 2.040 0.376 0.533 0.950 0.700 CB 1.472 21 residues pruned to eliminate duplicates Z: 6 5.489 1.718 0.711 0.404 1.000 0.600 CB 0.924 6 residues pruned to eliminate duplicates Z: 19 21.433 2.123 0.484 0.556 1.000 0.667 CB 1.518 19 residues pruned to eliminate duplicates Z: 7 4.776 1.634 0.278 0.310 1.000 0.500 CB 1.152 5 residues pruned to eliminate duplicates Z: 6 4.080 1.879 0.166 0.305 1.000 0.600 CB 1.035 6 residues pruned to eliminate duplicates Z: 22 20.285 1.965 0.458 0.578 1.000 0.524 CB 1.433 22 residues pruned to eliminate duplicates Z: 7 7.032 1.871 0.341 0.427 0.833 0.667 N 1.482 7 residues pruned to eliminate duplicates Z: 8 10.210 1.954 0.503 0.430 0.857 0.143 N 1.648 11 residues pruned to eliminate duplicates Z: 8 4.973 1.892 0.294 0.304 0.714 0.286 CB 1.337 7 residues pruned to eliminate duplicates Z: 14 6.741 1.789 0.175 0.302 0.769 0.154 CB 1.441 19 residues pruned to eliminate duplicates Z: 8 2.825 1.602 0.299 0.471 0.857 0.286 CB 0.617 7 residues pruned to eliminate duplicates Z: 10 7.725 1.736 0.362 0.680 0.889 0.222 CB 1.039 7 residues pruned to eliminate duplicates Z: 13 5.207 1.854 0.474 0.359 0.750 0.333 CB 0.854 13 residues pruned to eliminate duplicates Z: 18 8.937 1.826 0.336 0.472 0.941 0.529 CB 0.972 15 residues pruned to eliminate duplicates Z: 10 7.027 1.657 0.432 0.633 0.778 0.444 CB 1.121 10 residues pruned to eliminate duplicates Z: 21 7.440 1.695 0.256 0.430 0.900 0.450 CB 0.934 21 residues pruned to eliminate duplicates Z: 9 4.459 1.573 0.226 0.372 0.875 0.375 CB 1.071 9 residues pruned to eliminate duplicates Z: 10 5.671 1.643 0.251 0.438 1.000 0.556 CB 0.981 10 residues pruned to eliminate duplicates Z: 8 3.226 1.641 0.215 0.145 0.857 0.429 N 1.106 8 residues pruned to eliminate duplicates Z: 9 4.515 1.665 0.126 0.394 0.875 0.500 CB 1.088 9 residues pruned to eliminate duplicates Z: 6 3.341 1.613 0.225 0.362 0.800 0.200 CB 1.096 6 residues pruned to eliminate duplicates Z: 11 5.693 1.968 0.320 0.217 0.700 0.300 CA 1.380 11 residues pruned to eliminate duplicates Z: 15 7.934 1.809 0.450 0.372 0.857 0.571 CA 1.082 14 residues pruned to eliminate duplicates Z: 6 6.723 1.817 0.352 0.693 1.000 0.600 CA 1.026 9 residues pruned to eliminate duplicates Z: 8 6.995 1.717 0.497 0.484 1.000 0.571 CA 1.046 8 residues pruned to eliminate duplicates Z: 14 9.959 1.814 0.414 0.454 0.846 0.308 CB 1.334 13 residues pruned to eliminate duplicates Z: 6 4.298 1.565 0.397 0.466 1.000 0.800 CB 0.911 6 residues pruned to eliminate duplicates Z: 9 6.646 1.740 0.308 0.428 0.875 0.375 CA 1.272 8 residues pruned to eliminate duplicates Z: 7 2.897 1.464 0.114 0.368 0.833 0.667 N 1.002 7 residues pruned to eliminate duplicates Z: 25 16.254 1.883 0.440 0.433 1.000 0.542 CA 1.312 25 residues pruned to eliminate duplicates Z: 7 2.763 1.462 0.400 0.446 0.667 0.333 CA 0.874 7 residues pruned to eliminate duplicates Z: 31 18.338 1.834 0.395 0.482 1.000 0.633 CA 1.333 31 residues pruned to eliminate duplicates Z: 14 12.594 1.926 0.522 0.509 0.923 0.769 CA 1.280 14 residues pruned to eliminate duplicates Z: 41 26.605 1.977 0.513 0.596 0.975 0.700 CA 1.316 41 residues pruned to eliminate duplicates Z: 14 14.895 2.008 0.502 0.502 1.000 0.769 CB 1.367 14 residues pruned to eliminate duplicates Z: 34 24.486 1.982 0.564 0.692 0.970 0.788 CA 1.190 34 residues pruned to eliminate duplicates Z: 24 14.249 1.915 0.402 0.395 0.913 0.652 CB 1.354 24 residues pruned to eliminate duplicates Z: 22 11.437 1.902 0.212 0.385 0.952 0.619 CB 1.284 22 residues pruned to eliminate duplicates Z: 38 21.812 1.895 0.488 0.591 0.919 0.486 CA 1.268 38 residues pruned to eliminate duplicates Z: 34 22.450 1.994 0.522 0.622 0.909 0.667 CA 1.263 34 residues pruned to eliminate duplicates Z: 31 18.668 2.045 0.514 0.524 0.833 0.467 CA 1.290 31 residues pruned to eliminate duplicates Z: 57 29.008 1.996 0.442 0.578 0.929 0.500 CA 1.345 57 residues pruned to eliminate duplicates Z: 41 24.316 1.982 0.433 0.580 0.925 0.500 CA 1.355 41 residues pruned to eliminate duplicates Z: 32 22.995 2.062 0.506 0.675 0.903 0.516 CA 1.253 32 residues pruned to eliminate duplicates Z: 61 28.132 1.952 0.464 0.583 0.917 0.533 CA 1.279 60 residues pruned to eliminate duplicates Z: 19 20.599 2.096 0.577 0.906 0.944 0.444 CA 1.106 19 residues pruned to eliminate duplicates Z: 30 24.852 2.123 0.549 0.720 0.931 0.586 CA 1.235 30 residues pruned to eliminate duplicates Z: 29 21.684 2.061 0.546 0.690 0.929 0.429 CA 1.164 29 residues pruned to eliminate duplicates Z: 39 23.630 2.015 0.400 0.671 0.947 0.500 CA 1.224 39 residues pruned to eliminate duplicates Z: 44 30.248 1.981 0.589 0.674 0.953 0.419 CA 1.308 40 residues pruned to eliminate duplicates Z: 39 28.169 2.078 0.514 0.655 0.947 0.474 CA 1.328 39 residues pruned to eliminate duplicates Z: 30 22.516 2.088 0.499 0.732 0.862 0.552 CA 1.258 30 residues pruned to eliminate duplicates Z: 20 17.534 2.020 0.726 0.712 0.842 0.526 CA 1.131 20 residues pruned to eliminate duplicates Z: 49 30.674 2.073 0.622 0.648 0.917 0.521 CA 1.251 49 residues pruned to eliminate duplicates Z: 18 22.338 2.156 0.765 0.874 0.824 0.353 CA 1.258 18 residues pruned to eliminate duplicates Z: 18 18.093 2.039 0.747 0.818 0.824 0.412 CA 1.135 18 residues pruned to eliminate duplicates Z: 42 26.528 2.026 0.481 0.641 0.927 0.244 CA 1.306 42 residues pruned to eliminate duplicates Z: 60 28.220 1.995 0.405 0.582 0.898 0.542 CA 1.349 60 residues pruned to eliminate duplicates Z: 43 24.856 1.974 0.537 0.607 0.833 0.310 CB 1.370 43 residues pruned to eliminate duplicates Z: 21 19.407 2.065 0.785 0.781 0.750 0.450 CA 1.226 21 residues pruned to eliminate duplicates Z: 32 22.390 2.043 0.491 0.667 0.903 0.452 CA 1.253 32 residues pruned to eliminate duplicates Z: 29 20.853 1.983 0.669 0.631 0.929 0.321 CA 1.134 29 residues pruned to eliminate duplicates Z: 49 28.026 2.102 0.389 0.638 0.917 0.521 CA 1.328 49 residues pruned to eliminate duplicates Z: 19 14.113 2.023 0.261 0.535 0.944 0.278 CB 1.335 19 residues pruned to eliminate duplicates Z: 59 31.011 1.993 0.536 0.564 0.948 0.552 CA 1.318 59 residues pruned to eliminate duplicates Z: 46 28.829 2.109 0.443 0.661 0.911 0.600 CA 1.335 46 residues pruned to eliminate duplicates Z: 27 19.174 2.013 0.437 0.569 0.923 0.346 CA 1.317 27 residues pruned to eliminate duplicates Z: 58 32.284 2.036 0.459 0.609 0.930 0.579 CA 1.396 58 residues pruned to eliminate duplicates Z: 12 14.894 2.073 0.402 0.712 0.909 0.455 CA 1.403 12 residues pruned to eliminate duplicates Z: 16 17.893 2.123 0.354 0.651 0.933 0.467 CA 1.496 16 residues pruned to eliminate duplicates Z: 14 17.496 2.178 0.173 0.764 1.000 0.385 CB 1.503 14 residues pruned to eliminate duplicates Z: 15 17.225 2.104 0.231 0.738 1.000 0.571 CB 1.436 15 residues pruned to eliminate duplicates Z: 38 23.350 1.986 0.636 0.612 0.892 0.351 CA 1.191 38 residues pruned to eliminate duplicates Z: 16 16.888 2.109 0.367 0.625 0.933 0.467 CB 1.441 16 residues pruned to eliminate duplicates Z: 35 25.819 2.088 0.614 0.706 0.882 0.412 CA 1.234 35 residues pruned to eliminate duplicates Z: 18 14.062 2.007 0.455 0.559 0.882 0.353 CA 1.250 18 residues pruned to eliminate duplicates Z: 23 18.045 2.076 0.420 0.500 0.909 0.364 CA 1.437 23 residues pruned to eliminate duplicates Z: 20 16.016 2.009 0.297 0.572 1.000 0.368 CB 1.315 20 residues pruned to eliminate duplicates Z: 14 9.924 1.738 0.439 0.473 0.923 0.385 CB 1.225 14 residues pruned to eliminate duplicates Z: 13 14.082 1.891 0.607 0.580 0.833 0.667 CA 1.486 13 residues pruned to eliminate duplicates Z: 15 16.702 1.810 0.710 0.516 0.929 0.571 C 1.528 15 residues pruned to eliminate duplicates Z: 18 17.074 1.941 0.752 0.393 0.882 0.529 CB 1.545 18 residues pruned to eliminate duplicates Z: 13 15.602 1.967 0.592 0.506 0.917 0.583 N 1.560 13 residues pruned to eliminate duplicates Z: 56 36.746 2.068 0.551 0.562 0.891 0.564 CA 1.633 56 residues pruned to eliminate duplicates Z: 13 17.974 1.793 0.938 0.672 0.917 0.750 CA 1.389 13 residues pruned to eliminate duplicates Z: 14 16.969 1.929 0.861 0.436 0.846 0.462 C 1.656 14 residues pruned to eliminate duplicates Z: 11 13.964 2.040 0.622 0.493 0.800 0.400 N 1.680 11 residues pruned to eliminate duplicates Z: 12 11.258 2.099 0.871 0.260 0.636 0.364 CA 1.788 12 residues pruned to eliminate duplicates Z: 48 34.054 2.037 0.593 0.545 0.894 0.532 CA 1.640 48 residues pruned to eliminate duplicates Z: 33 23.714 2.019 0.590 0.416 0.844 0.375 CA 1.690 33 residues pruned to eliminate duplicates Z: 52 35.848 2.062 0.620 0.532 0.902 0.588 CA 1.615 44 residues pruned to eliminate duplicates Z: 6 3.220 1.740 0.782 0.245 0.600 0.400 CB 1.040 6 residues pruned to eliminate duplicates Z: 12 11.245 2.099 0.452 0.412 0.818 0.545 CA 1.491 12 residues pruned to eliminate duplicates Z: 37 35.240 2.156 0.544 0.543 0.972 0.611 CB 1.739 37 residues pruned to eliminate duplicates Z: 43 31.062 2.029 0.572 0.544 0.929 0.643 CB 1.550 43 residues pruned to eliminate duplicates Z: 30 26.789 2.127 0.417 0.612 0.966 0.621 CB 1.537 30 residues pruned to eliminate duplicates Z: 32 29.209 2.110 0.715 0.455 0.871 0.581 CB 1.743 31 residues pruned to eliminate duplicates Z: 7 4.901 1.436 0.607 0.509 1.000 0.667 CA 0.859 7 residues pruned to eliminate duplicates Z: 20 15.196 2.068 0.492 0.370 0.895 0.632 CB 1.451 20 residues pruned to eliminate duplicates Z: 30 27.809 2.145 0.577 0.601 0.862 0.586 CA 1.610 30 residues pruned to eliminate duplicates Z: 20 15.434 2.151 0.582 0.359 0.842 0.632 CB 1.439 20 residues pruned to eliminate duplicates Z: 33 28.080 2.057 0.539 0.630 0.938 0.719 CA 1.480 33 residues pruned to eliminate duplicates Z: 34 25.602 1.998 0.583 0.592 0.909 0.636 CA 1.419 34 residues pruned to eliminate duplicates Z: 39 25.056 1.952 0.351 0.598 0.974 0.658 CA 1.442 39 residues pruned to eliminate duplicates Z: 41 35.414 2.109 0.682 0.493 0.925 0.575 CA 1.718 41 residues pruned to eliminate duplicates Z: 37 30.671 2.057 0.512 0.636 0.944 0.694 CA 1.532 37 residues pruned to eliminate duplicates Z: 48 31.252 1.967 0.553 0.593 0.915 0.596 CB 1.493 48 residues pruned to eliminate duplicates Z: 30 27.787 2.100 0.536 0.650 0.897 0.655 CA 1.551 30 residues pruned to eliminate duplicates Z: 43 29.593 2.046 0.568 0.582 0.857 0.571 CA 1.534 43 residues pruned to eliminate duplicates Z: 46 35.343 2.001 0.708 0.542 0.911 0.511 CA 1.623 46 residues pruned to eliminate duplicates Z: 49 41.910 2.092 0.666 0.594 0.979 0.646 CA 1.621 50 residues pruned to eliminate duplicates Z: 23 28.183 1.966 0.669 0.859 1.000 0.682 CA 1.347 23 residues pruned to eliminate duplicates Z: 41 30.153 2.058 0.426 0.629 0.925 0.650 CB 1.555 41 residues pruned to eliminate duplicates Z: 52 35.350 2.044 0.647 0.539 0.863 0.569 CB 1.640 52 residues pruned to eliminate duplicates Z: 40 30.576 2.005 0.536 0.646 0.949 0.667 CA 1.462 40 residues pruned to eliminate duplicates Z: 31 24.851 1.939 0.563 0.615 0.933 0.533 CB 1.439 31 residues pruned to eliminate duplicates Z: 45 28.251 2.012 0.519 0.558 0.886 0.568 CA 1.486 45 residues pruned to eliminate duplicates Z: 40 32.890 2.049 0.597 0.612 0.923 0.590 CA 1.567 41 residues pruned to eliminate duplicates Z: 22 36.670 2.097 0.715 0.858 0.952 0.524 CA 1.720 22 residues pruned to eliminate duplicates Z: 50 37.250 2.030 0.820 0.535 0.857 0.531 CA 1.623 50 residues pruned to eliminate duplicates Z: 43 34.171 2.057 0.696 0.610 0.929 0.548 CA 1.467 43 residues pruned to eliminate duplicates Z: 22 39.312 2.077 0.777 0.911 0.952 0.429 CA 1.730 22 residues pruned to eliminate duplicates Z: 21 17.014 1.922 0.633 0.596 0.750 0.400 CA 1.475 21 residues pruned to eliminate duplicates Z: 44 34.888 2.050 0.698 0.590 0.907 0.512 CB 1.546 44 residues pruned to eliminate duplicates Z: 15 10.230 1.697 0.410 0.757 0.714 0.500 N 1.272 15 residues pruned to eliminate duplicates Z: 57 37.587 2.029 0.617 0.569 0.875 0.464 CB 1.636 55 residues pruned to eliminate duplicates Z: 7 4.963 1.745 0.066 0.394 1.000 0.333 N 1.218 7 residues pruned to eliminate duplicates Z: 55 25.928 2.190 0.420 0.354 0.852 0.426 CB 1.559 57 residues pruned to eliminate duplicates Z: 6 7.484 2.050 0.744 0.479 0.600 0.200 CB 1.594 6 residues pruned to eliminate duplicates Z: 25 21.922 2.315 0.538 0.369 0.917 0.500 CA 1.579 25 residues pruned to eliminate duplicates Z: 51 27.113 2.189 0.380 0.350 0.940 0.500 CB 1.588 51 residues pruned to eliminate duplicates Z: 55 28.263 2.174 0.468 0.369 0.907 0.463 CB 1.529 54 residues pruned to eliminate duplicates Z: 6 4.827 1.741 0.367 0.406 0.800 0.400 N 1.251 6 residues pruned to eliminate duplicates Z: 27 19.236 2.231 0.493 0.265 0.923 0.423 CB 1.603 27 residues pruned to eliminate duplicates Z: 28 18.017 2.222 0.362 0.266 0.889 0.556 CA 1.682 28 residues pruned to eliminate duplicates Z: 28 19.610 2.173 0.457 0.302 0.963 0.444 CA 1.543 28 residues pruned to eliminate duplicates Z: 30 18.658 2.170 0.481 0.314 0.862 0.483 CB 1.536 30 residues pruned to eliminate duplicates Z: 30 18.149 2.143 0.509 0.272 0.897 0.345 CA 1.505 30 residues pruned to eliminate duplicates Z: 29 18.902 2.195 0.478 0.286 0.893 0.429 CA 1.570 29 residues pruned to eliminate duplicates Z: 31 18.656 2.128 0.473 0.325 0.933 0.367 CA 1.411 31 residues pruned to eliminate duplicates Z: 25 23.102 2.357 0.507 0.347 0.917 0.500 CA 1.709 25 residues pruned to eliminate duplicates Z: 25 16.052 2.224 0.435 0.246 0.875 0.417 CB 1.572 25 residues pruned to eliminate duplicates Z: 22 19.206 2.302 0.620 0.302 0.952 0.476 CA 1.471 22 residues pruned to eliminate duplicates Z: 29 19.322 2.156 0.453 0.334 0.929 0.393 CA 1.505 29 residues pruned to eliminate duplicates Z: 35 17.374 2.143 0.264 0.293 0.882 0.412 CB 1.571 35 residues pruned to eliminate duplicates Z: 26 18.767 2.265 0.375 0.309 0.880 0.480 CB 1.692 26 residues pruned to eliminate duplicates Z: 57 23.895 2.144 0.412 0.330 0.857 0.411 CB 1.483 57 residues pruned to eliminate duplicates Z: 55 21.350 2.147 0.348 0.309 0.815 0.463 CA 1.523 55 residues pruned to eliminate duplicates Z: 34 15.951 2.175 0.307 0.295 0.758 0.455 CA 1.622 34 residues pruned to eliminate duplicates Z: 31 18.513 2.111 0.400 0.376 0.833 0.400 CA 1.568 31 residues pruned to eliminate duplicates Z: 37 15.546 1.992 0.214 0.394 0.806 0.389 CB 1.487 37 residues pruned to eliminate duplicates Z: 56 25.710 2.146 0.342 0.354 0.909 0.527 CB 1.551 56 residues pruned to eliminate duplicates Z: 37 16.406 2.062 0.346 0.344 0.833 0.556 CB 1.401 37 residues pruned to eliminate duplicates Z: 56 24.080 2.174 0.343 0.324 0.873 0.400 CB 1.547 56 residues pruned to eliminate duplicates Z: 56 23.762 2.184 0.333 0.325 0.836 0.418 CB 1.595 56 residues pruned to eliminate duplicates Z: 56 25.787 2.176 0.392 0.353 0.855 0.491 CB 1.576 56 residues pruned to eliminate duplicates Z: 62 25.186 2.121 0.372 0.334 0.869 0.410 CB 1.529 62 residues pruned to eliminate duplicates Z: 56 25.115 2.174 0.341 0.345 0.873 0.455 CB 1.575 56 residues pruned to eliminate duplicates Z: 29 13.571 2.101 0.121 0.369 0.857 0.536 CB 1.462 29 residues pruned to eliminate duplicates Z: 55 19.708 2.184 0.242 0.306 0.796 0.407 CB 1.541 55 residues pruned to eliminate duplicates Z: 23 11.964 2.102 0.175 0.323 0.864 0.409 CA 1.454 23 residues pruned to eliminate duplicates Z: 50 23.812 2.206 0.344 0.360 0.857 0.429 CA 1.556 50 residues pruned to eliminate duplicates Z: 30 14.651 2.080 0.234 0.381 0.862 0.517 CB 1.396 30 residues pruned to eliminate duplicates Z: 29 15.533 2.099 0.288 0.389 0.893 0.500 CB 1.368 29 residues pruned to eliminate duplicates Z: 16 10.599 2.046 0.299 0.377 0.867 0.400 CB 1.356 16 residues pruned to eliminate duplicates Z: 32 12.325 2.039 0.128 0.345 0.806 0.387 CB 1.413 32 residues pruned to eliminate duplicates Z: 17 8.765 1.947 0.142 0.330 0.875 0.312 CB 1.356 17 residues pruned to eliminate duplicates Z: 56 23.063 2.177 0.278 0.330 0.855 0.491 CB 1.577 56 residues pruned to eliminate duplicates Z: 23 13.726 2.176 0.308 0.336 0.818 0.455 CA 1.503 23 residues pruned to eliminate duplicates Z: 29 15.155 2.060 0.322 0.389 0.786 0.500 CB 1.505 29 residues pruned to eliminate duplicates Z: 19 7.957 2.001 0.288 0.337 0.722 0.500 CB 1.204 19 residues pruned to eliminate duplicates Z: 31 16.597 2.065 0.315 0.374 0.900 0.500 CB 1.419 31 residues pruned to eliminate duplicates Z: 30 12.497 2.124 0.166 0.358 0.793 0.517 CB 1.378 30 residues pruned to eliminate duplicates Z: 35 14.277 2.057 0.243 0.347 0.853 0.500 CB 1.325 35 residues pruned to eliminate duplicates Z: 40 15.121 2.012 0.310 0.321 0.795 0.462 CB 1.407 40 residues pruned to eliminate duplicates Z: 56 27.392 2.192 0.411 0.356 0.909 0.527 CB 1.534 64 residues pruned to eliminate duplicates Z: 21 32.640 2.282 0.422 0.850 1.000 1.000 CB 1.666 21 residues pruned to eliminate duplicates Z: 67 39.290 2.186 0.436 0.557 0.939 0.697 CB 1.551 67 residues pruned to eliminate duplicates Z: 55 32.324 2.191 0.410 0.568 0.889 0.574 CB 1.499 55 residues pruned to eliminate duplicates Z: 21 21.595 2.265 0.443 0.553 0.900 0.750 CA 1.560 21 residues pruned to eliminate duplicates Z: 41 27.333 2.169 0.361 0.588 0.850 0.625 CB 1.584 41 residues pruned to eliminate duplicates Z: 38 30.814 2.247 0.299 0.636 0.946 0.784 CA 1.615 38 residues pruned to eliminate duplicates Z: 38 30.383 2.245 0.248 0.640 0.946 0.622 CB 1.653 38 residues pruned to eliminate duplicates Z: 38 30.011 2.262 0.309 0.597 0.919 0.622 CB 1.653 38 residues pruned to eliminate duplicates Z: 40 31.518 2.198 0.371 0.611 0.923 0.590 CB 1.633 40 residues pruned to eliminate duplicates Z: 75 35.133 2.110 0.407 0.527 0.878 0.595 CB 1.525 75 residues pruned to eliminate duplicates Z: 43 40.506 2.273 0.517 0.673 0.952 0.643 CB 1.622 43 residues pruned to eliminate duplicates Z: 48 24.317 2.006 0.485 0.591 0.809 0.404 CB 1.349 48 residues pruned to eliminate duplicates Z: 37 37.006 2.302 0.530 0.635 0.972 0.444 CB 1.586 37 residues pruned to eliminate duplicates Z: 71 40.438 2.146 0.505 0.566 0.929 0.571 CB 1.512 68 residues pruned to eliminate duplicates Z: 19 38.286 2.374 0.809 0.918 0.889 0.667 CB 1.666 19 residues pruned to eliminate duplicates Z: 37 38.021 2.289 0.557 0.651 0.944 0.500 CA 1.635 37 residues pruned to eliminate duplicates Z: 33 34.254 2.272 0.742 0.620 0.844 0.438 CB 1.619 33 residues pruned to eliminate duplicates Z: 41 41.921 2.278 0.657 0.655 0.925 0.500 CA 1.643 41 residues pruned to eliminate duplicates Z: 38 35.770 2.263 0.586 0.641 0.892 0.432 CB 1.609 38 residues pruned to eliminate duplicates Z: 44 36.347 2.213 0.615 0.638 0.884 0.442 CB 1.542 44 residues pruned to eliminate duplicates Z: 42 37.416 2.276 0.537 0.639 0.878 0.512 CB 1.670 42 residues pruned to eliminate duplicates Z: 39 40.085 2.261 0.699 0.600 0.947 0.447 CA 1.624 39 residues pruned to eliminate duplicates Z: 40 37.593 2.227 0.659 0.595 0.897 0.538 CB 1.659 40 residues pruned to eliminate duplicates Z: 69 42.359 2.226 0.626 0.573 0.897 0.515 CB 1.474 69 residues pruned to eliminate duplicates Z: 39 18.522 2.012 0.484 0.418 0.737 0.474 CB 1.487 39 residues pruned to eliminate duplicates Z: 42 38.479 2.248 0.758 0.646 0.878 0.415 CB 1.510 42 residues pruned to eliminate duplicates Z: 37 40.843 2.278 0.773 0.631 0.889 0.417 CA 1.677 37 residues pruned to eliminate duplicates Z: 76 34.993 2.183 0.469 0.471 0.827 0.467 CB 1.570 76 residues pruned to eliminate duplicates Z: 55 35.209 2.213 0.593 0.584 0.833 0.537 CB 1.504 55 residues pruned to eliminate duplicates Z: 65 40.817 2.235 0.571 0.548 0.891 0.500 CB 1.556 65 residues pruned to eliminate duplicates Z: 70 43.593 2.224 0.610 0.575 0.913 0.522 CB 1.493 70 residues pruned to eliminate duplicates Z: 41 31.899 2.222 0.550 0.623 0.800 0.450 CB 1.629 41 residues pruned to eliminate duplicates Z: 47 35.447 2.187 0.618 0.587 0.891 0.413 CB 1.525 47 residues pruned to eliminate duplicates Z: 51 42.085 2.282 0.642 0.602 0.880 0.480 CB 1.639 51 residues pruned to eliminate duplicates Z: 68 35.267 2.188 0.547 0.475 0.896 0.493 CB 1.459 68 residues pruned to eliminate duplicates Z: 25 21.487 2.192 0.504 0.460 0.875 0.500 CB 1.584 25 residues pruned to eliminate duplicates Z: 10 15.362 2.314 0.475 0.366 1.000 0.222 CB 1.732 10 residues pruned to eliminate duplicates Z: 49 39.235 2.245 0.645 0.623 0.896 0.417 CB 1.524 49 residues pruned to eliminate duplicates Z: 53 32.604 2.184 0.555 0.537 0.885 0.442 CB 1.452 53 residues pruned to eliminate duplicates Z: 26 24.236 2.137 0.665 0.427 0.960 0.560 CB 1.530 26 residues pruned to eliminate duplicates Z: 31 29.766 2.143 0.656 0.522 0.933 0.533 CB 1.605 31 residues pruned to eliminate duplicates Z: 6 3.892 1.977 0.177 0.365 0.800 0.200 CA 1.081 6 residues pruned to eliminate duplicates Z: 25 16.808 2.168 0.618 0.352 0.875 0.500 CB 1.312 25 residues pruned to eliminate duplicates Z: 73 35.076 2.193 0.559 0.446 0.847 0.444 CB 1.509 73 residues pruned to eliminate duplicates Z: 19 11.687 2.161 0.394 0.294 0.889 0.556 CB 1.296 19 residues pruned to eliminate duplicates Z: 28 20.275 2.179 0.556 0.374 0.926 0.481 CB 1.422 28 residues pruned to eliminate duplicates Z: 73 43.698 2.201 0.592 0.574 0.889 0.500 CB 1.540 73 residues pruned to eliminate duplicates Z: 6 2.934 1.659 0.656 0.318 1.000 0.400 CB 0.584 6 residues pruned to eliminate duplicates Z: 125 46.619 2.200 0.490 0.428 0.887 0.419 CB 1.551 125 residues pruned to eliminate duplicates Z: 64 44.772 2.264 0.657 0.555 0.937 0.444 CB 1.522 64 residues pruned to eliminate duplicates Z: 43 21.425 2.121 0.335 0.426 0.881 0.357 CB 1.432 43 residues pruned to eliminate duplicates Z: 67 41.756 2.184 0.600 0.515 0.894 0.470 CB 1.621 67 residues pruned to eliminate duplicates Z: 21 21.627 2.067 0.573 0.591 0.900 0.650 CA 1.514 22 residues pruned to eliminate duplicates Z: 13 17.665 1.959 0.645 0.643 1.000 0.250 CA 1.384 12 residues pruned to eliminate duplicates Z: 14 21.263 1.807 0.845 0.682 1.000 0.538 CB 1.496 15 residues pruned to eliminate duplicates Z: 11 14.534 1.684 0.762 0.766 1.000 0.400 CA 1.224 11 residues pruned to eliminate duplicates Z: 30 30.398 2.179 0.695 0.515 0.897 0.517 CB 1.679 30 residues pruned to eliminate duplicates Z: 30 25.335 2.123 0.588 0.472 0.897 0.517 CA 1.602 30 residues pruned to eliminate duplicates Z: 133 48.905 2.189 0.477 0.457 0.871 0.462 CB 1.579 133 residues pruned to eliminate duplicates Z: 9 10.463 1.862 0.496 0.676 0.875 0.500 CA 1.290 9 residues pruned to eliminate duplicates Z: 31 27.049 2.130 0.608 0.491 0.900 0.533 CB 1.617 31 residues pruned to eliminate duplicates Z: 15 15.381 1.880 0.704 0.593 0.857 0.429 CA 1.370 15 residues pruned to eliminate duplicates Z: 32 23.080 2.157 0.648 0.440 0.839 0.419 CB 1.479 32 residues pruned to eliminate duplicates Z: 16 23.109 2.250 0.462 0.626 0.933 0.467 CB 1.726 16 residues pruned to eliminate duplicates Z: 20 20.799 2.197 0.289 0.775 0.895 0.789 CA 1.476 20 residues pruned to eliminate duplicates Z: 21 19.795 2.059 0.462 0.634 0.900 0.450 CB 1.440 21 residues pruned to eliminate duplicates Z: 16 32.141 2.260 0.729 0.667 1.000 0.600 CB 1.819 17 residues pruned to eliminate duplicates Z: 22 28.271 2.139 0.644 0.883 1.000 0.619 CA 1.269 22 residues pruned to eliminate duplicates Z: 20 24.878 2.055 0.787 0.675 0.842 0.474 CB 1.571 20 residues pruned to eliminate duplicates Z: 42 27.993 2.133 0.590 0.453 0.902 0.463 CB 1.498 59 residues pruned to eliminate duplicates Z: 20 24.444 2.092 0.577 0.851 0.947 0.474 CB 1.329 Z: 20 23.021 2.197 0.461 0.870 0.842 0.526 CB 1.426 20 residues pruned to eliminate duplicates Z: 17 26.884 2.252 0.586 0.740 0.938 0.438 CB 1.618 13 residues pruned to eliminate duplicates Z: 17 31.557 2.201 0.963 0.869 0.938 0.438 CB 1.423 18 residues pruned to eliminate duplicates Z: 21 32.399 2.180 0.787 0.887 0.950 0.500 CB 1.411 21 residues pruned to eliminate duplicates Z: 17 22.524 2.196 0.655 0.739 0.875 0.438 CB 1.429 17 residues pruned to eliminate duplicates Z: 24 25.568 2.137 0.582 0.723 0.913 0.435 CA 1.413 24 residues pruned to eliminate duplicates Z: 26 22.712 2.052 0.566 0.696 0.840 0.400 CB 1.408 26 residues pruned to eliminate duplicates Z: 23 21.981 2.146 0.524 0.749 0.773 0.318 CB 1.485 23 residues pruned to eliminate duplicates Z: 25 23.096 2.072 0.582 0.686 0.875 0.417 CB 1.385 25 residues pruned to eliminate duplicates Z: 23 33.465 2.211 0.851 0.765 0.909 0.545 CA 1.515 23 residues pruned to eliminate duplicates Z: 7 5.500 2.020 0.383 0.855 0.667 0.500 CA 0.890 7 residues pruned to eliminate duplicates Z: 24 27.653 2.066 0.737 0.743 0.913 0.304 CA 1.416 25 residues pruned to eliminate duplicates Z: 20 30.442 2.214 0.707 0.876 0.947 0.474 CA 1.417 20 residues pruned to eliminate duplicates Z: 9 5.721 1.870 0.276 0.153 0.875 0.125 CB 1.484 9 residues pruned to eliminate duplicates Z: 6 2.378 1.746 0.189 0.153 0.600 0.400 CB 1.307 6 residues pruned to eliminate duplicates Z: 10 5.237 1.882 0.208 0.153 0.778 0.111 CA 1.511 11 residues pruned to eliminate duplicates Z: 8 3.470 1.466 0.515 0.455 0.571 0.143 CA 1.082 8 residues pruned to eliminate duplicates Z: 20 8.015 1.898 0.309 0.253 0.737 0.316 CA 1.335 20 residues pruned to eliminate duplicates Z: 18 10.165 1.798 0.568 0.441 0.824 0.412 CB 1.128 18 residues pruned to eliminate duplicates Z: 17 10.933 1.824 0.728 0.459 0.812 0.438 CB 1.114 17 residues pruned to eliminate duplicates Z: 24 9.680 1.603 0.651 0.359 0.783 0.348 CB 1.134 18 residues pruned to eliminate duplicates Z: 17 6.635 1.881 0.262 0.196 0.750 0.375 CB 1.338 25 residues pruned to eliminate duplicates Z: 6 2.598 1.620 0.116 0.198 0.800 0.400 CA 1.150 6 residues pruned to eliminate duplicates Z: 27 13.408 1.750 0.643 0.386 0.808 0.385 CB 1.278 33 residues pruned to eliminate duplicates Z: 11 8.338 1.774 0.598 0.519 0.700 0.600 CB 1.304 11 residues pruned to eliminate duplicates Z: 23 12.425 1.868 0.646 0.348 0.773 0.455 CB 1.314 26 residues pruned to eliminate duplicates Z: 6 9.673 1.882 1.013 0.666 0.800 0.400 CB 1.224 6 residues pruned to eliminate duplicates Z: 6 10.023 1.945 0.978 0.672 0.800 0.400 CB 1.243 6 residues pruned to eliminate duplicates Z: 6 5.786 1.693 0.973 0.514 0.600 0.400 CB 1.273 6 residues pruned to eliminate duplicates Z: 6 4.193 1.533 0.270 0.603 0.800 0.600 N 1.091 5 residues pruned to eliminate duplicates Z: 7 4.079 1.945 0.138 0.272 0.833 0.333 CA 1.169 7 residues pruned to eliminate duplicates Z: 22 11.990 1.977 0.279 0.323 0.857 0.524 CA 1.466 22 residues pruned to eliminate duplicates Z: 7 4.691 1.563 0.356 0.496 0.833 0.667 CA 1.088 7 residues pruned to eliminate duplicates Z: 9 5.254 2.032 0.196 0.252 0.750 0.250 N 1.355 9 residues pruned to eliminate duplicates Z: 18 12.330 2.042 0.300 0.400 0.765 0.412 CA 1.638 18 residues pruned to eliminate duplicates Z: 16 8.286 1.859 0.214 0.377 0.867 0.533 CB 1.248 12 residues pruned to eliminate duplicates Z: 6 2.659 1.587 -0.008 0.420 1.000 0.400 N 0.821 6 residues pruned to eliminate duplicates Z: 12 11.314 1.991 0.432 0.487 1.000 0.727 CB 1.212 12 residues pruned to eliminate duplicates Z: 18 15.336 2.070 0.260 0.457 0.941 0.588 CB 1.583 18 residues pruned to eliminate duplicates Z: 20 12.088 2.067 0.271 0.375 0.895 0.474 CB 1.348 20 residues pruned to eliminate duplicates Z: 15 7.582 2.018 0.165 0.307 0.786 0.429 CB 1.359 15 residues pruned to eliminate duplicates Z: 26 14.534 2.028 0.295 0.353 0.880 0.440 CB 1.474 26 residues pruned to eliminate duplicates Z: 22 12.974 2.046 0.138 0.442 0.952 0.524 CB 1.356 22 residues pruned to eliminate duplicates Z: 37 20.801 2.066 0.286 0.455 0.944 0.611 CB 1.447 37 residues pruned to eliminate duplicates Z: 16 10.804 2.096 0.208 0.329 0.933 0.333 CB 1.424 16 residues pruned to eliminate duplicates Z: 27 12.838 1.980 0.420 0.323 0.846 0.346 CB 1.287 27 residues pruned to eliminate duplicates Z: 25 12.331 1.951 0.372 0.257 0.833 0.333 CA 1.490 25 residues pruned to eliminate duplicates Z: 24 11.401 1.983 0.213 0.288 0.870 0.391 CB 1.443 24 residues pruned to eliminate duplicates Z: 41 20.613 2.046 0.383 0.419 0.925 0.525 CB 1.355 41 residues pruned to eliminate duplicates Z: 29 14.687 1.923 0.456 0.347 0.893 0.536 CB 1.311 29 residues pruned to eliminate duplicates Z: 22 10.541 1.921 0.142 0.365 0.857 0.524 CB 1.414 22 residues pruned to eliminate duplicates Z: 35 19.425 2.017 0.307 0.458 0.941 0.500 CB 1.401 35 residues pruned to eliminate duplicates Z: 27 14.978 2.014 0.384 0.374 0.923 0.538 CB 1.306 27 residues pruned to eliminate duplicates Z: 20 12.106 2.034 0.170 0.357 0.895 0.421 CA 1.523 20 residues pruned to eliminate duplicates Z: 23 9.423 1.992 0.075 0.333 0.864 0.409 CB 1.304 23 residues pruned to eliminate duplicates Z: 35 19.030 2.022 0.287 0.436 0.971 0.559 CB 1.381 35 residues pruned to eliminate duplicates Z: 32 22.302 2.075 0.344 0.515 1.000 0.645 CA 1.415 33 residues pruned to eliminate duplicates Z: 22 13.276 2.030 0.149 0.437 0.952 0.429 CB 1.392 22 residues pruned to eliminate duplicates Z: 37 24.747 2.019 0.409 0.478 1.000 0.556 CA 1.482 37 residues pruned to eliminate duplicates Z: 41 19.738 1.985 0.254 0.465 0.950 0.600 CB 1.368 41 residues pruned to eliminate duplicates Z: 22 16.954 2.033 0.296 0.556 0.952 0.714 CB 1.397 21 residues pruned to eliminate duplicates Z: 24 19.010 2.036 0.313 0.585 0.957 0.652 CB 1.428 24 residues pruned to eliminate duplicates Z: 15 15.805 2.037 0.446 0.566 0.929 0.714 N 1.449 15 residues pruned to eliminate duplicates Z: 16 18.286 2.051 0.484 0.623 0.933 0.800 CB 1.481 16 residues pruned to eliminate duplicates Z: 25 17.667 2.023 0.250 0.584 0.958 0.667 CB 1.373 25 residues pruned to eliminate duplicates Z: 15 16.635 2.090 0.281 0.624 1.000 0.571 CB 1.477 15 residues pruned to eliminate duplicates Z: 36 19.020 2.065 0.258 0.441 0.971 0.629 CB 1.353 36 residues pruned to eliminate duplicates Z: 16 16.052 2.023 0.355 0.571 0.933 0.600 CB 1.513 16 residues pruned to eliminate duplicates Z: 16 13.327 2.053 0.327 0.560 0.933 0.667 CB 1.276 16 residues pruned to eliminate duplicates Z: 37 20.206 2.030 0.285 0.502 0.972 0.528 CB 1.326 37 residues pruned to eliminate duplicates Z: 14 18.649 2.091 0.418 0.674 1.000 0.615 CB 1.486 14 residues pruned to eliminate duplicates Z: 19 15.907 1.969 0.410 0.544 0.889 0.556 CB 1.455 19 residues pruned to eliminate duplicates Z: 15 18.524 2.111 0.457 0.658 1.000 0.786 CB 1.390 15 residues pruned to eliminate duplicates Z: 14 14.795 2.066 0.419 0.653 1.000 0.769 CB 1.214 14 residues pruned to eliminate duplicates Z: 14 14.363 2.084 0.273 0.678 0.923 0.692 CA 1.380 14 residues pruned to eliminate duplicates Z: 16 12.405 1.947 0.359 0.448 0.867 0.600 CA 1.473 16 residues pruned to eliminate duplicates Z: 21 18.458 1.974 0.540 0.526 0.950 0.650 CA 1.393 17 residues pruned to eliminate duplicates Z: 18 13.204 1.869 0.404 0.442 0.882 0.588 CA 1.468 18 residues pruned to eliminate duplicates Z: 21 14.499 1.936 0.371 0.500 0.900 0.550 CA 1.357 21 residues pruned to eliminate duplicates Z: 21 15.779 1.973 0.434 0.502 0.900 0.500 CA 1.382 21 residues pruned to eliminate duplicates Z: 18 15.666 2.078 0.396 0.586 0.882 0.588 CA 1.367 18 residues pruned to eliminate duplicates Z: 19 14.649 1.986 0.439 0.546 0.889 0.500 CA 1.299 19 residues pruned to eliminate duplicates Z: 14 15.885 2.099 0.383 0.483 1.000 0.615 CA 1.544 14 residues pruned to eliminate duplicates Z: 20 14.661 1.936 0.575 0.502 0.895 0.579 CA 1.231 20 residues pruned to eliminate duplicates Z: 19 11.280 1.852 0.225 0.361 0.944 0.500 CA 1.441 15 residues pruned to eliminate duplicates Z: 21 14.887 1.973 0.354 0.481 0.950 0.650 CA 1.337 21 residues pruned to eliminate duplicates Z: 20 15.472 1.992 0.470 0.481 0.895 0.474 CA 1.381 20 residues pruned to eliminate duplicates Z: 20 12.076 1.929 0.377 0.498 0.895 0.579 CA 1.168 20 residues pruned to eliminate duplicates Z: 7 2.918 1.709 0.404 0.235 0.667 0.500 CA 1.014 7 residues pruned to eliminate duplicates Z: 20 17.803 2.024 0.527 0.558 0.947 0.737 CA 1.318 24 residues pruned to eliminate duplicates Z: 19 18.751 1.969 0.795 0.586 0.944 0.556 CA 1.220 19 residues pruned to eliminate duplicates Z: 10 5.139 1.740 0.444 0.274 0.889 0.556 CB 0.991 10 residues pruned to eliminate duplicates Z: 9 4.903 1.824 0.277 0.219 1.000 0.750 CB 1.035 8 residues pruned to eliminate duplicates 515 residues left after pruning, divided into chains as follows: A: 12 B: 6 C: 6 D: 7 E: 12 F: 9 G: 10 H: 17 I: 22 J: 18 K: 12 L: 60 M: 57 N: 133 O: 22 P: 24 Q: 19 R: 42 S: 18 T: 9 CC for partial structure against native data = 17.16 % ------------------------------------------------------------------------------ Global autotracing cycle 23 = 0.300, Contrast = 0.409, Connect. = 0.678 for dens.mod. cycle 1 = 0.300, Contrast = 0.474, Connect. = 0.700 for dens.mod. cycle 2 = 0.300, Contrast = 0.544, Connect. = 0.735 for dens.mod. cycle 3 = 0.300, Contrast = 0.553, Connect. = 0.741 for dens.mod. cycle 4 = 0.300, Contrast = 0.561, Connect. = 0.745 for dens.mod. cycle 5 = 0.300, Contrast = 0.566, Connect. = 0.749 for dens.mod. cycle 6 = 0.300, Contrast = 0.570, Connect. = 0.752 for dens.mod. cycle 7 = 0.300, Contrast = 0.572, Connect. = 0.755 for dens.mod. cycle 8 = 0.300, Contrast = 0.574, Connect. = 0.756 for dens.mod. cycle 9 = 0.300, Contrast = 0.575, Connect. = 0.758 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6878 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1176 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 18.837 2.102 0.307 0.889 0.947 0.737 CA 1.195 B: 22 28.889 2.166 0.395 0.885 0.952 0.762 CB 1.582 C: 21 34.412 2.244 0.474 0.883 1.000 0.750 CB 1.683 21 residues pruned to eliminate duplicates D: 17 16.051 2.115 0.204 0.522 1.000 0.625 CB 1.542 E: 64 46.660 2.223 0.649 0.598 0.968 0.476 CB 1.509 22 residues pruned to eliminate duplicates F: 21 27.318 2.168 0.569 0.868 0.950 0.650 CA 1.382 20 residues pruned to eliminate duplicates G: 22 34.596 2.127 0.570 0.903 1.000 0.857 CB 1.611 22 residues pruned to eliminate duplicates H: 11 12.925 2.063 0.158 0.874 0.900 0.600 CA 1.383 11 residues pruned to eliminate duplicates I: 20 30.109 2.305 0.362 0.847 0.895 0.579 CB 1.825 20 residues pruned to eliminate duplicates J: 22 30.061 2.177 0.289 0.874 1.000 0.571 CB 1.700 22 residues pruned to eliminate duplicates K: 20 10.368 1.899 0.097 0.412 0.842 0.632 CB 1.487 L: 10 10.127 1.820 0.339 0.489 1.000 0.222 CA 1.401 M: 20 39.599 2.316 0.579 0.896 1.000 0.895 CB 1.779 20 residues pruned to eliminate duplicates N: 21 32.740 2.277 0.302 0.874 1.000 0.600 CB 1.798 21 residues pruned to eliminate duplicates O: 23 33.691 2.019 0.680 0.890 1.000 0.864 CA 1.523 P: 9 6.031 1.711 0.505 0.535 0.750 0.250 N 1.067 Q: 20 17.549 2.249 0.572 0.340 0.895 0.421 CA 1.515 10 residues pruned to eliminate duplicates R: 22 19.964 2.083 0.325 0.553 1.000 0.714 CB 1.499 S: 23 15.688 1.898 0.388 0.446 0.955 0.545 CA 1.406 T: 22 22.127 2.100 0.118 0.844 0.905 0.524 N 1.692 22 residues pruned to eliminate duplicates U: 9 22.439 2.109 0.574 0.866 1.000 0.750 CA 1.749 9 residues pruned to eliminate duplicates V: 40 33.438 2.219 0.524 0.607 0.872 0.436 CB 1.641 40 residues pruned to eliminate duplicates W: 16 8.355 1.955 0.083 0.454 0.733 0.467 CB 1.456 X: 13 8.860 1.982 0.392 0.364 0.750 0.333 CB 1.431 7 residues pruned to eliminate duplicates Y: 19 19.958 2.131 0.183 0.905 1.000 0.889 CB 1.328 19 residues pruned to eliminate duplicates Z: 15 26.738 2.058 0.567 0.890 1.000 0.714 CB 1.594 15 residues pruned to eliminate duplicates Z: 21 41.936 2.253 0.844 0.926 1.000 0.550 CB 1.583 21 residues pruned to eliminate duplicates Z: 22 34.343 2.148 0.466 0.887 1.000 0.714 CB 1.715 22 residues pruned to eliminate duplicates Z: 13 14.409 1.968 0.512 0.778 0.833 0.583 CB 1.312 13 residues pruned to eliminate duplicates Z: 19 37.688 2.391 0.819 0.902 0.889 0.611 CB 1.639 19 residues pruned to eliminate duplicates Z: 21 31.420 2.261 0.484 0.883 0.950 0.450 CB 1.594 21 residues pruned to eliminate duplicates Z: 13 25.902 2.273 0.716 0.924 0.917 0.417 CB 1.469 13 residues pruned to eliminate duplicates Z: 13 10.536 1.962 0.202 0.439 0.917 0.500 CB 1.498 Z: 50 36.072 2.232 0.707 0.582 0.857 0.469 CB 1.459 50 residues pruned to eliminate duplicates Z: 12 19.127 2.206 0.372 0.820 0.909 0.727 CA 1.587 12 residues pruned to eliminate duplicates Z: 11 13.615 2.073 0.286 0.835 1.000 0.600 CB 1.209 Z: 22 27.468 2.202 0.288 0.843 1.000 0.857 CB 1.573 22 residues pruned to eliminate duplicates Z: 67 39.715 2.187 0.510 0.564 0.939 0.515 CB 1.481 66 residues pruned to eliminate duplicates Z: 18 6.247 1.732 0.083 0.332 0.882 0.588 CB 1.101 Z: 18 21.627 2.073 0.490 0.888 0.824 0.765 CB 1.485 18 residues pruned to eliminate duplicates Z: 26 16.367 2.054 0.453 0.339 0.920 0.440 CB 1.421 26 residues pruned to eliminate duplicates Z: 20 27.528 2.131 0.592 0.908 1.000 0.737 CA 1.323 21 residues pruned to eliminate duplicates Z: 9 7.909 2.192 -0.313 0.831 0.875 0.625 CB 1.594 9 residues pruned to eliminate duplicates Z: 6 12.099 1.749 0.663 0.785 1.000 0.600 CA 1.448 Z: 7 4.899 2.013 0.459 0.351 0.667 0.500 CA 1.200 Z: 8 9.051 1.975 0.595 0.509 0.714 0.571 CA 1.506 8 residues pruned to eliminate duplicates Z: 16 15.011 2.034 0.325 0.625 0.933 0.733 CB 1.370 16 residues pruned to eliminate duplicates Z: 20 37.248 2.274 0.402 0.913 1.000 0.789 CB 1.898 20 residues pruned to eliminate duplicates Z: 22 38.787 2.087 0.724 0.896 1.000 0.619 CA 1.686 23 residues pruned to eliminate duplicates Z: 6 7.356 1.932 0.285 0.486 0.800 0.600 N 1.679 Z: 22 29.529 2.194 0.555 0.860 0.857 0.286 CB 1.621 22 residues pruned to eliminate duplicates Z: 9 9.163 2.128 -0.099 0.786 0.875 0.500 CB 1.502 9 residues pruned to eliminate duplicates Z: 21 28.881 2.153 0.762 0.869 0.950 0.900 CA 1.310 20 residues pruned to eliminate duplicates Z: 19 15.682 2.090 0.509 0.388 0.889 0.611 CB 1.485 19 residues pruned to eliminate duplicates Z: 10 13.276 2.194 0.161 0.872 0.889 0.889 CB 1.423 10 residues pruned to eliminate duplicates Z: 36 19.932 2.055 0.198 0.456 0.971 0.657 CA 1.474 21 residues pruned to eliminate duplicates Z: 6 5.557 1.957 0.410 0.533 0.800 0.400 CA 1.090 Z: 13 16.033 1.842 0.505 0.770 1.000 0.500 CA 1.315 11 residues pruned to eliminate duplicates Z: 18 19.959 2.021 0.393 0.863 0.941 0.765 CA 1.340 18 residues pruned to eliminate duplicates Z: 7 5.066 1.721 -0.060 0.431 1.000 0.500 CA 1.373 Z: 9 11.657 1.753 0.385 0.850 0.875 0.625 CA 1.437 Z: 16 20.104 2.161 0.558 0.785 0.733 0.467 CA 1.636 16 residues pruned to eliminate duplicates Z: 26 15.885 2.229 0.357 0.279 0.840 0.360 CA 1.605 26 residues pruned to eliminate duplicates Z: 20 17.135 2.059 0.362 0.533 0.895 0.632 CA 1.516 17 residues pruned to eliminate duplicates Z: 7 5.561 1.676 0.377 0.614 0.833 0.500 CB 1.059 Z: 12 17.494 2.210 0.265 0.641 1.000 0.818 CB 1.654 12 residues pruned to eliminate duplicates Z: 17 14.806 2.009 0.392 0.560 0.938 0.562 CA 1.332 Z: 8 14.497 2.030 0.382 0.881 1.000 0.857 CA 1.414 8 residues pruned to eliminate duplicates Z: 8 7.501 1.836 0.963 0.433 0.714 0.714 CB 1.180 6 residues pruned to eliminate duplicates Z: 35 23.922 2.130 0.487 0.621 0.853 0.324 CB 1.355 35 residues pruned to eliminate duplicates Z: 12 9.704 1.745 0.414 0.787 0.818 0.727 CA 1.126 9 residues pruned to eliminate duplicates Z: 25 12.046 1.834 0.462 0.310 0.833 0.417 CA 1.359 20 residues pruned to eliminate duplicates Z: 13 10.492 2.063 0.002 0.642 0.917 0.750 CB 1.400 13 residues pruned to eliminate duplicates Z: 50 22.408 2.173 0.339 0.315 0.878 0.347 CA 1.539 32 residues pruned to eliminate duplicates Z: 18 12.291 1.960 0.245 0.580 0.824 0.471 CA 1.373 18 residues pruned to eliminate duplicates Z: 22 24.682 1.996 0.431 0.850 0.952 0.810 CA 1.466 22 residues pruned to eliminate duplicates Z: 13 21.471 2.206 0.475 0.883 1.000 0.667 CB 1.377 13 residues pruned to eliminate duplicates Z: 14 16.044 2.051 0.738 0.423 0.769 0.538 N 1.759 4 residues pruned to eliminate duplicates Z: 12 13.297 2.064 0.120 0.782 1.000 0.545 CB 1.353 12 residues pruned to eliminate duplicates Z: 56 26.833 2.146 0.397 0.355 0.945 0.509 CB 1.492 51 residues pruned to eliminate duplicates Z: 20 25.443 2.058 0.616 0.907 0.947 0.579 CA 1.317 Z: 15 21.732 2.023 0.653 0.828 0.857 0.357 CA 1.527 15 residues pruned to eliminate duplicates Z: 11 6.977 1.734 0.516 0.425 0.900 0.500 CB 1.009 8 residues pruned to eliminate duplicates Z: 7 7.537 1.747 0.325 0.673 0.833 0.667 CA 1.360 11 residues pruned to eliminate duplicates Z: 6 4.939 1.834 0.008 0.557 1.000 0.400 CB 1.130 Z: 12 11.030 1.885 0.670 0.503 0.909 0.636 CB 1.159 19 residues pruned to eliminate duplicates Z: 24 20.293 2.265 0.635 0.281 0.957 0.348 CA 1.529 24 residues pruned to eliminate duplicates Z: 18 8.355 1.562 0.299 0.389 0.824 0.412 CB 1.364 18 residues pruned to eliminate duplicates Z: 22 28.769 1.975 0.544 0.868 0.952 0.571 CA 1.581 22 residues pruned to eliminate duplicates Z: 7 6.702 1.688 0.430 0.633 1.000 0.667 CB 1.000 7 residues pruned to eliminate duplicates Z: 35 20.481 2.009 0.333 0.423 0.912 0.559 CA 1.557 25 residues pruned to eliminate duplicates Z: 31 14.915 2.034 0.314 0.393 0.867 0.567 CB 1.316 31 residues pruned to eliminate duplicates Z: 9 8.215 1.987 0.530 0.433 0.875 0.500 CB 1.171 4 residues pruned to eliminate duplicates Z: 7 8.807 1.783 0.520 0.779 1.000 0.667 CB 1.037 Z: 22 32.229 1.974 0.604 0.917 1.000 0.810 CA 1.568 22 residues pruned to eliminate duplicates Z: 20 26.101 2.144 0.516 0.866 0.947 0.737 CB 1.424 20 residues pruned to eliminate duplicates Z: 21 16.765 2.014 0.365 0.541 0.900 0.700 CB 1.456 21 residues pruned to eliminate duplicates Z: 10 7.797 1.812 0.138 0.695 0.778 0.778 CA 1.355 10 residues pruned to eliminate duplicates Z: 23 12.020 1.772 0.347 0.355 0.955 0.455 CB 1.315 23 residues pruned to eliminate duplicates Z: 9 19.179 1.973 0.980 0.645 1.000 0.750 CA 1.515 8 residues pruned to eliminate duplicates Z: 20 21.806 2.101 0.443 0.568 1.000 0.526 CB 1.546 18 residues pruned to eliminate duplicates Z: 7 17.278 2.195 1.112 0.509 1.000 0.500 CB 1.508 7 residues pruned to eliminate duplicates Z: 10 6.141 1.753 0.408 0.405 0.778 0.444 C 1.178 Z: 10 12.985 2.156 0.154 0.836 0.889 0.778 CA 1.464 10 residues pruned to eliminate duplicates Z: 9 3.547 1.749 0.041 0.577 0.750 0.750 CB 0.853 Z: 20 17.820 2.090 0.310 0.529 0.947 0.684 CB 1.533 21 residues pruned to eliminate duplicates Z: 18 28.450 2.104 0.836 0.899 1.000 0.824 CA 1.277 19 residues pruned to eliminate duplicates Z: 51 22.437 2.144 0.420 0.314 0.880 0.520 CA 1.455 51 residues pruned to eliminate duplicates Z: 6 6.751 1.911 0.309 0.586 0.800 0.800 CA 1.389 6 residues pruned to eliminate duplicates Z: 15 14.005 2.104 0.360 0.341 1.000 0.571 CA 1.555 15 residues pruned to eliminate duplicates Z: 17 22.565 2.056 0.539 0.857 1.000 0.750 CB 1.313 17 residues pruned to eliminate duplicates Z: 6 3.001 1.812 -0.132 0.664 0.800 0.800 CB 0.917 Z: 45 33.814 2.066 0.570 0.574 0.909 0.614 CA 1.609 45 residues pruned to eliminate duplicates Z: 19 10.066 2.039 0.135 0.425 0.833 0.500 CB 1.330 19 residues pruned to eliminate duplicates Z: 17 36.181 2.179 0.962 0.901 0.938 0.750 CB 1.610 17 residues pruned to eliminate duplicates Z: 11 12.386 2.248 -0.023 0.846 0.900 0.900 CB 1.473 11 residues pruned to eliminate duplicates Z: 23 28.730 2.004 0.437 0.911 1.000 0.909 CA 1.507 23 residues pruned to eliminate duplicates Z: 16 25.722 2.083 0.605 0.886 0.933 0.800 CA 1.536 16 residues pruned to eliminate duplicates Z: 27 15.194 2.139 0.301 0.371 0.846 0.462 CB 1.453 27 residues pruned to eliminate duplicates Z: 7 7.786 1.936 -0.034 0.598 1.000 0.667 CA 1.549 7 residues pruned to eliminate duplicates Z: 7 4.651 1.772 0.206 0.495 0.667 0.500 C 1.340 Z: 22 14.165 2.031 0.124 0.519 0.952 0.619 CB 1.394 22 residues pruned to eliminate duplicates Z: 14 22.901 2.194 0.532 0.898 1.000 0.923 CA 1.352 14 residues pruned to eliminate duplicates Z: 11 16.950 2.272 0.382 0.846 0.900 0.700 CB 1.410 11 residues pruned to eliminate duplicates Z: 20 8.465 1.772 0.467 0.265 0.842 0.526 CB 1.159 20 residues pruned to eliminate duplicates Z: 18 17.135 2.004 0.618 0.881 0.882 0.529 CA 1.052 18 residues pruned to eliminate duplicates Z: 33 17.612 1.929 0.417 0.557 0.938 0.688 CA 1.150 33 residues pruned to eliminate duplicates Z: 10 11.376 1.967 0.566 0.369 0.889 0.444 CA 1.595 Z: 22 18.713 2.028 0.301 0.601 0.952 0.667 CA 1.477 21 residues pruned to eliminate duplicates Z: 13 13.738 1.831 0.673 0.503 0.917 0.417 CB 1.409 13 residues pruned to eliminate duplicates Z: 23 32.369 2.015 0.775 0.827 1.000 0.545 CA 1.455 23 residues pruned to eliminate duplicates Z: 10 9.069 1.960 0.337 0.545 0.778 0.667 CB 1.420 10 residues pruned to eliminate duplicates Z: 8 3.521 1.640 0.260 0.214 0.857 0.571 CB 1.053 Z: 24 13.444 1.788 0.345 0.460 1.000 0.565 CB 1.214 24 residues pruned to eliminate duplicates Z: 11 8.721 1.836 0.478 0.331 0.900 0.400 CB 1.358 11 residues pruned to eliminate duplicates Z: 18 28.532 2.164 0.820 0.885 1.000 0.647 CB 1.268 18 residues pruned to eliminate duplicates Z: 12 21.521 2.201 0.569 0.889 1.000 0.818 CB 1.352 12 residues pruned to eliminate duplicates Z: 10 11.405 1.958 0.965 0.869 0.667 0.556 CB 1.083 10 residues pruned to eliminate duplicates Z: 8 4.030 1.252 0.675 0.608 0.857 0.571 C 0.765 Z: 19 10.483 1.896 0.188 0.423 0.889 0.444 CB 1.338 13 residues pruned to eliminate duplicates Z: 8 4.146 1.592 -0.007 0.508 1.000 0.429 CB 0.983 6 residues pruned to eliminate duplicates Z: 12 7.908 1.724 0.475 0.481 0.727 0.455 N 1.315 10 residues pruned to eliminate duplicates Z: 14 14.962 2.152 0.158 0.873 1.000 0.769 CB 1.214 14 residues pruned to eliminate duplicates Z: 9 14.617 2.161 0.059 0.846 1.000 0.500 CA 1.678 9 residues pruned to eliminate duplicates Z: 8 8.607 1.854 0.095 0.748 1.000 0.857 CA 1.285 Z: 17 11.129 1.834 0.515 0.404 0.938 0.562 CA 1.181 12 residues pruned to eliminate duplicates Z: 7 5.248 1.907 0.062 0.452 1.000 0.667 CA 1.112 Z: 12 16.935 1.982 0.584 0.844 0.909 0.545 CB 1.331 12 residues pruned to eliminate duplicates Z: 30 13.941 1.890 0.241 0.365 0.966 0.448 CB 1.322 30 residues pruned to eliminate duplicates Z: 48 36.545 2.184 0.622 0.643 0.872 0.362 CB 1.509 48 residues pruned to eliminate duplicates Z: 26 13.861 1.876 0.498 0.382 0.880 0.600 CB 1.271 27 residues pruned to eliminate duplicates Z: 12 6.593 1.838 0.315 0.248 0.818 0.545 N 1.343 12 residues pruned to eliminate duplicates Z: 11 12.590 2.159 0.110 0.565 1.000 0.400 CB 1.561 11 residues pruned to eliminate duplicates Z: 8 19.639 1.953 1.094 0.687 1.000 0.714 CB 1.529 8 residues pruned to eliminate duplicates Z: 10 6.001 1.739 0.623 0.596 0.889 0.667 CB 0.727 Z: 9 7.884 1.929 0.268 0.471 0.875 0.500 CB 1.342 9 residues pruned to eliminate duplicates Z: 10 11.919 1.742 0.332 0.625 1.000 0.778 CB 1.522 10 residues pruned to eliminate duplicates Z: 30 24.983 1.975 0.538 0.674 0.897 0.690 CB 1.450 30 residues pruned to eliminate duplicates 7 1.461 1.675 -0.053 0.243 0.500 0.333 CB 1.012 ? Z: 11 9.942 1.749 0.352 0.495 1.000 0.500 N 1.337 12 residues pruned to eliminate duplicates Z: 9 15.855 2.039 0.445 0.744 1.000 0.625 CB 1.529 9 residues pruned to eliminate duplicates Z: 21 20.423 1.906 0.807 0.860 0.900 0.450 CA 1.083 21 residues pruned to eliminate duplicates Z: 9 10.750 1.746 0.714 0.861 1.000 0.875 CA 0.933 9 residues pruned to eliminate duplicates Z: 14 18.244 2.235 0.349 0.862 0.846 0.692 CA 1.456 14 residues pruned to eliminate duplicates Z: 9 3.682 1.541 0.019 0.264 1.000 0.375 CB 1.085 Z: 9 4.967 1.940 0.062 0.363 0.750 0.500 CB 1.317 9 residues pruned to eliminate duplicates Z: 6 4.143 1.854 -0.073 0.620 1.000 0.800 CB 0.963 6 residues pruned to eliminate duplicates Z: 10 14.497 1.963 0.420 0.667 1.000 0.778 CA 1.485 15 residues pruned to eliminate duplicates Z: 10 5.924 1.762 0.107 0.809 0.778 0.333 CA 0.994 10 residues pruned to eliminate duplicates Z: 13 10.434 2.079 0.138 0.439 0.917 0.417 CB 1.478 13 residues pruned to eliminate duplicates Z: 8 7.276 1.587 0.601 0.518 1.000 0.714 CA 1.063 Z: 7 11.906 1.949 0.181 0.804 1.000 0.667 CB 1.619 7 residues pruned to eliminate duplicates Z: 10 2.215 1.414 -0.027 0.405 0.778 0.333 N 0.763 Z: 10 12.574 1.880 1.382 0.328 0.778 0.444 N 1.453 10 residues pruned to eliminate duplicates Z: 13 18.077 2.012 0.381 0.831 0.917 0.667 CB 1.539 13 residues pruned to eliminate duplicates Z: 12 17.133 2.125 0.171 0.896 1.000 1.000 CB 1.488 12 residues pruned to eliminate duplicates Z: 12 7.775 1.775 0.153 0.472 0.818 0.545 N 1.440 12 residues pruned to eliminate duplicates Z: 30 13.565 2.052 0.363 0.241 0.897 0.448 CB 1.357 30 residues pruned to eliminate duplicates Z: 23 30.300 1.995 0.600 0.850 0.955 0.727 CA 1.570 23 residues pruned to eliminate duplicates Z: 7 6.728 1.813 0.577 0.640 0.833 0.833 CA 1.012 5 residues pruned to eliminate duplicates Z: 8 14.034 1.717 0.786 0.828 1.000 0.714 N 1.303 8 residues pruned to eliminate duplicates Z: 20 14.465 1.982 0.256 0.504 0.947 0.526 CB 1.402 20 residues pruned to eliminate duplicates Z: 20 22.607 2.010 0.778 0.886 0.895 0.421 CA 1.170 20 residues pruned to eliminate duplicates Z: 45 18.168 2.104 0.250 0.341 0.818 0.386 CB 1.513 45 residues pruned to eliminate duplicates Z: 12 12.755 1.653 0.820 0.762 1.000 0.636 CA 1.013 12 residues pruned to eliminate duplicates Z: 9 17.057 1.894 0.566 0.856 1.000 0.500 CA 1.499 10 residues pruned to eliminate duplicates Z: 38 27.423 2.050 0.557 0.614 0.838 0.568 CA 1.514 38 residues pruned to eliminate duplicates Z: 18 23.349 1.972 0.808 0.917 0.941 0.824 CA 1.191 18 residues pruned to eliminate duplicates Z: 10 5.279 1.799 0.119 0.372 1.000 0.333 CA 1.002 7 residues pruned to eliminate duplicates Z: 36 21.834 2.055 0.326 0.466 0.886 0.600 CA 1.583 36 residues pruned to eliminate duplicates Z: 8 3.287 1.470 0.117 0.298 0.857 0.571 CA 1.106 6 residues pruned to eliminate duplicates Z: 9 9.755 1.848 0.593 0.520 1.000 0.500 CA 1.148 7 residues pruned to eliminate duplicates Z: 17 20.427 2.059 0.528 0.699 1.000 0.688 CB 1.354 17 residues pruned to eliminate duplicates Z: 13 16.003 2.098 0.202 0.683 0.917 0.750 CB 1.690 13 residues pruned to eliminate duplicates Z: 7 3.844 1.804 0.341 0.348 0.833 0.500 N 0.918 Z: 16 5.746 1.741 0.222 0.264 0.733 0.333 CB 1.244 10 residues pruned to eliminate duplicates Z: 6 5.698 1.738 0.998 0.496 0.600 0.600 CA 1.228 5 residues pruned to eliminate duplicates Z: 6 2.888 1.859 0.089 0.583 1.000 0.600 CB 0.589 6 residues pruned to eliminate duplicates Z: 11 2.639 1.350 0.103 0.459 0.700 0.500 CB 0.835 Z: 6 8.139 1.887 0.592 0.575 1.000 0.600 CB 1.128 Z: 9 6.120 1.611 0.580 0.462 0.750 0.250 N 1.179 7 residues pruned to eliminate duplicates Z: 20 26.087 2.255 0.712 0.908 0.684 0.211 CB 1.610 20 residues pruned to eliminate duplicates Z: 19 27.866 2.127 0.440 0.844 1.000 0.500 CB 1.596 19 residues pruned to eliminate duplicates Z: 17 7.338 1.892 0.341 0.399 0.812 0.500 CB 0.990 17 residues pruned to eliminate duplicates Z: 8 3.079 1.502 0.537 0.549 0.857 0.429 CB 0.561 Z: 10 6.539 1.938 0.234 0.526 0.667 0.222 CA 1.334 10 residues pruned to eliminate duplicates Z: 6 5.426 1.581 0.039 0.746 1.000 0.800 CB 1.186 Z: 14 16.106 2.138 0.530 0.888 0.846 0.462 CA 1.162 14 residues pruned to eliminate duplicates Z: 23 10.243 1.891 0.375 0.395 0.773 0.500 CB 1.214 23 residues pruned to eliminate duplicates Z: 34 20.414 2.146 0.442 0.365 0.879 0.485 CB 1.511 34 residues pruned to eliminate duplicates Z: 6 3.851 1.600 0.061 0.643 1.000 0.800 CB 0.888 Z: 8 8.407 2.056 0.274 0.351 1.000 0.714 CA 1.426 8 residues pruned to eliminate duplicates Z: 11 5.327 1.639 0.160 0.366 0.800 0.500 CA 1.279 11 residues pruned to eliminate duplicates Z: 27 20.777 2.210 0.472 0.339 0.923 0.538 CB 1.616 27 residues pruned to eliminate duplicates Z: 20 28.337 2.032 0.973 0.894 0.947 0.526 CB 1.228 21 residues pruned to eliminate duplicates Z: 18 18.109 2.067 0.530 0.561 0.941 0.765 CB 1.391 18 residues pruned to eliminate duplicates Z: 7 8.639 1.616 0.329 0.818 1.000 0.667 CA 1.247 7 residues pruned to eliminate duplicates Z: 13 22.754 2.197 0.580 0.857 0.917 0.417 CB 1.520 13 residues pruned to eliminate duplicates Z: 7 7.686 1.720 0.441 0.586 0.833 0.500 O 1.399 Z: 17 15.671 1.901 0.518 0.488 0.938 0.500 CA 1.465 15 residues pruned to eliminate duplicates Z: 16 18.480 2.093 0.772 0.886 0.867 0.733 CA 1.072 16 residues pruned to eliminate duplicates Z: 10 8.658 1.679 0.637 0.799 0.778 0.556 CA 1.040 10 residues pruned to eliminate duplicates Z: 12 14.723 1.917 0.283 0.819 1.000 0.818 CA 1.368 12 residues pruned to eliminate duplicates Z: 6 2.242 1.333 0.250 0.713 0.600 0.400 CA 0.827 Z: 12 8.393 1.808 0.189 0.450 0.909 0.364 CA 1.363 12 residues pruned to eliminate duplicates Z: 21 31.640 2.176 0.433 0.888 1.000 0.750 CB 1.635 21 residues pruned to eliminate duplicates Z: 17 21.956 1.979 0.723 0.586 0.875 0.625 CB 1.694 17 residues pruned to eliminate duplicates Z: 17 17.261 1.992 0.686 0.853 0.875 0.438 CA 1.085 17 residues pruned to eliminate duplicates Z: 12 6.975 1.616 0.287 0.431 0.818 0.727 CA 1.327 10 residues pruned to eliminate duplicates Z: 10 9.672 1.709 0.305 0.792 0.778 0.333 CA 1.438 9 residues pruned to eliminate duplicates Z: 11 9.286 1.929 0.371 0.389 0.900 0.500 CB 1.387 9 residues pruned to eliminate duplicates Z: 8 19.359 2.089 0.579 0.767 1.000 0.857 CA 1.751 8 residues pruned to eliminate duplicates Z: 23 28.786 1.962 0.656 0.883 1.000 0.773 CA 1.366 23 residues pruned to eliminate duplicates Z: 21 20.641 1.925 0.596 0.868 1.000 0.700 CA 1.099 20 residues pruned to eliminate duplicates Z: 8 5.677 1.734 -0.057 0.518 1.000 0.571 CA 1.289 8 residues pruned to eliminate duplicates Z: 15 7.075 1.717 0.320 0.451 0.786 0.214 CB 1.117 15 residues pruned to eliminate duplicates Z: 16 12.148 1.935 0.194 0.545 0.867 0.600 CB 1.499 17 residues pruned to eliminate duplicates Z: 20 10.843 1.981 0.256 0.442 0.842 0.368 CB 1.261 20 residues pruned to eliminate duplicates Z: 38 21.125 1.942 0.562 0.595 0.865 0.432 CA 1.209 43 residues pruned to eliminate duplicates Z: 7 6.456 1.495 0.667 0.592 1.000 0.500 CB 0.969 7 residues pruned to eliminate duplicates Z: 7 2.738 1.771 0.004 0.388 0.833 0.333 CB 0.849 Z: 8 4.352 2.017 -0.241 0.468 0.714 0.286 CB 1.553 Z: 11 7.309 1.639 0.845 0.312 0.700 0.400 N 1.346 Z: 13 8.984 1.815 0.626 0.408 0.833 0.333 CB 1.161 13 residues pruned to eliminate duplicates Z: 20 17.112 2.083 0.174 0.559 1.000 0.632 CA 1.515 20 residues pruned to eliminate duplicates Z: 19 18.334 2.038 0.418 0.561 1.000 0.667 CB 1.411 19 residues pruned to eliminate duplicates Z: 20 10.255 1.945 0.308 0.313 0.842 0.421 CB 1.352 20 residues pruned to eliminate duplicates Z: 17 17.722 2.043 0.192 0.820 0.875 0.625 CA 1.575 17 residues pruned to eliminate duplicates Z: 7 6.015 1.529 0.413 0.514 1.000 0.333 C 1.120 Z: 9 6.529 1.577 0.565 0.452 1.000 0.625 CA 0.983 8 residues pruned to eliminate duplicates 8 1.472 1.425 0.278 0.284 0.857 0.429 CB 0.455 ? Z: 6 6.180 1.592 0.420 0.572 1.000 0.600 CB 1.141 6 residues pruned to eliminate duplicates Z: 6 3.661 1.481 0.453 0.650 0.800 0.600 CB 0.827 Z: 17 6.252 1.864 0.197 0.305 0.812 0.562 CB 1.071 17 residues pruned to eliminate duplicates Z: 12 8.681 1.937 0.287 0.474 0.818 0.364 CA 1.318 12 residues pruned to eliminate duplicates Z: 24 10.718 1.934 0.336 0.355 0.783 0.522 CB 1.293 24 residues pruned to eliminate duplicates Z: 24 12.423 2.044 0.293 0.322 0.783 0.522 CB 1.524 25 residues pruned to eliminate duplicates Z: 8 10.906 1.969 0.376 0.624 1.000 0.714 CA 1.353 8 residues pruned to eliminate duplicates Z: 16 11.982 2.023 0.364 0.360 0.933 0.467 CA 1.397 16 residues pruned to eliminate duplicates Z: 6 4.518 1.443 0.793 0.586 0.800 0.400 CB 0.899 7 1.108 1.356 0.240 0.507 0.833 0.500 CB 0.321 ? Z: 30 14.846 2.050 0.370 0.354 0.862 0.414 CB 1.333 30 residues pruned to eliminate duplicates Z: 8 8.497 1.854 0.426 0.740 0.857 0.286 CB 1.142 8 residues pruned to eliminate duplicates Z: 18 9.189 1.892 0.251 0.418 0.882 0.471 CA 1.163 18 residues pruned to eliminate duplicates Z: 23 16.552 2.082 0.368 0.639 0.955 0.636 CA 1.140 23 residues pruned to eliminate duplicates Z: 12 8.749 1.872 0.247 0.479 1.000 0.182 CB 1.154 9 residues pruned to eliminate duplicates Z: 30 26.372 2.045 0.504 0.628 0.897 0.724 CB 1.575 30 residues pruned to eliminate duplicates Z: 10 7.170 1.623 0.205 0.607 0.889 0.667 CB 1.242 9 residues pruned to eliminate duplicates Z: 25 12.360 1.867 0.291 0.315 0.917 0.500 CA 1.402 25 residues pruned to eliminate duplicates Z: 8 5.447 1.583 0.261 0.609 1.000 0.857 N 0.930 8 residues pruned to eliminate duplicates Z: 23 19.986 2.173 0.575 0.406 0.909 0.591 CA 1.511 23 residues pruned to eliminate duplicates Z: 6 4.331 1.724 0.605 0.439 0.800 0.600 CB 0.931 6 0.934 1.482 -0.414 0.289 0.600 0.400 N 1.016 ? Z: 8 3.676 1.638 0.299 0.325 0.714 0.286 N 1.108 8 residues pruned to eliminate duplicates Z: 12 11.170 2.161 0.196 0.392 0.909 0.455 CA 1.608 12 residues pruned to eliminate duplicates Z: 6 2.072 1.480 0.442 0.436 0.800 0.800 CB 0.580 6 residues pruned to eliminate duplicates Z: 6 5.930 1.465 0.526 0.555 1.000 0.600 CA 1.125 Z: 8 6.408 1.426 0.291 0.666 1.000 0.286 N 1.128 8 residues pruned to eliminate duplicates Z: 19 22.326 2.006 0.805 0.897 0.944 0.444 CA 1.102 19 residues pruned to eliminate duplicates Z: 6 2.374 1.289 0.503 0.686 0.800 0.800 C 0.578 Z: 22 19.663 2.066 0.770 0.390 0.857 0.524 CA 1.538 22 residues pruned to eliminate duplicates 6 1.779 1.316 0.507 0.449 0.600 0.600 CA 0.705 ? Z: 6 3.169 1.828 -0.346 0.766 0.800 0.800 CB 1.172 4 residues pruned to eliminate duplicates Z: 6 2.408 1.551 0.243 0.370 0.800 0.400 CB 0.803 Z: 23 18.210 2.017 0.641 0.471 0.909 0.636 CB 1.329 23 residues pruned to eliminate duplicates Z: 8 2.165 1.338 0.321 0.250 0.571 0.429 CA 1.081 6 0.513 0.985 0.269 0.367 0.600 0.400 N 0.353 ? Z: 10 9.940 1.649 0.885 0.738 0.889 0.556 CA 0.969 10 residues pruned to eliminate duplicates Z: 11 6.697 1.819 0.122 0.478 0.900 0.600 CB 1.179 8 residues pruned to eliminate duplicates Z: 12 13.825 2.029 0.313 0.867 0.909 0.545 CB 1.259 12 residues pruned to eliminate duplicates Z: 14 14.310 1.892 0.521 0.543 0.846 0.308 CA 1.563 14 residues pruned to eliminate duplicates Z: 10 7.971 1.964 0.403 0.435 0.778 0.667 CA 1.326 10 residues pruned to eliminate duplicates Z: 17 11.133 1.831 0.362 0.385 0.875 0.438 CA 1.441 16 residues pruned to eliminate duplicates Z: 6 3.125 1.382 0.171 0.423 0.800 0.400 C 1.169 Z: 7 6.487 1.756 0.785 0.598 0.667 0.667 N 1.154 7 residues pruned to eliminate duplicates 6 1.407 1.390 0.635 0.203 0.600 0.200 CB 0.656 ? Z: 8 3.734 1.892 0.264 0.255 0.714 0.429 CA 1.095 8 residues pruned to eliminate duplicates Z: 15 17.060 2.090 0.563 0.617 0.929 0.786 CB 1.345 15 residues pruned to eliminate duplicates Z: 11 9.693 1.775 0.441 0.428 1.000 0.500 CB 1.291 11 residues pruned to eliminate duplicates Z: 21 34.869 2.050 0.916 0.872 0.900 0.450 CA 1.608 21 residues pruned to eliminate duplicates Z: 8 3.470 1.502 0.739 0.288 0.714 0.429 CB 0.892 Z: 9 4.675 1.700 0.156 0.387 0.750 0.375 CA 1.263 9 residues pruned to eliminate duplicates Z: 6 4.398 1.542 0.593 0.492 1.000 0.400 CB 0.807 Z: 43 30.490 2.010 0.487 0.593 0.929 0.595 CA 1.550 34 residues pruned to eliminate duplicates Z: 11 4.224 1.577 0.003 0.355 0.800 0.500 CB 1.234 11 residues pruned to eliminate duplicates Z: 7 3.055 1.783 0.022 0.374 0.833 0.667 CB 0.940 Z: 16 15.425 1.938 0.744 0.516 0.867 0.600 CA 1.338 16 residues pruned to eliminate duplicates Z: 13 6.677 1.683 0.244 0.341 0.917 0.583 CB 1.195 14 residues pruned to eliminate duplicates Z: 16 11.309 1.897 0.234 0.517 0.933 0.467 CA 1.314 16 residues pruned to eliminate duplicates Z: 6 3.871 1.797 0.353 0.629 1.000 0.800 CB 0.631 6 residues pruned to eliminate duplicates Z: 6 6.873 1.978 -0.077 0.858 0.800 0.400 CA 1.549 6 residues pruned to eliminate duplicates Z: 10 2.977 1.433 0.751 0.171 0.556 0.333 N 1.061 Z: 12 7.566 1.866 0.474 0.327 0.818 0.364 CB 1.225 12 residues pruned to eliminate duplicates Z: 7 2.693 1.398 0.180 0.240 1.000 0.667 N 0.901 7 residues pruned to eliminate duplicates Z: 16 6.337 1.735 0.338 0.357 0.733 0.267 CB 1.122 15 residues pruned to eliminate duplicates 6 1.483 1.296 0.254 0.100 0.800 0.400 CA 0.850 ? Z: 13 8.585 1.837 0.619 0.519 0.833 0.500 CB 0.981 Z: 9 4.210 1.677 -0.048 0.424 0.875 0.750 N 1.154 Z: 11 3.500 1.605 0.194 0.276 0.700 0.300 CB 1.063 Z: 6 5.173 1.464 0.895 0.467 0.800 0.400 N 1.079 Z: 6 2.872 1.413 0.403 0.443 1.000 0.600 CB 0.687 Z: 17 13.683 1.878 0.575 0.908 0.875 0.688 CA 0.939 17 residues pruned to eliminate duplicates Z: 9 5.265 1.958 -0.069 0.305 0.875 0.375 CB 1.450 9 residues pruned to eliminate duplicates Z: 11 3.097 1.193 0.412 0.431 0.700 0.400 C 0.892 Z: 16 10.385 1.933 0.191 0.474 0.933 0.600 CB 1.280 16 residues pruned to eliminate duplicates Z: 21 15.526 1.862 0.513 0.821 0.950 0.600 CA 0.982 21 residues pruned to eliminate duplicates Z: 18 9.692 1.986 0.258 0.365 0.882 0.471 CA 1.232 18 residues pruned to eliminate duplicates Z: 33 18.395 2.046 0.185 0.471 0.938 0.625 CA 1.473 33 residues pruned to eliminate duplicates Z: 10 8.070 1.693 0.596 0.519 1.000 0.333 CB 0.977 Z: 8 3.589 1.717 0.155 0.254 1.000 0.286 CB 0.907 8 residues pruned to eliminate duplicates Z: 6 10.651 1.881 0.686 0.722 1.000 0.800 CB 1.229 6 residues pruned to eliminate duplicates Z: 39 33.117 2.132 0.702 0.574 0.895 0.579 CA 1.540 39 residues pruned to eliminate duplicates Z: 35 17.313 1.947 0.433 0.506 0.824 0.500 CA 1.284 33 residues pruned to eliminate duplicates Z: 6 4.076 1.835 0.240 0.385 0.800 0.600 CA 1.131 6 residues pruned to eliminate duplicates Z: 6 14.792 1.851 0.684 0.865 1.000 0.600 C 1.555 6 residues pruned to eliminate duplicates Z: 8 3.537 1.267 0.329 0.380 1.000 0.429 C 0.902 8 residues pruned to eliminate duplicates Z: 13 7.696 1.767 0.492 0.473 0.750 0.500 CB 1.154 Z: 8 2.541 1.697 -0.064 0.251 0.857 0.429 CB 0.938 8 residues pruned to eliminate duplicates Z: 30 15.937 2.167 0.385 0.279 0.828 0.483 CA 1.529 30 residues pruned to eliminate duplicates Z: 9 3.938 1.441 0.457 0.287 0.750 0.500 C 1.123 11 residues pruned to eliminate duplicates 6 1.849 1.166 0.813 0.215 1.000 0.800 CB 0.547 ? Z: 40 22.747 2.137 0.426 0.375 0.897 0.487 CB 1.522 40 residues pruned to eliminate duplicates Z: 11 17.035 2.243 0.152 0.837 0.900 0.700 CB 1.733 11 residues pruned to eliminate duplicates Z: 16 4.588 1.603 0.200 0.187 0.667 0.400 CB 1.345 16 residues pruned to eliminate duplicates Z: 9 9.151 1.899 0.076 0.792 1.000 0.625 CB 1.225 9 residues pruned to eliminate duplicates Z: 10 6.387 1.719 0.340 0.372 0.889 0.667 CB 1.192 10 residues pruned to eliminate duplicates Z: 17 12.587 2.038 0.137 0.475 0.938 0.562 CB 1.487 17 residues pruned to eliminate duplicates Z: 14 8.869 2.082 0.264 0.885 0.538 0.231 CB 1.253 14 residues pruned to eliminate duplicates Z: 13 8.709 2.129 0.274 0.301 0.833 0.417 CB 1.389 13 residues pruned to eliminate duplicates Z: 16 20.199 2.026 0.692 0.639 1.000 0.800 CB 1.336 16 residues pruned to eliminate duplicates Z: 10 19.954 2.087 0.702 0.857 1.000 0.667 CA 1.380 10 residues pruned to eliminate duplicates Z: 7 2.382 1.688 -0.165 0.632 1.000 0.667 CB 0.610 7 residues pruned to eliminate duplicates Z: 6 3.796 1.464 0.545 0.437 0.800 0.400 CB 1.001 Z: 22 22.341 2.114 0.775 0.628 0.810 0.476 CA 1.423 22 residues pruned to eliminate duplicates Z: 45 19.917 2.147 0.258 0.360 0.841 0.432 CA 1.537 45 residues pruned to eliminate duplicates 8 1.786 1.497 0.487 0.326 0.714 0.286 CB 0.514 ? Z: 16 6.820 1.869 0.191 0.338 0.667 0.400 CB 1.416 16 residues pruned to eliminate duplicates Z: 6 5.233 1.455 0.404 0.497 1.000 0.400 O 1.149 Z: 14 13.440 2.039 0.182 0.542 1.000 0.615 CB 1.484 14 residues pruned to eliminate duplicates Z: 6 3.011 1.679 0.018 0.339 0.800 0.400 CB 1.174 Z: 6 11.991 2.074 0.568 0.797 0.800 0.400 CA 1.589 6 residues pruned to eliminate duplicates Z: 14 7.566 1.815 0.067 0.413 0.846 0.615 CB 1.403 14 residues pruned to eliminate duplicates Z: 15 10.458 1.925 0.216 0.409 0.929 0.500 CA 1.415 15 residues pruned to eliminate duplicates Z: 12 5.818 1.707 -0.022 0.574 1.000 0.727 CB 0.979 12 residues pruned to eliminate duplicates Z: 11 10.209 2.014 0.277 0.461 1.000 0.500 CA 1.306 11 residues pruned to eliminate duplicates Z: 9 3.775 1.587 0.041 0.363 0.750 0.250 CB 1.248 9 residues pruned to eliminate duplicates Z: 8 2.250 1.477 0.203 0.350 0.857 0.286 CB 0.657 Z: 20 32.837 2.253 0.682 0.901 0.842 0.421 CB 1.684 20 residues pruned to eliminate duplicates Z: 9 6.499 1.606 0.350 0.442 0.875 0.625 C 1.286 Z: 12 5.405 1.669 0.486 0.401 0.636 0.636 CB 1.146 11 residues pruned to eliminate duplicates Z: 6 3.042 1.484 0.101 0.509 0.800 0.600 O 1.031 Z: 10 6.787 1.579 0.354 0.383 0.889 0.333 N 1.348 Z: 6 10.368 1.702 0.856 0.774 0.800 0.600 O 1.440 6 residues pruned to eliminate duplicates Z: 8 6.669 1.559 0.617 0.708 0.857 0.714 N 0.965 Z: 9 3.634 1.703 0.246 0.291 0.625 0.250 C 1.225 9 residues pruned to eliminate duplicates Z: 9 3.913 1.493 0.337 0.506 0.875 0.500 CB 0.787 10 residues pruned to eliminate duplicates Z: 16 12.255 1.969 0.220 0.644 0.800 0.533 CB 1.440 16 residues pruned to eliminate duplicates Z: 12 17.507 1.768 0.810 0.869 0.909 0.636 CA 1.326 12 residues pruned to eliminate duplicates Z: 13 9.391 1.985 0.291 0.399 0.833 0.250 CB 1.411 13 residues pruned to eliminate duplicates Z: 22 22.589 2.009 0.328 0.838 0.905 0.667 CA 1.527 22 residues pruned to eliminate duplicates Z: 8 2.047 1.483 0.003 0.302 0.571 0.143 CA 1.136 Z: 9 2.376 1.465 0.427 0.255 0.500 0.125 CB 1.064 Z: 29 14.151 1.896 0.482 0.382 0.857 0.643 CB 1.259 29 residues pruned to eliminate duplicates Z: 21 21.717 2.127 0.443 0.881 0.950 0.700 CA 1.206 21 residues pruned to eliminate duplicates Z: 10 3.739 1.456 0.694 0.434 0.778 0.556 CB 0.695 Z: 11 12.004 1.912 0.337 0.534 1.000 0.500 CA 1.436 11 residues pruned to eliminate duplicates Z: 20 17.267 1.999 0.453 0.479 1.000 0.421 CB 1.393 20 residues pruned to eliminate duplicates Z: 6 3.064 1.733 0.573 0.561 1.000 0.800 CB 0.474 Z: 22 14.045 1.938 0.318 0.381 0.952 0.619 CA 1.430 22 residues pruned to eliminate duplicates Z: 8 6.852 1.701 0.366 0.781 0.857 0.571 CA 1.015 8 residues pruned to eliminate duplicates Z: 11 3.031 1.428 0.203 0.186 0.800 0.400 N 1.017 6 1.389 1.505 -0.072 0.264 0.600 0.400 CB 0.970 ? Z: 11 9.158 1.866 0.475 0.567 1.000 0.700 CB 0.986 14 residues pruned to eliminate duplicates Z: 38 33.240 2.198 0.423 0.652 0.946 0.811 CB 1.602 38 residues pruned to eliminate duplicates Z: 9 14.179 2.047 0.349 0.767 1.000 1.000 CB 1.433 9 residues pruned to eliminate duplicates Z: 13 9.763 1.853 0.760 0.824 0.667 0.333 CA 0.979 13 residues pruned to eliminate duplicates Z: 6 4.404 1.358 1.170 0.537 0.800 0.400 N 0.806 Z: 6 3.299 1.294 0.354 0.622 0.800 0.600 C 0.938 6 1.895 1.041 0.662 0.598 0.800 0.800 C 0.558 ? Z: 14 8.245 1.880 0.163 0.331 0.846 0.308 N 1.488 14 residues pruned to eliminate duplicates Z: 15 12.487 1.968 0.570 0.473 0.929 0.571 CA 1.195 15 residues pruned to eliminate duplicates Z: 24 15.150 2.015 0.326 0.479 0.870 0.435 CB 1.388 24 residues pruned to eliminate duplicates Z: 6 2.643 1.581 0.309 0.463 0.600 0.400 C 0.989 Z: 7 11.234 2.168 0.217 0.597 1.000 0.667 CA 1.584 7 residues pruned to eliminate duplicates Z: 28 19.348 2.184 0.479 0.330 0.889 0.481 CB 1.562 28 residues pruned to eliminate duplicates Z: 6 2.290 1.446 0.187 0.451 1.000 0.400 CA 0.627 Z: 16 9.576 1.779 0.441 0.472 0.800 0.600 CA 1.241 16 residues pruned to eliminate duplicates Z: 6 3.671 1.733 0.038 0.606 1.000 0.600 CB 0.825 6 residues pruned to eliminate duplicates Z: 10 7.483 1.973 0.426 0.425 0.667 0.333 CA 1.437 10 residues pruned to eliminate duplicates Z: 9 4.372 1.395 0.068 0.478 1.000 0.500 N 1.062 Z: 8 3.968 1.604 0.135 0.531 1.000 0.571 CB 0.800 8 residues pruned to eliminate duplicates Z: 23 30.626 1.969 0.657 0.889 1.000 0.727 CB 1.441 23 residues pruned to eliminate duplicates Z: 6 4.992 1.699 0.010 0.624 0.800 0.600 CB 1.446 6 residues pruned to eliminate duplicates Z: 10 16.452 2.248 0.318 0.652 0.889 0.667 CB 1.807 10 residues pruned to eliminate duplicates Z: 6 3.649 1.399 0.796 0.594 0.800 0.600 CA 0.742 6 1.921 1.336 0.653 0.454 0.400 0.400 CA 1.019 ? Z: 8 6.056 1.392 0.761 0.527 0.857 0.571 O 1.061 Z: 8 7.206 1.827 0.298 0.404 0.857 0.714 CA 1.482 16 residues pruned to eliminate duplicates Z: 7 3.279 1.717 0.049 0.352 0.667 0.333 CB 1.309 7 residues pruned to eliminate duplicates Z: 12 7.390 1.679 0.260 0.537 0.909 0.727 CB 1.117 10 residues pruned to eliminate duplicates Z: 6 2.440 1.351 0.329 0.402 0.800 0.400 CB 0.843 6 residues pruned to eliminate duplicates Z: 8 3.285 1.691 0.307 0.584 0.857 0.571 CB 0.605 8 residues pruned to eliminate duplicates Z: 10 9.728 1.757 0.435 0.736 0.889 0.778 CB 1.171 12 residues pruned to eliminate duplicates Z: 7 5.143 1.476 0.387 0.549 0.833 0.500 N 1.173 Z: 40 18.136 2.061 0.285 0.406 0.897 0.513 CB 1.349 40 residues pruned to eliminate duplicates Z: 11 11.641 2.280 0.454 0.225 1.000 0.500 CB 1.532 11 residues pruned to eliminate duplicates Z: 8 8.543 1.825 0.356 0.579 1.000 0.857 CB 1.209 8 residues pruned to eliminate duplicates Z: 11 4.045 1.465 0.313 0.303 0.800 0.200 CB 1.034 Z: 8 2.564 1.420 0.056 0.420 0.714 0.429 N 0.984 Z: 13 15.844 1.885 0.529 0.542 1.000 0.667 CA 1.523 13 residues pruned to eliminate duplicates Z: 12 7.929 1.853 0.381 0.521 0.818 0.545 CA 1.118 12 residues pruned to eliminate duplicates Z: 42 28.845 2.036 0.450 0.555 0.951 0.585 CB 1.520 42 residues pruned to eliminate duplicates Z: 17 10.496 1.840 0.646 0.384 0.812 0.625 CA 1.207 17 residues pruned to eliminate duplicates Z: 7 6.588 1.531 0.582 0.630 0.833 0.333 CA 1.179 7 residues pruned to eliminate duplicates Z: 8 7.008 1.547 0.551 0.503 0.857 0.571 CB 1.284 Z: 14 11.958 1.919 0.555 0.448 0.923 0.692 CB 1.271 14 residues pruned to eliminate duplicates Z: 7 2.744 1.348 0.731 0.346 0.667 0.333 CA 0.851 Z: 6 2.220 1.529 0.390 0.251 0.600 0.600 N 1.036 4 residues pruned to eliminate duplicates Z: 7 3.067 1.255 0.578 0.356 0.833 0.333 C 0.886 Z: 19 19.894 1.852 0.602 0.732 0.944 0.778 CA 1.357 19 residues pruned to eliminate duplicates Z: 7 4.199 1.772 -0.095 0.677 0.833 0.667 CB 1.090 7 residues pruned to eliminate duplicates Z: 15 15.177 1.887 0.455 0.580 0.929 0.571 CB 1.474 15 residues pruned to eliminate duplicates Z: 7 2.962 1.400 0.618 0.260 0.667 0.500 CA 1.053 Z: 9 7.746 1.746 0.545 0.390 0.875 0.500 CB 1.303 9 residues pruned to eliminate duplicates Z: 7 3.112 1.198 0.051 0.575 1.000 0.667 N 0.938 Z: 33 32.116 2.192 0.541 0.654 0.875 0.531 CB 1.665 33 residues pruned to eliminate duplicates Z: 7 4.296 1.916 -0.047 0.414 0.833 0.667 CA 1.261 7 residues pruned to eliminate duplicates Z: 19 12.490 1.879 0.423 0.375 0.889 0.556 CB 1.415 17 residues pruned to eliminate duplicates Z: 6 6.413 1.593 0.478 0.611 1.000 0.800 N 1.096 6 1.508 1.500 0.158 0.466 1.000 0.400 CB 0.402 ? Z: 6 2.235 1.349 0.247 0.190 0.800 0.200 CB 1.076 Z: 27 17.342 1.878 0.621 0.659 0.962 0.577 CA 1.002 27 residues pruned to eliminate duplicates Z: 6 6.106 1.676 0.606 0.509 1.000 0.200 CB 1.006 6 0.887 1.152 0.717 0.463 0.800 0.800 CB 0.260 ? Z: 7 3.811 1.195 0.349 0.675 1.000 0.833 CB 0.822 Z: 6 2.624 1.404 0.407 0.391 1.000 0.600 CA 0.666 Z: 9 4.238 1.307 0.344 0.391 0.875 0.625 CB 1.094 Z: 8 12.676 1.776 1.022 0.802 0.857 0.286 CA 1.195 8 residues pruned to eliminate duplicates Z: 46 30.293 2.031 0.595 0.646 0.933 0.444 CA 1.304 46 residues pruned to eliminate duplicates Z: 8 3.939 1.480 0.391 0.349 0.714 0.429 CA 1.192 Z: 18 17.321 1.836 0.473 0.761 1.000 0.765 CA 1.232 18 residues pruned to eliminate duplicates Z: 9 6.520 1.852 0.576 0.530 0.750 0.750 CA 1.022 9 residues pruned to eliminate duplicates 7 1.710 1.407 0.025 0.502 0.667 0.667 CB 0.725 ? Z: 19 10.403 2.154 0.264 0.275 0.833 0.333 CB 1.395 19 residues pruned to eliminate duplicates Z: 13 9.438 1.673 0.829 0.471 0.750 0.500 CB 1.223 13 residues pruned to eliminate duplicates 7 1.887 1.306 0.191 0.279 0.667 0.500 CA 0.955 ? Using tripeptides from previous cycle as seeds Z: 12 6.817 1.939 0.234 0.328 0.818 0.364 CB 1.268 13 residues pruned to eliminate duplicates Z: 10 7.978 1.494 0.284 0.586 1.000 0.667 CA 1.277 7 residues pruned to eliminate duplicates Z: 6 3.686 1.660 -0.123 0.301 1.000 0.800 CB 1.413 5 residues pruned to eliminate duplicates Z: 6 7.141 1.926 0.303 0.320 1.000 0.200 CB 1.552 6 residues pruned to eliminate duplicates Z: 13 9.661 2.045 0.363 0.479 0.667 0.583 CB 1.533 12 residues pruned to eliminate duplicates Z: 7 4.348 1.526 0.720 0.394 0.833 0.667 CA 0.908 7 residues pruned to eliminate duplicates Z: 10 13.191 2.082 0.493 0.383 1.000 0.444 CA 1.602 10 residues pruned to eliminate duplicates Z: 6 2.947 1.817 0.597 0.121 0.800 0.200 CA 0.914 Z: 10 12.088 1.917 0.946 0.620 0.778 0.556 CB 1.240 16 residues pruned to eliminate duplicates Z: 11 11.721 1.935 0.781 0.535 0.700 0.500 CB 1.485 11 residues pruned to eliminate duplicates Z: 12 13.549 1.857 0.757 0.567 0.818 0.364 CB 1.434 12 residues pruned to eliminate duplicates Z: 8 7.167 1.450 0.440 0.807 0.857 0.429 CB 1.158 8 residues pruned to eliminate duplicates Z: 9 20.768 2.064 0.932 0.673 1.000 0.625 CB 1.569 9 residues pruned to eliminate duplicates Z: 6 4.788 1.526 0.165 0.750 1.000 0.800 CA 0.963 5 residues pruned to eliminate duplicates Z: 7 6.790 1.630 0.247 0.686 1.000 0.500 CA 1.150 7 residues pruned to eliminate duplicates Z: 15 8.481 1.933 0.376 0.368 0.714 0.286 CB 1.374 15 residues pruned to eliminate duplicates Z: 18 11.061 1.854 0.259 0.424 0.882 0.412 CB 1.410 18 residues pruned to eliminate duplicates Z: 15 9.312 1.871 0.363 0.409 0.786 0.286 CB 1.366 15 residues pruned to eliminate duplicates Z: 12 9.373 1.790 0.504 0.384 0.818 0.364 CA 1.452 12 residues pruned to eliminate duplicates Z: 10 7.542 1.851 0.348 0.379 0.778 0.333 CB 1.475 10 residues pruned to eliminate duplicates Z: 15 10.258 1.938 0.196 0.418 0.929 0.357 CA 1.388 16 residues pruned to eliminate duplicates Z: 6 5.061 1.671 0.502 0.340 0.800 0.400 N 1.341 6 residues pruned to eliminate duplicates Z: 15 11.269 1.819 0.492 0.431 0.929 0.500 CA 1.284 15 residues pruned to eliminate duplicates Z: 6 4.590 1.804 0.056 0.517 0.800 0.200 CB 1.323 6 residues pruned to eliminate duplicates Z: 22 16.601 2.018 0.207 0.520 0.952 0.571 CB 1.532 22 residues pruned to eliminate duplicates Z: 7 7.511 1.827 0.196 0.474 1.000 0.167 CA 1.441 7 residues pruned to eliminate duplicates Z: 20 15.569 2.023 0.224 0.533 1.000 0.579 CB 1.396 20 residues pruned to eliminate duplicates Z: 23 15.108 1.956 0.267 0.510 0.955 0.500 CB 1.349 23 residues pruned to eliminate duplicates Z: 18 17.212 2.082 0.272 0.587 1.000 0.529 CB 1.450 18 residues pruned to eliminate duplicates Z: 17 19.056 2.036 0.526 0.562 1.000 0.750 CB 1.444 17 residues pruned to eliminate duplicates Z: 18 18.954 2.102 0.395 0.564 1.000 0.706 CB 1.473 18 residues pruned to eliminate duplicates Z: 20 17.922 2.108 0.308 0.551 1.000 0.632 CB 1.419 20 residues pruned to eliminate duplicates Z: 19 18.281 2.142 0.211 0.565 1.000 0.556 CB 1.559 19 residues pruned to eliminate duplicates Z: 23 18.285 2.010 0.335 0.539 0.955 0.636 CB 1.465 23 residues pruned to eliminate duplicates Z: 20 16.653 2.027 0.373 0.544 0.947 0.737 CB 1.387 20 residues pruned to eliminate duplicates Z: 19 20.853 2.092 0.509 0.567 1.000 0.611 CB 1.459 19 residues pruned to eliminate duplicates Z: 20 20.650 2.127 0.416 0.511 1.000 0.632 CB 1.555 20 residues pruned to eliminate duplicates Z: 7 3.742 1.654 0.266 0.609 0.667 0.167 CB 0.987 Z: 11 7.011 1.421 0.747 0.555 0.900 0.500 CB 0.941 7 residues pruned to eliminate duplicates Z: 10 6.274 1.580 0.613 0.628 0.889 0.333 CB 0.819 10 residues pruned to eliminate duplicates Z: 14 5.425 1.574 0.426 0.432 0.846 0.692 CB 0.850 14 residues pruned to eliminate duplicates Z: 11 6.370 1.939 0.420 0.448 0.800 0.400 CB 0.965 14 residues pruned to eliminate duplicates Z: 9 5.262 1.604 0.488 0.735 0.750 0.375 CB 0.842 9 residues pruned to eliminate duplicates Z: 8 4.791 1.629 0.397 0.370 1.000 0.571 CB 0.915 Z: 9 7.064 1.753 0.500 0.616 0.875 0.500 CB 0.973 14 residues pruned to eliminate duplicates Z: 8 7.332 1.743 0.256 0.548 1.000 0.571 CB 1.208 8 residues pruned to eliminate duplicates Z: 7 5.242 1.733 0.273 0.560 1.000 0.333 CA 0.915 8 residues pruned to eliminate duplicates Z: 6 3.956 1.621 0.491 0.723 1.000 0.600 CA 0.599 5 residues pruned to eliminate duplicates Z: 7 3.311 1.520 0.538 0.581 0.833 0.333 CA 0.641 7 residues pruned to eliminate duplicates Z: 9 4.934 1.639 0.623 0.436 0.875 0.375 CA 0.801 9 residues pruned to eliminate duplicates Z: 13 8.902 1.885 0.573 0.436 0.750 0.250 CA 1.234 14 residues pruned to eliminate duplicates Z: 6 5.034 1.845 0.432 0.278 0.800 0.200 CB 1.370 6 residues pruned to eliminate duplicates Z: 33 17.804 1.929 0.426 0.462 0.938 0.656 CA 1.268 33 residues pruned to eliminate duplicates Z: 24 12.264 1.850 0.467 0.352 0.913 0.478 CB 1.211 24 residues pruned to eliminate duplicates Z: 32 15.942 1.921 0.360 0.417 0.968 0.452 CA 1.236 32 residues pruned to eliminate duplicates Z: 25 14.310 1.811 0.420 0.418 0.917 0.625 CB 1.349 25 residues pruned to eliminate duplicates Z: 22 14.231 1.869 0.374 0.394 0.952 0.524 CB 1.420 22 residues pruned to eliminate duplicates Z: 27 15.850 1.879 0.485 0.459 0.923 0.615 CB 1.258 27 residues pruned to eliminate duplicates Z: 15 12.552 1.939 0.456 0.540 1.000 0.571 CA 1.142 15 residues pruned to eliminate duplicates Z: 26 16.529 1.911 0.486 0.440 0.920 0.560 CA 1.347 25 residues pruned to eliminate duplicates Z: 19 11.949 1.914 0.328 0.451 0.944 0.556 CB 1.234 19 residues pruned to eliminate duplicates Z: 12 8.428 1.957 0.475 0.531 0.818 0.636 CA 1.043 12 residues pruned to eliminate duplicates Z: 15 14.100 2.006 0.507 0.560 0.929 0.786 CA 1.266 15 residues pruned to eliminate duplicates Z: 25 13.283 1.922 0.333 0.382 0.958 0.458 CA 1.253 25 residues pruned to eliminate duplicates Z: 22 14.999 1.965 0.477 0.392 0.952 0.571 CB 1.328 22 residues pruned to eliminate duplicates Z: 33 26.637 2.056 0.540 0.705 1.000 0.625 CA 1.234 33 residues pruned to eliminate duplicates Z: 15 11.513 1.880 0.583 0.421 0.929 0.714 CA 1.208 15 residues pruned to eliminate duplicates Z: 29 25.037 2.134 0.639 0.718 0.893 0.536 CA 1.243 29 residues pruned to eliminate duplicates Z: 41 26.418 2.036 0.635 0.571 0.900 0.525 CA 1.302 42 residues pruned to eliminate duplicates Z: 16 19.535 2.112 0.532 0.786 0.933 0.400 CA 1.299 16 residues pruned to eliminate duplicates Z: 35 28.278 1.990 0.665 0.615 0.971 0.676 CA 1.353 35 residues pruned to eliminate duplicates Z: 44 24.589 1.988 0.465 0.579 0.907 0.488 CA 1.315 44 residues pruned to eliminate duplicates Z: 41 26.087 2.002 0.618 0.596 0.900 0.500 CA 1.291 41 residues pruned to eliminate duplicates Z: 61 31.291 2.001 0.435 0.604 0.917 0.533 CA 1.390 61 residues pruned to eliminate duplicates Z: 23 20.909 2.106 0.630 0.698 0.909 0.455 CA 1.192 23 residues pruned to eliminate duplicates Z: 60 28.662 2.012 0.501 0.574 0.898 0.441 CA 1.281 60 residues pruned to eliminate duplicates Z: 37 23.609 2.009 0.526 0.556 0.917 0.500 CB 1.325 37 residues pruned to eliminate duplicates Z: 19 18.272 2.114 0.697 0.776 0.778 0.500 CA 1.210 19 residues pruned to eliminate duplicates Z: 43 23.420 1.953 0.519 0.533 0.881 0.476 CB 1.339 43 residues pruned to eliminate duplicates Z: 34 20.758 2.009 0.561 0.671 0.848 0.424 CA 1.159 34 residues pruned to eliminate duplicates Z: 62 31.504 1.976 0.529 0.607 0.918 0.492 CA 1.315 60 residues pruned to eliminate duplicates Z: 16 21.795 2.105 0.938 0.883 0.867 0.400 CA 1.151 16 residues pruned to eliminate duplicates Z: 45 21.780 1.963 0.419 0.547 0.841 0.455 CA 1.339 45 residues pruned to eliminate duplicates Z: 49 24.922 1.960 0.417 0.549 0.979 0.500 CA 1.262 49 residues pruned to eliminate duplicates Z: 40 26.672 2.019 0.518 0.653 0.872 0.462 CA 1.387 41 residues pruned to eliminate duplicates Z: 17 24.490 2.042 0.917 0.889 0.938 0.500 CA 1.201 17 residues pruned to eliminate duplicates Z: 19 20.289 2.144 0.705 0.808 0.778 0.333 CA 1.286 19 residues pruned to eliminate duplicates Z: 29 26.468 2.099 0.677 0.708 0.929 0.429 CA 1.267 29 residues pruned to eliminate duplicates Z: 58 30.462 1.996 0.448 0.596 0.947 0.561 CA 1.345 58 residues pruned to eliminate duplicates Z: 17 11.218 1.969 0.142 0.529 0.875 0.438 CB 1.386 17 residues pruned to eliminate duplicates Z: 37 26.506 2.046 0.604 0.663 0.861 0.472 CA 1.344 37 residues pruned to eliminate duplicates Z: 22 12.531 1.889 0.209 0.515 0.857 0.429 CB 1.376 22 residues pruned to eliminate duplicates Z: 20 13.918 1.986 0.205 0.553 0.947 0.526 CB 1.337 20 residues pruned to eliminate duplicates Z: 18 16.793 2.052 0.355 0.562 0.941 0.529 CA 1.465 18 residues pruned to eliminate duplicates Z: 13 17.774 2.143 0.345 0.751 1.000 0.500 CA 1.422 13 residues pruned to eliminate duplicates Z: 19 13.686 1.948 0.180 0.596 0.944 0.556 CA 1.355 19 residues pruned to eliminate duplicates Z: 16 18.476 2.083 0.495 0.621 1.000 0.400 CA 1.367 17 residues pruned to eliminate duplicates Z: 11 16.371 2.159 0.515 0.806 0.800 0.600 CA 1.515 11 residues pruned to eliminate duplicates Z: 16 15.693 1.989 0.437 0.615 0.933 0.533 CA 1.362 16 residues pruned to eliminate duplicates Z: 15 18.171 2.059 0.394 0.684 1.000 0.571 CA 1.429 15 residues pruned to eliminate duplicates Z: 45 25.372 2.021 0.421 0.613 0.932 0.409 CA 1.285 45 residues pruned to eliminate duplicates Z: 12 9.252 1.920 0.398 0.383 0.727 0.273 CB 1.618 11 residues pruned to eliminate duplicates Z: 13 20.901 2.166 0.369 0.798 1.000 0.417 CA 1.569 13 residues pruned to eliminate duplicates Z: 18 15.973 2.022 0.305 0.588 0.941 0.176 CA 1.433 18 residues pruned to eliminate duplicates Z: 14 10.009 1.902 0.260 0.518 0.846 0.462 CA 1.344 14 residues pruned to eliminate duplicates Z: 6 4.036 1.788 0.184 0.327 0.800 0.600 CA 1.289 7 residues pruned to eliminate duplicates Z: 16 13.650 1.858 0.587 0.462 0.800 0.533 N 1.554 15 residues pruned to eliminate duplicates Z: 7 9.555 1.914 0.471 0.748 0.833 0.833 CA 1.333 7 residues pruned to eliminate duplicates Z: 21 13.004 1.818 0.739 0.281 0.800 0.350 N 1.472 21 residues pruned to eliminate duplicates Z: 12 16.416 1.981 0.861 0.568 0.909 0.636 CA 1.383 13 residues pruned to eliminate duplicates Z: 8 12.350 1.900 0.430 0.740 1.000 0.571 CA 1.385 8 residues pruned to eliminate duplicates Z: 37 29.460 2.039 0.713 0.434 0.944 0.528 CB 1.594 37 residues pruned to eliminate duplicates Z: 13 12.393 1.778 0.820 0.495 0.917 0.500 CA 1.212 13 residues pruned to eliminate duplicates Z: 12 17.186 1.989 0.766 0.452 0.909 0.545 CA 1.704 12 residues pruned to eliminate duplicates Z: 13 14.438 1.929 0.673 0.483 0.833 0.417 N 1.578 13 residues pruned to eliminate duplicates Z: 43 24.360 1.922 0.583 0.434 0.929 0.595 CB 1.424 43 residues pruned to eliminate duplicates Z: 34 22.283 2.010 0.549 0.392 0.879 0.576 CB 1.590 34 residues pruned to eliminate duplicates Z: 7 9.335 1.880 0.704 0.488 0.833 0.333 CA 1.444 7 residues pruned to eliminate duplicates Z: 22 17.312 1.915 0.797 0.373 0.762 0.429 C 1.650 22 residues pruned to eliminate duplicates Z: 11 10.235 2.018 0.557 0.384 0.800 0.500 CB 1.457 11 residues pruned to eliminate duplicates Z: 41 34.641 2.090 0.647 0.556 0.925 0.600 CA 1.629 41 residues pruned to eliminate duplicates Z: 46 33.996 2.070 0.549 0.598 0.911 0.689 CA 1.581 46 residues pruned to eliminate duplicates Z: 32 23.863 2.079 0.612 0.387 0.903 0.516 CB 1.597 32 residues pruned to eliminate duplicates Z: 7 5.364 1.504 0.929 0.461 1.000 0.667 CA 0.786 7 residues pruned to eliminate duplicates Z: 24 18.953 2.074 0.540 0.461 0.870 0.652 CA 1.482 24 residues pruned to eliminate duplicates Z: 35 35.429 2.138 0.603 0.651 0.941 0.706 CA 1.636 35 residues pruned to eliminate duplicates Z: 46 29.196 2.036 0.402 0.564 0.911 0.578 CA 1.572 46 residues pruned to eliminate duplicates Z: 57 38.611 2.060 0.574 0.571 0.911 0.554 CA 1.632 56 residues pruned to eliminate duplicates Z: 11 17.618 2.258 0.428 0.649 1.000 0.900 CB 1.503 11 residues pruned to eliminate duplicates Z: 47 28.894 1.952 0.566 0.540 0.935 0.609 CA 1.433 47 residues pruned to eliminate duplicates Z: 32 23.698 2.065 0.414 0.484 0.903 0.581 CA 1.640 32 residues pruned to eliminate duplicates Z: 47 29.079 1.942 0.571 0.573 0.891 0.565 CA 1.469 47 residues pruned to eliminate duplicates Z: 42 29.923 2.106 0.548 0.519 0.878 0.585 CA 1.602 42 residues pruned to eliminate duplicates Z: 46 32.154 1.988 0.598 0.582 0.889 0.578 CA 1.569 46 residues pruned to eliminate duplicates Z: 32 28.791 2.069 0.501 0.659 0.935 0.613 CA 1.536 32 residues pruned to eliminate duplicates Z: 31 31.794 2.148 0.592 0.604 0.900 0.600 CA 1.709 31 residues pruned to eliminate duplicates Z: 46 35.147 2.061 0.578 0.597 0.911 0.556 CA 1.611 46 residues pruned to eliminate duplicates Z: 22 35.468 2.079 0.859 0.872 1.000 0.667 CA 1.460 22 residues pruned to eliminate duplicates Z: 33 36.016 2.145 0.737 0.614 0.906 0.625 CA 1.692 33 residues pruned to eliminate duplicates Z: 43 33.502 2.005 0.625 0.586 0.905 0.500 CA 1.614 43 residues pruned to eliminate duplicates Z: 22 26.195 2.054 0.431 0.841 0.905 0.619 CA 1.604 22 residues pruned to eliminate duplicates Z: 38 35.338 2.085 0.545 0.618 0.973 0.541 CA 1.658 38 residues pruned to eliminate duplicates Z: 46 38.191 2.068 0.689 0.609 0.911 0.600 CA 1.612 46 residues pruned to eliminate duplicates Z: 31 32.761 2.083 0.735 0.680 0.967 0.600 CA 1.451 31 residues pruned to eliminate duplicates Z: 58 39.498 2.045 0.671 0.583 0.895 0.491 CA 1.580 58 residues pruned to eliminate duplicates Z: 44 33.237 2.020 0.636 0.601 0.884 0.535 CB 1.577 44 residues pruned to eliminate duplicates Z: 49 35.502 1.994 0.533 0.614 0.938 0.521 CA 1.605 49 residues pruned to eliminate duplicates Z: 18 22.598 1.869 0.655 0.846 0.882 0.471 CA 1.491 18 residues pruned to eliminate duplicates Z: 26 21.855 1.947 0.518 0.640 0.840 0.480 CA 1.545 26 residues pruned to eliminate duplicates Z: 47 35.058 2.060 0.602 0.618 0.848 0.457 CB 1.653 47 residues pruned to eliminate duplicates Z: 56 35.514 2.006 0.648 0.490 0.891 0.509 CB 1.643 56 residues pruned to eliminate duplicates Z: 39 36.099 2.041 0.649 0.664 0.921 0.447 CB 1.623 39 residues pruned to eliminate duplicates Z: 11 6.957 1.863 0.247 0.344 0.700 0.200 C 1.603 11 residues pruned to eliminate duplicates Z: 21 12.593 1.853 0.600 0.511 0.750 0.250 CA 1.253 21 residues pruned to eliminate duplicates Z: 7 6.604 1.900 0.204 0.353 1.000 0.500 CB 1.381 8 residues pruned to eliminate duplicates Z: 6 4.150 1.850 0.571 0.443 0.600 0.400 CB 1.128 6 residues pruned to eliminate duplicates Z: 29 19.318 2.133 0.599 0.266 0.929 0.429 CB 1.505 29 residues pruned to eliminate duplicates Z: 6 3.925 1.603 1.260 0.213 0.600 0.400 CA 1.133 6 residues pruned to eliminate duplicates Z: 50 25.579 2.183 0.380 0.332 0.939 0.408 CA 1.553 50 residues pruned to eliminate duplicates Z: 34 17.333 2.028 0.479 0.275 0.848 0.364 CA 1.530 34 residues pruned to eliminate duplicates Z: 30 17.741 2.166 0.492 0.251 0.862 0.379 CA 1.574 30 residues pruned to eliminate duplicates Z: 31 20.407 2.215 0.550 0.308 0.900 0.400 CB 1.493 31 residues pruned to eliminate duplicates Z: 27 18.583 2.199 0.382 0.284 0.962 0.385 CB 1.591 27 residues pruned to eliminate duplicates Z: 27 21.044 2.244 0.591 0.320 0.885 0.423 CA 1.594 27 residues pruned to eliminate duplicates Z: 28 14.491 2.149 0.199 0.315 0.889 0.407 CB 1.494 28 residues pruned to eliminate duplicates Z: 51 26.356 2.135 0.427 0.345 0.900 0.460 CB 1.609 51 residues pruned to eliminate duplicates Z: 28 19.598 2.211 0.512 0.275 0.926 0.407 CB 1.572 28 residues pruned to eliminate duplicates Z: 21 13.691 2.230 0.304 0.306 0.850 0.450 CA 1.536 21 residues pruned to eliminate duplicates Z: 26 20.084 2.292 0.421 0.316 0.880 0.440 CB 1.717 26 residues pruned to eliminate duplicates Z: 27 20.733 2.260 0.408 0.301 0.962 0.500 CA 1.659 27 residues pruned to eliminate duplicates Z: 26 22.366 2.312 0.537 0.341 0.880 0.520 CB 1.701 26 residues pruned to eliminate duplicates Z: 26 20.848 2.268 0.423 0.285 0.960 0.360 CB 1.715 26 residues pruned to eliminate duplicates Z: 52 21.380 2.162 0.308 0.311 0.843 0.353 CA 1.548 52 residues pruned to eliminate duplicates Z: 28 17.794 2.244 0.329 0.292 0.889 0.407 CA 1.632 29 residues pruned to eliminate duplicates Z: 6 3.078 1.778 0.457 0.161 0.800 0.400 CA 1.005 6 residues pruned to eliminate duplicates Z: 49 22.293 2.165 0.331 0.319 0.917 0.500 CA 1.487 49 residues pruned to eliminate duplicates Z: 6 3.533 1.606 0.505 0.266 0.800 0.600 CA 1.067 6 residues pruned to eliminate duplicates Z: 23 13.978 2.152 0.285 0.368 0.909 0.500 CA 1.367 23 residues pruned to eliminate duplicates Z: 57 23.149 2.142 0.298 0.349 0.857 0.482 CA 1.528 57 residues pruned to eliminate duplicates Z: 24 13.939 2.072 0.277 0.364 0.913 0.609 CA 1.391 24 residues pruned to eliminate duplicates Z: 17 9.886 2.071 0.319 0.425 0.750 0.500 CB 1.304 17 residues pruned to eliminate duplicates Z: 17 8.907 1.927 0.132 0.425 0.812 0.500 CB 1.357 17 residues pruned to eliminate duplicates Z: 25 15.551 2.109 0.295 0.414 0.875 0.625 CA 1.452 25 residues pruned to eliminate duplicates Z: 10 6.972 2.075 0.330 0.335 0.667 0.333 CA 1.513 10 residues pruned to eliminate duplicates Z: 13 7.447 2.084 0.217 0.360 0.750 0.417 CB 1.315 13 residues pruned to eliminate duplicates Z: 57 23.089 2.139 0.393 0.300 0.839 0.411 CA 1.541 57 residues pruned to eliminate duplicates Z: 63 25.914 2.144 0.345 0.327 0.903 0.419 CB 1.527 63 residues pruned to eliminate duplicates Z: 6 3.073 1.975 -0.187 0.451 1.000 0.600 CB 0.901 6 residues pruned to eliminate duplicates Z: 13 6.707 2.040 0.270 0.323 0.833 0.417 CB 1.090 13 residues pruned to eliminate duplicates Z: 27 9.336 1.926 0.183 0.266 0.769 0.346 CB 1.364 27 residues pruned to eliminate duplicates Z: 20 9.770 1.994 0.338 0.338 0.737 0.474 CB 1.361 20 residues pruned to eliminate duplicates Z: 14 5.238 1.890 0.368 0.208 0.615 0.385 CB 1.289 14 residues pruned to eliminate duplicates Z: 8 6.313 1.903 0.339 0.394 0.714 0.429 CB 1.466 8 residues pruned to eliminate duplicates Z: 11 7.128 1.936 0.500 0.348 0.800 0.300 CB 1.144 11 residues pruned to eliminate duplicates Z: 19 9.940 2.068 0.424 0.299 0.722 0.389 CB 1.379 19 residues pruned to eliminate duplicates Z: 44 36.424 2.172 0.613 0.583 0.953 0.488 CA 1.536 44 residues pruned to eliminate duplicates Z: 10 7.891 1.990 0.353 0.413 0.778 0.667 CA 1.375 10 residues pruned to eliminate duplicates Z: 15 6.553 1.913 0.287 0.381 0.786 0.571 CA 1.027 15 residues pruned to eliminate duplicates Z: 105 38.359 2.137 0.369 0.482 0.913 0.538 CB 1.433 105 residues pruned to eliminate duplicates Z: 24 29.932 2.232 0.533 0.680 1.000 0.652 CA 1.545 24 residues pruned to eliminate duplicates Z: 22 19.520 2.170 0.395 0.547 0.857 0.571 CA 1.567 22 residues pruned to eliminate duplicates Z: 38 36.986 2.249 0.581 0.637 0.919 0.486 CA 1.636 38 residues pruned to eliminate duplicates Z: 49 33.521 2.183 0.464 0.599 0.917 0.583 CB 1.503 49 residues pruned to eliminate duplicates Z: 44 36.208 2.227 0.519 0.657 0.907 0.605 CB 1.555 44 residues pruned to eliminate duplicates Z: 66 37.730 2.197 0.474 0.578 0.908 0.569 CB 1.477 66 residues pruned to eliminate duplicates Z: 44 35.635 2.200 0.396 0.692 0.953 0.651 CB 1.557 44 residues pruned to eliminate duplicates Z: 33 35.069 2.204 0.610 0.645 0.938 0.500 CB 1.628 33 residues pruned to eliminate duplicates Z: 42 36.769 2.234 0.460 0.692 0.902 0.512 CB 1.636 42 residues pruned to eliminate duplicates Z: 29 31.400 2.272 0.537 0.704 0.857 0.500 CB 1.646 29 residues pruned to eliminate duplicates Z: 33 36.042 2.245 0.584 0.726 0.906 0.500 CB 1.612 33 residues pruned to eliminate duplicates Z: 42 37.707 2.252 0.667 0.661 0.829 0.512 CB 1.630 42 residues pruned to eliminate duplicates Z: 28 38.859 2.311 0.686 0.704 0.963 0.630 CB 1.655 28 residues pruned to eliminate duplicates Z: 35 37.891 2.226 0.680 0.614 0.971 0.412 CB 1.607 35 residues pruned to eliminate duplicates Z: 71 37.390 2.176 0.553 0.548 0.857 0.471 CB 1.472 72 residues pruned to eliminate duplicates Z: 18 35.189 2.420 0.838 0.879 0.824 0.412 CB 1.690 18 residues pruned to eliminate duplicates Z: 68 23.718 2.040 0.353 0.417 0.776 0.448 CB 1.476 68 residues pruned to eliminate duplicates Z: 38 39.824 2.260 0.641 0.633 0.946 0.432 CA 1.647 38 residues pruned to eliminate duplicates Z: 41 32.541 2.175 0.617 0.557 0.875 0.425 CB 1.582 41 residues pruned to eliminate duplicates Z: 63 34.610 2.183 0.490 0.513 0.839 0.403 CB 1.591 63 residues pruned to eliminate duplicates Z: 44 36.072 2.219 0.596 0.659 0.860 0.488 CB 1.558 44 residues pruned to eliminate duplicates Z: 23 16.821 2.077 0.328 0.497 0.955 0.455 CB 1.366 23 residues pruned to eliminate duplicates Z: 37 36.245 2.277 0.518 0.648 0.917 0.472 CB 1.661 37 residues pruned to eliminate duplicates Z: 63 36.738 2.177 0.466 0.554 0.871 0.419 CB 1.592 63 residues pruned to eliminate duplicates Z: 44 43.956 2.198 0.588 0.680 0.977 0.442 CA 1.667 44 residues pruned to eliminate duplicates Z: 41 38.315 2.222 0.627 0.624 0.900 0.400 CB 1.657 41 residues pruned to eliminate duplicates Z: 37 33.578 2.238 0.575 0.614 0.889 0.528 CB 1.604 37 residues pruned to eliminate duplicates Z: 43 30.828 2.198 0.513 0.560 0.881 0.452 CA 1.532 43 residues pruned to eliminate duplicates Z: 43 35.235 2.197 0.508 0.648 0.905 0.310 CB 1.580 43 residues pruned to eliminate duplicates Z: 41 36.606 2.180 0.711 0.581 0.875 0.400 CB 1.640 41 residues pruned to eliminate duplicates Z: 29 27.985 2.280 0.630 0.666 0.750 0.429 CB 1.627 29 residues pruned to eliminate duplicates Z: 42 36.799 2.237 0.495 0.651 0.902 0.293 CB 1.654 42 residues pruned to eliminate duplicates Z: 45 40.732 2.220 0.698 0.652 0.909 0.523 CB 1.555 45 residues pruned to eliminate duplicates Z: 37 33.970 2.216 0.582 0.631 0.917 0.222 CB 1.557 37 residues pruned to eliminate duplicates Z: 41 39.946 2.264 0.576 0.696 0.950 0.475 CB 1.558 41 residues pruned to eliminate duplicates Z: 51 38.637 2.261 0.523 0.600 0.880 0.360 CB 1.640 51 residues pruned to eliminate duplicates Z: 69 42.470 2.177 0.686 0.547 0.926 0.471 CB 1.447 69 residues pruned to eliminate duplicates Z: 74 43.391 2.154 0.548 0.596 0.918 0.452 CB 1.514 71 residues pruned to eliminate duplicates Z: 12 15.629 2.213 0.232 0.786 0.909 0.273 CB 1.477 12 residues pruned to eliminate duplicates Z: 31 14.273 2.094 0.482 0.362 0.833 0.433 CB 1.169 31 residues pruned to eliminate duplicates Z: 75 44.506 2.179 0.650 0.531 0.905 0.514 CB 1.541 75 residues pruned to eliminate duplicates Z: 30 28.408 2.166 0.587 0.533 0.931 0.448 CB 1.596 31 residues pruned to eliminate duplicates Z: 6 4.253 1.693 0.207 0.291 1.000 0.400 CA 1.176 6 residues pruned to eliminate duplicates Z: 68 37.382 2.185 0.483 0.546 0.881 0.388 CB 1.530 68 residues pruned to eliminate duplicates Z: 29 18.537 2.151 0.617 0.416 0.893 0.500 CB 1.232 29 residues pruned to eliminate duplicates Z: 29 20.409 2.145 0.647 0.366 0.929 0.536 CB 1.357 29 residues pruned to eliminate duplicates Z: 72 42.910 2.169 0.626 0.587 0.944 0.479 CB 1.408 72 residues pruned to eliminate duplicates Z: 24 13.089 1.962 0.599 0.361 0.826 0.565 CB 1.223 24 residues pruned to eliminate duplicates Z: 22 23.974 2.096 0.658 0.592 0.952 0.714 CA 1.448 22 residues pruned to eliminate duplicates Z: 6 5.349 1.511 0.993 0.389 0.800 0.600 CA 1.117 6 residues pruned to eliminate duplicates Z: 75 48.334 2.167 0.708 0.555 0.919 0.446 CB 1.565 75 residues pruned to eliminate duplicates Z: 66 42.188 2.208 0.580 0.545 0.938 0.400 CB 1.529 66 residues pruned to eliminate duplicates Z: 15 12.508 2.143 0.463 0.356 0.929 0.429 CB 1.341 15 residues pruned to eliminate duplicates Z: 28 18.431 2.044 0.477 0.336 0.963 0.370 CB 1.460 28 residues pruned to eliminate duplicates Z: 25 21.011 2.070 0.550 0.481 0.917 0.458 CA 1.487 25 residues pruned to eliminate duplicates Z: 73 48.809 2.194 0.606 0.598 0.944 0.542 CB 1.574 73 residues pruned to eliminate duplicates Z: 14 20.879 2.082 0.448 0.762 1.000 0.692 CA 1.522 14 residues pruned to eliminate duplicates Z: 8 6.777 1.855 0.463 0.568 0.714 0.571 CA 1.237 8 residues pruned to eliminate duplicates Z: 7 9.231 1.966 0.445 0.648 0.833 0.500 CA 1.386 7 residues pruned to eliminate duplicates Z: 7 14.670 1.914 0.555 0.831 1.000 0.667 CA 1.512 7 residues pruned to eliminate duplicates Z: 17 16.741 1.837 0.561 0.606 0.875 0.312 CB 1.508 17 residues pruned to eliminate duplicates Z: 7 16.955 2.055 0.489 0.820 1.000 0.333 CA 1.714 7 residues pruned to eliminate duplicates Z: 18 14.615 2.010 0.588 0.681 0.706 0.353 CB 1.332 18 residues pruned to eliminate duplicates Z: 22 26.558 2.194 0.599 0.803 0.905 0.619 CA 1.402 22 residues pruned to eliminate duplicates Z: 16 19.944 2.093 0.671 0.597 0.933 0.400 CB 1.439 20 residues pruned to eliminate duplicates Z: 22 23.971 2.029 0.464 0.871 1.000 0.524 CB 1.285 22 residues pruned to eliminate duplicates Z: 21 20.297 2.169 0.534 0.743 0.800 0.400 CB 1.371 21 residues pruned to eliminate duplicates Z: 25 22.036 2.038 0.512 0.721 0.875 0.583 CB 1.366 25 residues pruned to eliminate duplicates Z: 22 22.432 2.146 0.496 0.804 0.857 0.524 CA 1.364 22 residues pruned to eliminate duplicates Z: 21 23.102 2.193 0.365 0.712 1.000 0.450 CB 1.424 21 residues pruned to eliminate duplicates Z: 25 21.637 2.061 0.413 0.679 0.917 0.458 CB 1.404 25 residues pruned to eliminate duplicates Z: 22 25.211 2.121 0.633 0.728 0.952 0.333 CB 1.358 22 residues pruned to eliminate duplicates Z: 18 22.559 2.102 0.724 0.753 0.882 0.353 CA 1.366 18 residues pruned to eliminate duplicates Z: 26 18.522 2.023 0.592 0.639 0.760 0.280 CB 1.329 26 residues pruned to eliminate duplicates Z: 25 25.213 2.068 0.728 0.705 0.875 0.375 CB 1.366 25 residues pruned to eliminate duplicates Z: 23 10.330 1.663 0.714 0.355 0.864 0.545 CB 1.046 10 residues pruned to eliminate duplicates Z: 12 14.368 2.039 0.740 0.860 0.909 0.636 CA 0.988 12 residues pruned to eliminate duplicates Z: 24 29.907 2.120 0.822 0.724 0.957 0.522 CA 1.378 25 residues pruned to eliminate duplicates Z: 21 28.753 2.134 0.800 0.859 0.900 0.400 CA 1.368 21 residues pruned to eliminate duplicates Z: 23 26.111 2.112 0.729 0.758 0.864 0.500 CB 1.403 23 residues pruned to eliminate duplicates Z: 24 21.697 2.062 0.694 0.749 0.826 0.217 CA 1.255 24 residues pruned to eliminate duplicates Z: 24 22.945 2.051 0.713 0.759 0.826 0.304 CA 1.310 24 residues pruned to eliminate duplicates Z: 8 2.298 1.696 0.026 0.180 0.571 0.286 CB 1.285 Z: 6 2.400 1.464 0.075 0.209 1.000 0.400 CB 0.962 8 residues pruned to eliminate duplicates Z: 24 11.235 1.846 0.463 0.335 0.739 0.391 CB 1.406 30 residues pruned to eliminate duplicates Z: 7 3.192 1.658 0.447 0.424 0.667 0.333 CA 0.881 7 residues pruned to eliminate duplicates Z: 24 11.401 1.911 0.467 0.336 0.783 0.391 CB 1.296 24 residues pruned to eliminate duplicates Z: 6 2.853 1.617 0.588 0.394 0.800 0.600 CB 0.695 6 residues pruned to eliminate duplicates Z: 16 9.092 1.842 0.632 0.409 0.733 0.467 CA 1.171 16 residues pruned to eliminate duplicates Z: 8 9.673 1.834 0.796 0.520 0.857 0.429 CB 1.270 9 residues pruned to eliminate duplicates Z: 8 8.659 1.800 0.724 0.490 0.857 0.571 CA 1.243 7 residues pruned to eliminate duplicates Z: 7 11.403 1.776 0.692 0.721 1.000 0.333 CA 1.269 7 residues pruned to eliminate duplicates Z: 6 3.896 1.745 0.241 0.493 0.600 0.600 N 1.350 Z: 6 8.842 1.762 0.464 0.661 1.000 0.600 CB 1.321 19 residues pruned to eliminate duplicates Z: 6 4.935 1.680 0.551 0.198 1.000 0.200 CB 1.213 6 residues pruned to eliminate duplicates Z: 9 4.757 1.733 0.238 0.543 0.750 0.250 CB 1.002 9 residues pruned to eliminate duplicates Z: 27 9.997 1.801 0.220 0.312 0.769 0.577 CB 1.429 27 residues pruned to eliminate duplicates Z: 20 10.185 1.925 0.195 0.317 0.842 0.316 CB 1.476 20 residues pruned to eliminate duplicates Z: 37 17.951 1.966 0.311 0.406 0.917 0.583 CB 1.397 66 residues pruned to eliminate duplicates Z: 21 10.383 1.913 0.268 0.312 0.800 0.350 CA 1.473 Z: 8 4.390 1.861 -0.054 0.303 0.857 0.286 CA 1.370 10 residues pruned to eliminate duplicates Z: 7 4.468 1.810 0.016 0.424 0.833 0.667 CB 1.288 7 residues pruned to eliminate duplicates Z: 18 7.595 1.880 0.161 0.275 0.765 0.353 CA 1.424 18 residues pruned to eliminate duplicates Z: 15 11.410 1.976 0.336 0.407 0.857 0.500 CA 1.486 15 residues pruned to eliminate duplicates Z: 6 2.880 1.452 0.430 0.380 1.000 0.200 N 0.705 7 residues pruned to eliminate duplicates Z: 7 4.548 1.680 0.514 0.607 1.000 0.167 CB 0.659 7 residues pruned to eliminate duplicates Z: 38 22.387 2.097 0.313 0.452 0.919 0.541 CA 1.528 41 residues pruned to eliminate duplicates Z: 10 4.011 1.457 0.359 0.225 0.778 0.222 CB 1.198 10 residues pruned to eliminate duplicates Z: 37 21.852 2.070 0.322 0.465 0.944 0.611 CA 1.460 37 residues pruned to eliminate duplicates Z: 30 15.668 1.975 0.327 0.365 0.862 0.448 CB 1.488 26 residues pruned to eliminate duplicates Z: 6 2.634 1.891 -0.027 0.336 1.000 0.600 CB 0.766 6 residues pruned to eliminate duplicates Z: 36 22.941 2.086 0.278 0.465 1.000 0.543 CA 1.508 36 residues pruned to eliminate duplicates Z: 26 14.362 1.968 0.234 0.387 0.920 0.520 CA 1.449 26 residues pruned to eliminate duplicates Z: 36 19.708 2.063 0.179 0.486 0.914 0.543 CA 1.520 36 residues pruned to eliminate duplicates Z: 22 13.052 2.045 0.209 0.378 0.857 0.381 CB 1.532 22 residues pruned to eliminate duplicates Z: 12 8.668 1.921 0.366 0.350 0.909 0.364 CB 1.289 12 residues pruned to eliminate duplicates Z: 31 12.139 1.919 0.307 0.351 0.733 0.500 CB 1.415 31 residues pruned to eliminate duplicates Z: 37 22.591 2.047 0.267 0.497 0.972 0.583 CB 1.496 37 residues pruned to eliminate duplicates Z: 39 22.863 2.053 0.257 0.481 0.974 0.526 CB 1.504 39 residues pruned to eliminate duplicates Z: 37 24.129 2.113 0.220 0.494 1.000 0.611 CA 1.570 37 residues pruned to eliminate duplicates Z: 6 5.491 1.780 0.701 0.451 1.000 0.400 CB 0.853 6 residues pruned to eliminate duplicates Z: 16 18.197 2.061 0.466 0.598 0.933 0.533 CA 1.518 16 residues pruned to eliminate duplicates Z: 36 22.773 2.087 0.265 0.448 0.971 0.514 CB 1.584 36 residues pruned to eliminate duplicates Z: 42 22.092 2.044 0.340 0.468 0.878 0.537 CB 1.482 42 residues pruned to eliminate duplicates Z: 15 19.986 2.191 0.389 0.645 1.000 0.786 CA 1.534 15 residues pruned to eliminate duplicates Z: 37 22.093 2.078 0.291 0.473 0.944 0.611 CB 1.494 37 residues pruned to eliminate duplicates Z: 23 14.799 2.041 0.178 0.481 0.909 0.636 CB 1.471 23 residues pruned to eliminate duplicates Z: 15 18.358 2.131 0.395 0.656 0.929 0.714 CB 1.538 15 residues pruned to eliminate duplicates Z: 7 4.593 1.571 0.723 0.265 0.833 0.333 CA 1.086 7 residues pruned to eliminate duplicates Z: 20 17.714 2.026 0.501 0.530 0.947 0.579 CA 1.370 21 residues pruned to eliminate duplicates Z: 6 4.849 1.662 0.404 0.494 0.800 0.200 N 1.169 6 residues pruned to eliminate duplicates Z: 16 15.040 1.966 0.430 0.429 1.000 0.533 CA 1.486 16 residues pruned to eliminate duplicates Z: 10 13.969 2.067 0.600 0.626 1.000 0.444 CA 1.250 12 residues pruned to eliminate duplicates Z: 9 7.504 1.858 0.259 0.551 1.000 0.625 CA 1.079 9 residues pruned to eliminate duplicates Z: 20 13.499 1.875 0.399 0.542 0.895 0.526 CA 1.267 20 residues pruned to eliminate duplicates Z: 18 17.665 2.038 0.549 0.588 0.941 0.529 CA 1.325 18 residues pruned to eliminate duplicates Z: 21 16.664 1.972 0.493 0.545 0.900 0.550 CA 1.346 21 residues pruned to eliminate duplicates Z: 10 10.700 1.758 0.315 0.853 1.000 0.667 CA 1.141 10 residues pruned to eliminate duplicates Z: 17 9.885 1.813 0.452 0.510 0.812 0.562 CA 1.145 17 residues pruned to eliminate duplicates Z: 15 9.987 1.882 0.646 0.544 0.857 0.571 CA 0.963 15 residues pruned to eliminate duplicates Z: 19 18.245 2.048 0.656 0.546 0.944 0.611 CA 1.284 19 residues pruned to eliminate duplicates Z: 7 5.335 1.903 0.114 0.389 1.000 0.500 CA 1.156 7 residues pruned to eliminate duplicates Z: 11 6.045 1.758 0.298 0.353 0.900 0.400 CA 1.092 11 residues pruned to eliminate duplicates Z: 11 5.812 1.780 0.306 0.324 1.000 0.600 CA 0.960 11 residues pruned to eliminate duplicates Z: 13 5.746 1.763 0.388 0.225 0.750 0.333 CB 1.247 13 residues pruned to eliminate duplicates Z: 11 4.543 1.744 0.035 0.361 0.900 0.500 CA 1.027 11 residues pruned to eliminate duplicates Z: 7 4.102 1.790 0.502 0.337 0.667 0.500 CA 1.117 7 residues pruned to eliminate duplicates 518 residues left after pruning, divided into chains as follows: A: 8 B: 9 C: 8 D: 12 E: 8 F: 14 G: 9 H: 17 I: 22 J: 18 K: 13 L: 60 M: 58 N: 133 O: 35 P: 24 Q: 10 R: 43 S: 17 CC for partial structure against native data = 17.02 % ------------------------------------------------------------------------------ Global autotracing cycle 24 = 0.300, Contrast = 0.409, Connect. = 0.678 for dens.mod. cycle 1 = 0.300, Contrast = 0.474, Connect. = 0.699 for dens.mod. cycle 2 = 0.300, Contrast = 0.545, Connect. = 0.735 for dens.mod. cycle 3 = 0.300, Contrast = 0.553, Connect. = 0.740 for dens.mod. cycle 4 = 0.300, Contrast = 0.561, Connect. = 0.746 for dens.mod. cycle 5 = 0.300, Contrast = 0.566, Connect. = 0.749 for dens.mod. cycle 6 = 0.300, Contrast = 0.570, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.572, Connect. = 0.755 for dens.mod. cycle 8 = 0.300, Contrast = 0.574, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.574, Connect. = 0.758 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6970 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1163 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 14.399 2.146 0.138 0.832 0.938 0.750 CB 1.181 B: 21 33.657 2.188 0.457 0.891 1.000 0.800 CB 1.697 C: 17 28.691 2.116 0.663 0.933 1.000 0.875 CB 1.423 18 residues pruned to eliminate duplicates D: 8 8.968 1.986 0.126 0.664 0.857 0.714 CA 1.519 E: 22 20.820 2.032 0.472 0.803 0.905 0.619 CB 1.289 17 residues pruned to eliminate duplicates F: 15 33.219 2.312 0.620 0.909 0.929 0.429 CB 1.811 15 residues pruned to eliminate duplicates G: 22 17.370 1.986 0.332 0.567 1.000 0.571 CB 1.343 H: 19 14.380 1.837 0.407 0.491 0.889 0.611 CA 1.488 I: 21 35.578 2.254 0.421 0.931 1.000 0.800 CB 1.736 20 residues pruned to eliminate duplicates J: 14 8.006 1.875 0.333 0.345 0.769 0.385 CB 1.365 K: 23 31.343 2.017 0.620 0.882 0.955 0.727 CA 1.550 L: 11 11.638 1.957 0.307 0.580 1.000 0.500 CA 1.332 M: 26 26.605 2.066 0.278 0.825 0.920 0.520 CB 1.653 25 residues pruned to eliminate duplicates N: 19 25.302 2.130 0.266 0.854 0.944 0.611 CB 1.730 19 residues pruned to eliminate duplicates O: 41 33.482 2.196 0.627 0.657 0.825 0.550 CB 1.552 31 residues pruned to eliminate duplicates P: 14 26.082 2.136 0.834 0.922 0.923 0.615 CB 1.408 14 residues pruned to eliminate duplicates Q: 22 30.190 2.180 0.400 0.893 0.905 0.571 CB 1.712 22 residues pruned to eliminate duplicates R: 25 19.499 2.228 0.530 0.294 0.917 0.292 CA 1.604 14 residues pruned to eliminate duplicates S: 13 10.288 2.087 0.155 0.484 0.833 0.583 CB 1.503 T: 21 32.107 2.170 0.424 0.893 0.950 0.600 CB 1.755 21 residues pruned to eliminate duplicates U: 21 19.639 2.131 0.235 0.865 0.900 0.650 CA 1.358 20 residues pruned to eliminate duplicates V: 15 19.980 2.140 0.406 0.655 1.000 0.786 CA 1.537 W: 11 14.021 2.148 0.210 0.836 0.900 0.500 CB 1.418 9 residues pruned to eliminate duplicates X: 12 11.182 2.080 -0.041 0.783 0.909 0.545 CA 1.449 12 residues pruned to eliminate duplicates Y: 16 20.617 2.103 0.361 0.792 0.867 0.533 CA 1.661 16 residues pruned to eliminate duplicates Z: 15 23.410 2.099 0.426 0.911 0.929 0.714 CB 1.596 15 residues pruned to eliminate duplicates Z: 21 33.578 2.240 0.387 0.889 1.000 0.450 CB 1.739 21 residues pruned to eliminate duplicates Z: 12 14.176 2.089 0.392 0.795 0.909 0.636 CB 1.249 12 residues pruned to eliminate duplicates Z: 10 8.837 1.992 0.157 0.384 0.889 0.556 CB 1.627 Z: 9 12.193 1.990 0.439 0.781 0.875 0.625 CA 1.343 9 residues pruned to eliminate duplicates Z: 17 33.534 2.107 0.568 0.888 1.000 0.812 CA 1.827 16 residues pruned to eliminate duplicates Z: 22 21.073 2.026 0.294 0.927 1.000 0.952 CB 1.230 22 residues pruned to eliminate duplicates Z: 26 19.440 2.102 0.377 0.540 0.880 0.520 CB 1.467 17 residues pruned to eliminate duplicates Z: 10 6.998 1.736 0.324 0.423 0.778 0.444 CA 1.415 Z: 8 8.198 2.070 0.237 0.477 0.857 0.429 CB 1.445 Z: 14 18.206 2.177 0.355 0.890 0.923 0.769 CB 1.335 14 residues pruned to eliminate duplicates Z: 24 15.702 2.246 0.458 0.284 0.826 0.348 CB 1.544 25 residues pruned to eliminate duplicates Z: 21 26.705 2.200 0.307 0.891 0.900 0.700 CB 1.658 21 residues pruned to eliminate duplicates Z: 18 21.773 2.105 0.221 0.877 0.882 0.647 CA 1.691 18 residues pruned to eliminate duplicates Z: 11 14.369 2.081 0.822 0.501 0.900 0.500 CB 1.331 Z: 12 15.739 2.258 0.213 0.886 0.909 0.636 CB 1.376 12 residues pruned to eliminate duplicates Z: 22 29.928 2.049 0.499 0.865 0.952 0.714 CA 1.635 22 residues pruned to eliminate duplicates Z: 19 14.533 2.096 -0.006 0.904 1.000 0.944 CB 1.171 19 residues pruned to eliminate duplicates Z: 23 22.375 2.050 0.185 0.838 0.955 0.818 CB 1.537 23 residues pruned to eliminate duplicates Z: 7 11.667 1.907 0.376 0.860 1.000 0.500 CB 1.334 Z: 28 14.650 2.138 0.322 0.386 0.889 0.556 CB 1.267 Z: 20 33.911 2.253 0.399 0.911 1.000 0.947 CB 1.749 20 residues pruned to eliminate duplicates Z: 20 34.865 2.273 0.451 0.904 1.000 0.789 CB 1.728 22 residues pruned to eliminate duplicates Z: 19 17.890 2.110 0.175 0.868 1.000 0.667 CB 1.243 19 residues pruned to eliminate duplicates Z: 7 2.613 1.553 0.020 0.452 0.667 0.500 CB 1.061 7 residues pruned to eliminate duplicates Z: 12 10.196 1.806 -0.012 0.877 1.000 0.727 CB 1.251 Z: 9 9.786 2.145 0.022 0.762 0.875 0.625 CB 1.429 10 residues pruned to eliminate duplicates Z: 19 18.950 1.871 0.617 0.878 0.944 0.833 CA 1.134 Z: 18 10.153 1.883 0.099 0.387 0.882 0.471 CA 1.520 9 residues pruned to eliminate duplicates Z: 14 11.007 1.904 0.209 0.543 1.000 0.385 CA 1.272 Z: 11 17.274 1.887 0.594 0.834 1.000 0.600 CA 1.362 Z: 10 9.304 2.153 0.150 0.481 0.889 0.556 CB 1.436 10 residues pruned to eliminate duplicates Z: 15 19.598 2.070 0.475 0.652 1.000 0.714 CB 1.489 14 residues pruned to eliminate duplicates Z: 18 16.270 1.915 0.718 0.447 0.882 0.529 N 1.436 8 residues pruned to eliminate duplicates Z: 12 9.117 2.109 0.187 0.481 0.727 0.545 CA 1.540 12 residues pruned to eliminate duplicates Z: 10 4.248 1.674 0.123 0.455 0.778 0.444 CA 1.015 9 residues pruned to eliminate duplicates Z: 14 13.300 2.165 0.217 0.831 0.846 0.692 CB 1.243 14 residues pruned to eliminate duplicates Z: 10 12.778 2.134 0.035 0.884 0.889 0.889 CA 1.568 10 residues pruned to eliminate duplicates Z: 8 11.077 1.877 0.312 0.815 1.000 0.571 CB 1.292 8 residues pruned to eliminate duplicates Z: 16 17.875 1.972 0.639 0.859 1.000 0.800 CA 1.050 15 residues pruned to eliminate duplicates Z: 14 32.994 2.234 0.757 0.900 1.000 0.385 CB 1.666 14 residues pruned to eliminate duplicates Z: 12 11.459 2.054 0.211 0.512 0.909 0.545 CB 1.511 13 residues pruned to eliminate duplicates Z: 12 6.994 1.785 0.230 0.377 0.727 0.455 CB 1.505 Z: 11 7.043 1.981 0.099 0.390 0.800 0.400 CB 1.436 7 residues pruned to eliminate duplicates Z: 21 22.950 2.125 0.524 0.903 0.950 0.800 CB 1.188 23 residues pruned to eliminate duplicates Z: 11 6.149 1.848 0.057 0.514 1.000 0.700 CB 0.982 5 residues pruned to eliminate duplicates Z: 13 12.132 1.967 0.547 0.401 1.000 0.583 CB 1.278 13 residues pruned to eliminate duplicates Z: 16 8.277 1.830 0.453 0.179 0.800 0.333 CA 1.479 9 residues pruned to eliminate duplicates Z: 20 25.468 1.960 0.486 0.892 1.000 1.000 CA 1.441 20 residues pruned to eliminate duplicates Z: 63 22.681 2.149 0.269 0.323 0.871 0.452 CB 1.474 56 residues pruned to eliminate duplicates Z: 12 8.622 2.121 0.279 0.396 0.636 0.455 CA 1.681 12 residues pruned to eliminate duplicates Z: 13 16.433 1.918 0.745 0.571 0.833 0.583 CA 1.588 13 residues pruned to eliminate duplicates Z: 13 9.175 1.990 0.043 0.476 0.833 0.667 CB 1.569 13 residues pruned to eliminate duplicates Z: 12 15.745 2.007 0.361 0.771 0.909 0.727 CA 1.504 12 residues pruned to eliminate duplicates Z: 20 38.937 2.287 0.624 0.906 1.000 0.737 CB 1.711 20 residues pruned to eliminate duplicates Z: 23 18.234 1.981 0.297 0.516 1.000 0.682 CA 1.490 22 residues pruned to eliminate duplicates Z: 56 22.835 2.158 0.312 0.357 0.855 0.436 CB 1.486 56 residues pruned to eliminate duplicates Z: 10 7.313 1.824 0.441 0.550 0.889 0.556 CA 0.993 10 residues pruned to eliminate duplicates Z: 12 14.325 1.744 0.624 0.779 0.909 0.545 CA 1.311 12 residues pruned to eliminate duplicates Z: 10 5.625 1.651 0.168 0.494 0.889 0.667 CA 1.099 Z: 7 9.198 2.081 0.467 0.615 0.833 0.833 CB 1.324 7 residues pruned to eliminate duplicates Z: 11 15.319 1.926 0.671 0.844 0.800 0.600 CB 1.401 11 residues pruned to eliminate duplicates Z: 19 18.858 2.151 0.398 0.546 0.889 0.667 CB 1.590 19 residues pruned to eliminate duplicates Z: 16 16.672 2.082 0.333 0.630 1.000 0.800 CB 1.373 16 residues pruned to eliminate duplicates Z: 14 12.507 2.146 0.247 0.833 0.769 0.538 CB 1.263 14 residues pruned to eliminate duplicates Z: 27 14.895 1.905 0.321 0.411 0.923 0.577 CB 1.380 23 residues pruned to eliminate duplicates Z: 12 8.704 2.000 0.493 0.818 0.636 0.273 CA 1.048 12 residues pruned to eliminate duplicates Z: 42 21.979 2.024 0.260 0.480 0.927 0.634 CB 1.482 16 residues pruned to eliminate duplicates Z: 42 24.089 2.035 0.453 0.483 0.878 0.683 CB 1.475 42 residues pruned to eliminate duplicates Z: 6 7.658 1.845 0.134 0.607 1.000 0.800 N 1.479 7 residues pruned to eliminate duplicates Z: 15 19.705 1.927 0.772 0.854 0.929 0.429 CB 1.227 16 residues pruned to eliminate duplicates Z: 20 14.229 2.000 0.551 0.427 0.947 0.421 CB 1.199 22 residues pruned to eliminate duplicates Z: 16 6.538 1.648 0.372 0.274 0.867 0.467 CB 1.114 14 residues pruned to eliminate duplicates Z: 11 19.188 2.146 0.331 0.844 1.000 0.500 CB 1.581 11 residues pruned to eliminate duplicates Z: 9 5.745 1.795 0.207 0.298 1.000 0.250 CA 1.174 Z: 27 17.817 2.251 0.407 0.326 0.846 0.538 CB 1.579 27 residues pruned to eliminate duplicates Z: 18 22.470 2.024 0.422 0.883 0.824 0.588 CB 1.663 18 residues pruned to eliminate duplicates Z: 13 10.205 1.984 0.122 0.770 0.917 0.333 CB 1.137 11 residues pruned to eliminate duplicates Z: 9 13.186 2.130 0.670 0.619 0.875 0.750 CA 1.339 8 1.799 1.473 0.356 0.170 0.857 0.286 CB 0.593 ? Z: 14 9.867 1.874 0.159 0.471 0.923 0.615 CA 1.406 8 residues pruned to eliminate duplicates Z: 10 8.207 2.087 -0.170 0.811 0.889 0.778 CB 1.357 10 residues pruned to eliminate duplicates Z: 12 14.438 2.000 0.326 0.827 0.818 0.727 CA 1.512 12 residues pruned to eliminate duplicates Z: 9 5.962 1.765 0.226 0.529 0.750 0.500 C 1.263 Z: 22 15.770 1.873 0.409 0.437 1.000 0.571 CB 1.392 23 residues pruned to eliminate duplicates Z: 11 7.687 1.853 0.130 0.845 0.800 0.800 CB 1.079 11 residues pruned to eliminate duplicates Z: 12 11.499 1.905 0.391 0.529 0.818 0.727 CA 1.555 14 residues pruned to eliminate duplicates Z: 19 18.809 1.952 0.452 0.865 0.944 0.889 CA 1.213 19 residues pruned to eliminate duplicates Z: 9 10.531 1.979 0.591 0.842 0.625 0.250 CB 1.410 9 residues pruned to eliminate duplicates Z: 14 25.529 2.185 0.776 0.911 1.000 0.692 CA 1.293 15 residues pruned to eliminate duplicates Z: 23 27.955 1.999 0.507 0.877 0.909 0.636 CA 1.580 23 residues pruned to eliminate duplicates Z: 19 11.025 2.074 0.324 0.343 0.778 0.500 CA 1.444 19 residues pruned to eliminate duplicates Z: 8 15.616 2.035 0.535 0.900 1.000 0.714 CB 1.350 8 residues pruned to eliminate duplicates Z: 10 12.123 2.027 0.558 0.388 0.889 0.333 CA 1.622 Z: 7 4.465 1.683 0.568 0.577 0.833 0.833 CB 0.770 Z: 15 12.474 1.797 0.575 0.394 0.929 0.429 CB 1.419 15 residues pruned to eliminate duplicates Z: 7 4.432 1.727 0.688 0.505 0.833 0.667 CB 0.741 9 residues pruned to eliminate duplicates Z: 12 7.426 1.827 0.625 0.251 0.818 0.364 CA 1.227 12 residues pruned to eliminate duplicates Z: 10 14.547 1.975 0.445 0.831 1.000 0.556 CA 1.276 10 residues pruned to eliminate duplicates Z: 31 15.638 2.103 0.211 0.393 0.900 0.567 CB 1.396 31 residues pruned to eliminate duplicates Z: 42 19.457 1.996 0.254 0.417 0.927 0.610 CB 1.429 42 residues pruned to eliminate duplicates Z: 22 16.809 2.108 0.427 0.439 0.905 0.476 CA 1.436 22 residues pruned to eliminate duplicates Z: 16 6.820 1.739 0.122 0.262 0.933 0.533 CB 1.269 10 residues pruned to eliminate duplicates Z: 9 4.300 1.381 0.597 0.416 0.875 0.750 CB 0.861 Z: 8 6.442 1.975 0.488 0.374 0.857 0.286 CB 1.106 11 residues pruned to eliminate duplicates Z: 15 9.956 1.874 0.434 0.413 0.929 0.500 CA 1.168 15 residues pruned to eliminate duplicates Z: 10 12.017 1.894 0.262 0.797 0.889 0.444 CA 1.455 10 residues pruned to eliminate duplicates Z: 18 30.485 2.072 0.777 0.875 0.941 0.706 CA 1.552 18 residues pruned to eliminate duplicates Z: 14 7.930 1.706 0.598 0.258 0.846 0.231 CB 1.257 13 residues pruned to eliminate duplicates Z: 8 7.979 1.879 0.509 0.535 0.857 0.571 CB 1.199 8 residues pruned to eliminate duplicates Z: 14 17.469 2.198 0.141 0.878 1.000 0.846 CB 1.402 14 residues pruned to eliminate duplicates Z: 23 27.302 1.953 0.709 0.835 1.000 0.727 CA 1.307 23 residues pruned to eliminate duplicates Z: 19 14.284 2.035 0.422 0.893 0.944 0.722 CA 0.885 19 residues pruned to eliminate duplicates Z: 16 10.978 1.833 0.269 0.447 0.933 0.400 CA 1.379 16 residues pruned to eliminate duplicates Z: 18 15.093 2.072 0.512 0.478 0.882 0.765 CA 1.355 17 residues pruned to eliminate duplicates Z: 11 14.751 2.103 0.052 0.871 0.900 0.700 CA 1.709 11 residues pruned to eliminate duplicates Z: 13 11.905 2.068 -0.030 0.838 1.000 0.750 CB 1.281 12 residues pruned to eliminate duplicates Z: 18 21.721 2.149 0.273 0.930 1.000 0.882 CB 1.347 18 residues pruned to eliminate duplicates Z: 14 6.953 1.932 0.072 0.350 0.846 0.538 CB 1.294 14 residues pruned to eliminate duplicates Z: 22 23.864 1.899 0.394 0.876 1.000 0.857 CA 1.431 22 residues pruned to eliminate duplicates Z: 6 2.280 1.769 -0.014 0.284 0.600 0.600 CB 1.242 Z: 6 3.707 1.731 0.389 0.298 0.800 0.400 CB 1.080 Z: 11 16.230 1.958 0.704 0.838 1.000 0.600 CA 1.149 11 residues pruned to eliminate duplicates Z: 6 2.901 1.675 -0.050 0.663 0.800 0.600 CA 0.876 5 residues pruned to eliminate duplicates Z: 36 32.503 2.020 0.655 0.639 0.971 0.629 CA 1.484 32 residues pruned to eliminate duplicates Z: 40 29.222 2.035 0.501 0.641 0.897 0.615 CA 1.496 36 residues pruned to eliminate duplicates Z: 13 15.424 2.091 0.592 0.915 0.917 0.583 CA 1.032 13 residues pruned to eliminate duplicates Z: 28 28.820 2.143 0.503 0.676 0.926 0.741 CA 1.582 28 residues pruned to eliminate duplicates Z: 11 4.451 1.578 0.526 0.229 0.800 0.300 CB 1.002 Z: 15 15.502 1.982 0.402 0.537 0.929 0.714 N 1.548 15 residues pruned to eliminate duplicates Z: 10 8.775 1.822 0.403 0.561 0.778 0.556 CB 1.387 10 residues pruned to eliminate duplicates Z: 10 6.648 1.488 0.216 0.477 1.000 0.333 CA 1.254 7 residues pruned to eliminate duplicates Z: 7 4.573 1.744 0.128 0.324 0.833 0.667 CA 1.383 Z: 9 8.529 1.931 0.452 0.396 0.750 0.625 CB 1.600 10 residues pruned to eliminate duplicates Z: 21 23.692 1.912 0.718 0.926 1.000 0.600 CA 1.131 20 residues pruned to eliminate duplicates Z: 10 10.070 1.793 0.776 0.475 1.000 0.556 CB 1.082 8 residues pruned to eliminate duplicates Z: 29 15.110 2.075 0.472 0.271 0.857 0.429 CB 1.415 29 residues pruned to eliminate duplicates Z: 6 4.117 1.777 -0.132 0.567 0.800 0.600 CA 1.399 6 residues pruned to eliminate duplicates Z: 11 17.029 2.221 0.182 0.879 1.000 0.700 CB 1.487 11 residues pruned to eliminate duplicates Z: 9 11.339 1.860 0.549 0.662 1.000 0.625 CB 1.197 Z: 7 8.635 1.992 -0.117 0.808 1.000 0.500 C 1.533 9 residues pruned to eliminate duplicates Z: 20 9.929 1.952 0.067 0.397 0.895 0.737 CB 1.363 20 residues pruned to eliminate duplicates Z: 15 10.733 1.976 0.418 0.490 0.786 0.429 CA 1.316 15 residues pruned to eliminate duplicates Z: 14 18.935 2.032 1.003 0.884 0.769 0.385 CA 1.212 14 residues pruned to eliminate duplicates Z: 11 11.014 1.775 0.536 0.466 0.900 0.500 N 1.470 11 residues pruned to eliminate duplicates Z: 21 38.628 2.217 0.856 0.925 0.950 0.450 CB 1.550 21 residues pruned to eliminate duplicates Z: 56 23.378 2.144 0.454 0.321 0.855 0.364 CB 1.442 56 residues pruned to eliminate duplicates Z: 21 29.150 2.044 0.486 0.884 0.950 0.700 N 1.632 21 residues pruned to eliminate duplicates Z: 18 18.870 2.049 0.445 0.831 0.882 0.588 CA 1.316 18 residues pruned to eliminate duplicates Z: 11 9.975 1.632 0.610 0.753 0.900 0.600 CA 1.065 Z: 7 9.015 2.289 0.174 0.343 1.000 0.333 CA 1.626 6 residues pruned to eliminate duplicates Z: 41 26.752 2.155 0.504 0.639 0.750 0.375 CB 1.528 32 residues pruned to eliminate duplicates Z: 12 7.743 2.094 0.343 0.386 0.909 0.636 CB 1.031 12 residues pruned to eliminate duplicates Z: 6 3.616 1.666 0.781 0.510 0.800 0.400 CB 0.674 Z: 16 8.105 1.585 0.365 0.421 0.867 0.467 C 1.211 16 residues pruned to eliminate duplicates Z: 6 4.627 1.901 0.249 0.470 0.600 0.400 CA 1.497 6 residues pruned to eliminate duplicates Z: 22 34.520 1.938 0.934 0.907 0.952 0.476 CA 1.499 22 residues pruned to eliminate duplicates Z: 19 19.893 2.100 0.363 0.850 1.000 0.667 CB 1.214 19 residues pruned to eliminate duplicates Z: 36 22.305 1.957 0.648 0.580 0.829 0.429 CB 1.306 25 residues pruned to eliminate duplicates Z: 9 11.981 2.015 0.628 0.854 0.875 0.750 CA 1.089 9 residues pruned to eliminate duplicates Z: 19 16.526 2.034 0.342 0.521 1.000 0.667 CB 1.398 19 residues pruned to eliminate duplicates Z: 6 2.839 1.626 -0.054 0.412 0.800 0.600 N 1.133 Z: 8 5.062 1.822 0.231 0.358 0.714 0.429 CA 1.392 8 residues pruned to eliminate duplicates Z: 6 4.780 1.648 0.215 0.507 0.800 0.400 CA 1.325 6 residues pruned to eliminate duplicates Z: 44 31.554 2.046 0.533 0.529 0.930 0.605 CA 1.602 52 residues pruned to eliminate duplicates 6 1.925 1.660 -0.232 0.482 0.800 0.800 CB 0.859 ? Z: 7 7.490 1.850 0.449 0.485 0.833 0.333 CB 1.389 Z: 6 10.702 1.841 0.595 0.773 1.000 0.400 N 1.279 6 residues pruned to eliminate duplicates Z: 9 4.147 1.683 0.182 0.193 1.000 0.250 CA 1.064 7 residues pruned to eliminate duplicates Z: 18 20.530 2.112 0.695 0.909 0.941 0.588 CA 1.048 18 residues pruned to eliminate duplicates Z: 37 20.721 2.021 0.307 0.449 0.944 0.639 CA 1.459 37 residues pruned to eliminate duplicates Z: 19 26.341 2.146 0.585 0.918 0.944 0.556 CA 1.363 19 residues pruned to eliminate duplicates Z: 17 10.440 2.028 0.166 0.409 0.812 0.375 CB 1.494 17 residues pruned to eliminate duplicates Z: 12 11.436 1.926 0.415 0.312 1.000 0.455 CB 1.558 12 residues pruned to eliminate duplicates Z: 11 3.873 1.441 -0.044 0.463 0.900 0.500 CB 1.025 Z: 23 30.320 1.998 0.577 0.883 0.955 0.591 CA 1.554 23 residues pruned to eliminate duplicates Z: 9 8.029 1.994 0.324 0.436 1.000 0.500 CB 1.148 9 residues pruned to eliminate duplicates Z: 11 12.570 1.789 0.334 0.774 0.900 0.300 CA 1.452 10 residues pruned to eliminate duplicates Z: 10 12.508 1.811 0.898 0.531 0.889 0.444 CA 1.324 10 residues pruned to eliminate duplicates Z: 7 5.854 1.502 1.152 0.395 0.667 0.500 N 1.239 Z: 15 12.028 2.118 0.440 0.847 0.571 0.357 CB 1.369 15 residues pruned to eliminate duplicates Z: 11 6.494 1.897 0.301 0.280 0.800 0.600 CA 1.334 10 residues pruned to eliminate duplicates Z: 17 12.148 1.914 0.379 0.515 0.875 0.562 CB 1.295 13 residues pruned to eliminate duplicates Z: 45 18.939 1.982 0.256 0.428 0.864 0.545 CB 1.431 45 residues pruned to eliminate duplicates Z: 30 16.863 2.078 0.247 0.392 0.931 0.448 CB 1.455 30 residues pruned to eliminate duplicates Z: 20 32.805 2.262 0.548 0.832 0.947 0.632 CB 1.702 20 residues pruned to eliminate duplicates Z: 10 11.934 1.774 0.584 0.848 1.000 0.667 CA 1.049 11 residues pruned to eliminate duplicates Z: 6 3.859 1.712 0.550 0.467 0.800 0.400 CA 0.840 Z: 9 4.887 1.811 0.328 0.453 0.875 0.375 CB 0.862 9 residues pruned to eliminate duplicates Z: 12 19.492 1.981 0.384 0.891 1.000 0.909 CA 1.541 12 residues pruned to eliminate duplicates Z: 9 9.226 2.095 0.482 0.381 0.875 0.250 CB 1.362 9 residues pruned to eliminate duplicates Z: 7 4.469 1.840 0.099 0.372 0.833 0.333 CB 1.242 4 residues pruned to eliminate duplicates Z: 11 12.366 1.671 0.664 0.744 1.000 0.700 CA 1.130 10 residues pruned to eliminate duplicates Z: 20 10.009 2.064 0.103 0.407 0.895 0.263 CB 1.243 20 residues pruned to eliminate duplicates 6 1.498 1.364 0.120 0.299 0.600 0.400 CA 0.915 ? Z: 12 10.884 2.036 0.339 0.481 0.818 0.545 CA 1.499 12 residues pruned to eliminate duplicates Z: 7 9.103 1.876 0.377 0.502 1.000 0.500 CA 1.435 7 residues pruned to eliminate duplicates Z: 17 19.917 2.009 0.581 0.883 0.938 0.812 CA 1.210 17 residues pruned to eliminate duplicates Z: 6 2.786 1.285 0.361 0.671 0.800 0.600 CB 0.760 Z: 22 19.770 2.050 0.346 0.600 1.000 0.667 CB 1.421 23 residues pruned to eliminate duplicates Z: 11 11.453 1.962 0.523 0.496 1.000 0.500 CB 1.218 10 residues pruned to eliminate duplicates Z: 16 15.804 1.834 0.691 0.496 0.867 0.467 CA 1.524 21 residues pruned to eliminate duplicates Z: 18 9.956 1.959 0.284 0.415 0.824 0.412 CB 1.274 18 residues pruned to eliminate duplicates Z: 16 19.575 2.067 0.657 0.905 0.933 0.400 CA 1.126 16 residues pruned to eliminate duplicates Z: 7 3.317 1.589 0.227 0.531 0.833 0.333 CB 0.808 Z: 15 28.127 2.149 0.876 0.882 0.786 0.429 CB 1.717 15 residues pruned to eliminate duplicates Z: 6 2.116 1.641 0.221 0.285 0.600 0.400 CA 1.004 6 residues pruned to eliminate duplicates Z: 9 2.751 1.552 0.795 0.329 0.875 0.750 CB 0.482 Z: 8 2.789 1.501 0.088 0.275 0.714 0.286 CB 1.166 Z: 29 14.439 1.815 0.336 0.503 0.929 0.536 CB 1.208 29 residues pruned to eliminate duplicates Z: 14 7.133 1.923 0.370 0.546 0.769 0.615 CA 0.933 14 residues pruned to eliminate duplicates Z: 23 25.460 1.970 0.399 0.898 1.000 0.909 CA 1.409 23 residues pruned to eliminate duplicates Z: 14 12.044 2.000 0.230 0.592 0.846 0.769 CB 1.469 14 residues pruned to eliminate duplicates Z: 13 16.549 1.988 0.155 0.758 1.000 0.500 CB 1.654 13 residues pruned to eliminate duplicates Z: 16 10.892 1.850 0.319 0.461 1.000 0.467 CB 1.199 16 residues pruned to eliminate duplicates Z: 11 18.943 2.131 0.493 0.892 1.000 0.900 CB 1.353 11 residues pruned to eliminate duplicates Z: 9 6.105 1.746 0.185 0.246 1.000 0.625 CA 1.398 9 residues pruned to eliminate duplicates Z: 13 9.722 1.751 0.228 0.585 0.917 0.583 CA 1.313 13 residues pruned to eliminate duplicates Z: 7 9.466 1.598 0.569 0.682 1.000 0.667 CB 1.305 Z: 10 4.412 1.598 0.268 0.316 0.778 0.556 CB 1.144 10 residues pruned to eliminate duplicates Z: 13 11.677 1.937 0.383 0.742 0.917 0.750 CA 1.105 13 residues pruned to eliminate duplicates 6 0.039 1.408 0.623 0.367 0.600 0.400 CB 0.015 ? Z: 14 21.132 2.163 0.646 0.909 0.923 0.462 CB 1.266 14 residues pruned to eliminate duplicates Z: 31 25.575 2.123 0.550 0.504 0.933 0.567 CB 1.514 32 residues pruned to eliminate duplicates Z: 6 2.408 1.781 -0.024 0.398 0.800 0.600 CB 0.863 6 residues pruned to eliminate duplicates 7 1.928 1.675 -0.453 0.429 0.833 0.667 CB 1.110 ? Z: 32 13.804 2.046 0.349 0.352 0.742 0.387 CB 1.421 32 residues pruned to eliminate duplicates Z: 6 10.303 1.658 0.532 0.824 1.000 1.000 C 1.370 Z: 6 2.910 1.476 0.740 0.503 0.800 0.400 CB 0.632 Z: 11 5.822 1.826 0.538 0.384 0.800 0.500 CB 0.927 Z: 6 7.297 1.720 0.254 0.775 1.000 1.000 CB 1.187 Z: 11 7.393 1.768 0.244 0.420 0.900 0.600 CB 1.284 11 residues pruned to eliminate duplicates Z: 14 14.714 2.184 0.276 0.853 0.846 0.538 CB 1.280 14 residues pruned to eliminate duplicates Z: 13 10.846 1.952 0.141 0.759 0.917 0.583 CA 1.218 13 residues pruned to eliminate duplicates Z: 8 4.996 1.611 0.542 0.450 0.857 0.429 CA 0.933 Z: 6 2.221 1.169 0.116 0.457 0.800 0.800 CA 0.995 Z: 7 3.003 1.498 -0.042 0.491 1.000 0.333 CB 0.862 Z: 7 5.456 1.939 0.215 0.559 0.833 0.500 CA 1.072 7 residues pruned to eliminate duplicates Z: 37 18.229 2.132 0.338 0.355 0.861 0.472 CB 1.447 37 residues pruned to eliminate duplicates Z: 9 6.913 1.776 -0.006 0.812 0.875 0.625 CB 1.206 9 residues pruned to eliminate duplicates Z: 38 19.927 2.155 0.362 0.375 0.865 0.486 CA 1.474 38 residues pruned to eliminate duplicates Z: 48 18.835 2.009 0.376 0.380 0.851 0.383 CB 1.328 48 residues pruned to eliminate duplicates Z: 6 4.589 1.596 -0.086 0.639 1.000 0.600 CB 1.235 Z: 9 2.079 1.489 -0.085 0.256 0.750 0.500 CA 0.952 9 residues pruned to eliminate duplicates Z: 6 2.850 1.501 0.207 0.609 1.000 1.000 CA 0.634 5 residues pruned to eliminate duplicates Z: 10 9.449 2.261 -0.007 0.736 0.778 0.667 CB 1.459 10 residues pruned to eliminate duplicates Z: 8 6.437 1.693 0.678 0.517 0.857 0.429 CB 0.982 Z: 11 9.914 1.751 0.314 0.644 0.900 0.800 CB 1.324 8 residues pruned to eliminate duplicates Z: 11 13.073 2.218 0.450 0.394 0.900 0.600 CA 1.597 11 residues pruned to eliminate duplicates Z: 16 11.868 1.903 0.665 0.303 0.933 0.533 CA 1.290 16 residues pruned to eliminate duplicates Z: 6 5.072 1.637 0.554 0.493 1.000 0.400 CB 0.898 9 residues pruned to eliminate duplicates Z: 23 11.979 1.753 0.419 0.431 0.909 0.682 CA 1.213 23 residues pruned to eliminate duplicates 6 1.245 1.515 -0.107 0.565 1.000 0.400 CB 0.387 ? Z: 14 8.290 1.842 0.260 0.435 0.846 0.462 CB 1.251 10 residues pruned to eliminate duplicates Z: 37 30.848 2.194 0.543 0.646 0.861 0.389 CB 1.539 37 residues pruned to eliminate duplicates Z: 10 13.408 2.154 0.587 0.819 0.778 0.333 CB 1.275 10 residues pruned to eliminate duplicates Z: 23 18.588 2.028 0.307 0.559 1.000 0.591 CA 1.411 23 residues pruned to eliminate duplicates Z: 9 5.615 1.526 0.916 0.375 0.750 0.500 CA 1.035 Z: 11 18.433 1.900 1.169 0.847 0.900 0.700 CA 1.167 12 residues pruned to eliminate duplicates Z: 20 7.316 1.611 0.351 0.385 0.737 0.368 CB 1.183 6 residues pruned to eliminate duplicates Z: 11 4.497 1.772 -0.062 0.383 0.800 0.700 CB 1.211 Z: 18 18.483 2.062 0.365 0.531 1.000 0.588 CB 1.544 18 residues pruned to eliminate duplicates Z: 20 20.511 1.981 0.691 0.773 0.947 0.579 CA 1.165 20 residues pruned to eliminate duplicates Z: 10 12.916 1.952 0.153 0.844 1.000 0.556 CA 1.424 10 residues pruned to eliminate duplicates Z: 6 3.717 1.652 0.061 0.570 1.000 0.600 CB 0.887 6 residues pruned to eliminate duplicates Z: 6 5.755 1.610 0.658 0.473 1.000 0.800 CA 0.991 6 residues pruned to eliminate duplicates Z: 7 4.534 1.525 0.264 0.679 0.833 0.667 CB 0.978 Z: 20 17.669 1.954 0.740 0.880 0.842 0.368 CA 1.026 19 residues pruned to eliminate duplicates Z: 7 2.528 1.552 -0.091 0.518 0.833 0.833 CA 0.862 7 residues pruned to eliminate duplicates Z: 12 14.841 2.139 0.296 0.897 0.909 0.636 CB 1.272 12 residues pruned to eliminate duplicates Z: 19 14.995 2.242 0.424 0.323 0.833 0.389 CA 1.613 19 residues pruned to eliminate duplicates Z: 14 10.699 1.944 0.187 0.513 0.923 0.615 CB 1.375 14 residues pruned to eliminate duplicates Z: 10 11.105 1.804 0.515 0.791 1.000 0.556 CA 1.049 10 residues pruned to eliminate duplicates Z: 13 2.623 1.588 0.124 0.270 0.667 0.417 CB 0.827 Z: 8 8.910 1.930 0.696 0.726 0.857 0.857 CA 0.979 8 residues pruned to eliminate duplicates Z: 7 2.567 1.331 0.303 0.167 0.833 0.333 N 1.087 Z: 39 32.806 2.210 0.391 0.624 0.947 0.553 CB 1.627 38 residues pruned to eliminate duplicates Z: 9 4.445 1.692 0.066 0.432 0.875 0.375 CB 1.069 7 1.802 1.364 -0.080 0.339 0.833 0.667 C 0.838 ? Z: 16 15.377 2.017 0.361 0.748 0.867 0.800 CB 1.338 16 residues pruned to eliminate duplicates Z: 20 27.002 2.126 0.363 0.890 1.000 0.789 CB 1.539 20 residues pruned to eliminate duplicates Z: 8 6.520 1.554 0.459 0.469 1.000 0.429 CA 1.121 8 residues pruned to eliminate duplicates Z: 9 4.013 1.575 0.590 0.297 0.625 0.250 CA 1.138 Z: 21 11.943 1.883 0.260 0.502 0.850 0.550 CB 1.322 21 residues pruned to eliminate duplicates Z: 8 2.005 1.365 0.288 0.241 0.571 0.429 C 1.018 Z: 12 18.100 2.157 0.207 0.838 1.000 0.818 CB 1.567 15 residues pruned to eliminate duplicates Z: 6 3.829 1.429 0.665 0.554 0.800 0.400 N 0.854 Z: 7 2.554 1.729 0.224 0.235 0.833 0.667 CB 0.804 7 residues pruned to eliminate duplicates Z: 22 19.868 2.071 0.571 0.430 0.905 0.476 CA 1.584 22 residues pruned to eliminate duplicates Z: 9 6.402 1.700 0.338 0.403 0.750 0.500 C 1.469 9 residues pruned to eliminate duplicates 6 1.853 1.352 0.519 0.341 0.600 0.400 N 0.800 ? Z: 6 2.341 1.506 0.391 0.297 0.600 0.600 N 1.045 Z: 9 6.504 1.910 0.200 0.563 0.750 0.750 CA 1.258 9 residues pruned to eliminate duplicates Z: 11 3.371 1.411 0.581 0.296 0.900 0.600 CB 0.667 Z: 16 24.617 2.055 0.567 0.815 0.933 0.600 CB 1.609 16 residues pruned to eliminate duplicates Z: 8 9.580 1.871 0.788 0.858 0.857 0.429 CA 0.929 8 residues pruned to eliminate duplicates Z: 9 5.792 1.825 0.069 0.359 0.750 0.250 CB 1.630 7 residues pruned to eliminate duplicates Z: 14 8.541 1.777 0.426 0.386 0.923 0.538 CB 1.143 14 residues pruned to eliminate duplicates Z: 11 19.518 2.094 0.456 0.862 1.000 0.600 CB 1.487 11 residues pruned to eliminate duplicates Z: 8 3.195 1.645 0.265 0.304 0.714 0.286 CB 1.011 8 residues pruned to eliminate duplicates Z: 12 3.462 1.613 0.233 0.436 0.818 0.818 CB 0.685 12 residues pruned to eliminate duplicates Z: 46 36.470 2.125 0.779 0.614 0.844 0.378 CB 1.529 46 residues pruned to eliminate duplicates Z: 40 21.357 2.158 0.298 0.402 0.923 0.462 CB 1.466 40 residues pruned to eliminate duplicates Z: 10 7.406 1.713 0.558 0.352 0.889 0.556 N 1.221 10 residues pruned to eliminate duplicates Z: 17 16.598 2.003 0.541 0.632 0.938 0.688 CB 1.268 17 residues pruned to eliminate duplicates 8 1.873 1.623 0.011 0.270 0.714 0.714 CB 0.784 ? Z: 9 4.577 1.538 0.077 0.473 0.875 0.500 O 1.147 6 residues pruned to eliminate duplicates 6 1.352 1.286 0.021 0.331 1.000 0.800 CB 0.554 ? Z: 14 14.231 1.895 0.540 0.512 0.923 0.615 CA 1.449 14 residues pruned to eliminate duplicates Z: 6 4.214 1.636 0.220 0.597 0.600 0.400 C 1.434 6 residues pruned to eliminate duplicates Z: 21 26.403 2.172 0.581 0.886 0.900 0.600 CB 1.379 21 residues pruned to eliminate duplicates Z: 8 2.160 1.279 0.375 0.468 0.857 0.571 CA 0.560 Z: 12 13.230 1.918 0.237 0.681 0.909 0.818 CB 1.565 12 residues pruned to eliminate duplicates Z: 13 10.619 2.118 0.487 0.307 0.750 0.333 CB 1.609 13 residues pruned to eliminate duplicates Z: 6 4.167 1.447 0.788 0.284 0.800 0.600 O 1.148 6 1.699 1.400 0.402 0.297 0.800 0.400 CB 0.607 ? Z: 9 4.072 1.722 0.308 0.453 0.625 0.500 CA 1.074 9 residues pruned to eliminate duplicates Z: 36 32.505 2.201 0.677 0.568 0.886 0.514 CA 1.573 36 residues pruned to eliminate duplicates Z: 10 8.107 1.781 0.289 0.507 1.000 0.667 CB 1.169 10 residues pruned to eliminate duplicates Z: 7 2.717 1.520 0.110 0.308 1.000 0.500 C 0.813 Z: 10 11.517 1.865 0.445 0.553 0.889 0.444 CA 1.522 8 residues pruned to eliminate duplicates 6 1.757 1.284 0.312 0.485 0.600 0.400 C 0.789 ? Z: 13 34.883 2.218 1.040 0.831 0.917 0.583 CB 1.825 13 residues pruned to eliminate duplicates Z: 17 5.809 1.605 0.392 0.287 0.812 0.438 CB 1.017 17 residues pruned to eliminate duplicates Z: 11 10.883 2.066 0.276 0.478 0.900 0.500 CA 1.484 11 residues pruned to eliminate duplicates Z: 11 7.755 1.573 0.382 0.470 0.900 0.300 O 1.292 11 residues pruned to eliminate duplicates Z: 6 3.042 1.546 -0.286 0.590 1.000 0.400 CB 1.131 6 residues pruned to eliminate duplicates 7 1.808 1.225 0.460 0.302 0.833 0.500 N 0.617 ? Z: 11 4.862 1.685 0.284 0.417 0.800 0.500 CB 0.969 9 residues pruned to eliminate duplicates Z: 10 12.075 1.797 0.953 0.561 0.889 0.556 CA 1.215 9 residues pruned to eliminate duplicates Z: 19 9.863 1.974 0.254 0.291 0.833 0.500 CB 1.426 18 residues pruned to eliminate duplicates Z: 33 15.949 2.054 0.185 0.427 0.875 0.531 CA 1.429 33 residues pruned to eliminate duplicates Z: 72 39.456 2.150 0.441 0.600 0.930 0.662 CB 1.479 72 residues pruned to eliminate duplicates Z: 26 18.114 2.118 0.327 0.378 0.960 0.520 CA 1.529 26 residues pruned to eliminate duplicates Z: 7 4.365 1.993 -0.056 0.383 0.833 0.500 CA 1.286 7 residues pruned to eliminate duplicates Z: 36 32.595 2.049 0.521 0.684 0.943 0.714 CB 1.584 36 residues pruned to eliminate duplicates Z: 16 7.972 1.686 0.329 0.360 0.933 0.467 CB 1.145 16 residues pruned to eliminate duplicates Z: 6 2.336 1.259 0.073 0.677 1.000 1.000 CB 0.657 Z: 19 15.169 1.861 0.572 0.530 0.944 0.500 CA 1.257 25 residues pruned to eliminate duplicates Z: 7 3.543 1.525 0.256 0.400 1.000 0.500 CB 0.840 Z: 50 23.072 2.180 0.437 0.309 0.816 0.347 CA 1.592 50 residues pruned to eliminate duplicates Z: 15 7.115 1.627 0.384 0.400 0.857 0.429 CB 1.094 13 residues pruned to eliminate duplicates Z: 8 3.555 1.499 0.372 0.431 0.571 0.429 N 1.229 Z: 6 7.855 1.606 0.660 0.801 1.000 0.600 CA 1.013 6 residues pruned to eliminate duplicates 8 1.563 1.532 0.262 0.218 0.429 0.286 CB 0.994 ? Z: 8 4.307 1.456 0.376 0.449 0.857 0.571 N 1.000 Z: 15 11.825 1.985 0.424 0.434 0.857 0.571 CA 1.397 15 residues pruned to eliminate duplicates Z: 9 7.163 1.635 0.507 0.727 0.875 0.625 CB 0.957 9 residues pruned to eliminate duplicates Z: 12 7.852 1.749 0.475 0.376 1.000 0.455 CB 1.047 11 residues pruned to eliminate duplicates 7 0.990 0.874 0.449 0.341 0.667 0.500 CA 0.569 ? Z: 14 15.879 1.977 0.488 0.857 1.000 0.846 CA 1.103 14 residues pruned to eliminate duplicates Z: 6 3.416 1.227 0.166 0.688 1.000 0.800 CA 0.898 6 residues pruned to eliminate duplicates Z: 46 24.379 2.145 0.348 0.559 0.844 0.467 CB 1.406 46 residues pruned to eliminate duplicates Z: 15 5.150 1.530 0.058 0.385 0.786 0.429 CB 1.222 15 residues pruned to eliminate duplicates Z: 17 13.741 1.999 0.385 0.587 0.875 0.625 CA 1.305 16 residues pruned to eliminate duplicates Z: 9 10.610 1.747 0.857 0.549 0.875 0.625 CB 1.259 Z: 6 3.533 1.123 0.674 0.843 0.800 0.800 CA 0.782 Z: 21 32.347 2.214 0.563 0.880 0.950 0.500 CB 1.594 21 residues pruned to eliminate duplicates Z: 10 5.617 1.605 0.280 0.391 0.778 0.444 CB 1.315 6 residues pruned to eliminate duplicates Z: 17 7.610 1.882 0.118 0.376 0.875 0.500 CB 1.180 17 residues pruned to eliminate duplicates Z: 11 5.669 1.768 0.441 0.472 0.800 0.400 CB 0.905 11 residues pruned to eliminate duplicates 6 1.280 1.588 0.233 0.205 0.400 0.400 CB 1.037 ? Z: 16 8.937 1.666 0.418 0.287 0.933 0.267 CB 1.329 10 residues pruned to eliminate duplicates Z: 10 2.024 1.383 0.026 0.428 0.667 0.444 CB 0.769 Z: 8 3.773 1.725 0.095 0.328 0.857 0.714 CB 1.064 8 residues pruned to eliminate duplicates Z: 9 9.137 1.850 0.634 0.828 0.875 0.750 CA 0.919 9 residues pruned to eliminate duplicates Z: 6 2.812 1.581 -0.100 0.654 0.800 0.800 C 0.958 Z: 7 2.659 1.445 -0.115 0.740 1.000 0.833 CB 0.685 Z: 9 2.679 1.457 0.005 0.439 0.875 0.500 CA 0.787 Z: 6 2.520 1.411 0.148 0.470 0.800 0.600 C 0.897 Z: 10 8.198 2.047 -0.177 0.684 1.000 0.889 CA 1.371 10 residues pruned to eliminate duplicates Z: 11 5.305 1.470 0.472 0.374 0.800 0.300 CA 1.108 11 residues pruned to eliminate duplicates Z: 17 13.292 2.079 0.262 0.442 1.000 0.500 CB 1.346 17 residues pruned to eliminate duplicates Z: 31 12.738 1.870 0.321 0.387 0.867 0.500 CB 1.224 31 residues pruned to eliminate duplicates Z: 22 9.788 1.792 0.483 0.397 0.714 0.381 CB 1.254 19 residues pruned to eliminate duplicates Z: 6 4.178 1.295 0.677 0.409 1.000 0.600 C 0.947 Z: 17 7.626 1.818 0.003 0.366 0.938 0.562 CB 1.288 17 residues pruned to eliminate duplicates Z: 6 2.707 1.602 0.039 0.250 1.000 0.200 C 0.970 Z: 12 4.738 1.824 0.415 0.304 0.818 0.455 CA 0.841 12 residues pruned to eliminate duplicates Z: 42 20.642 2.020 0.276 0.474 0.927 0.610 CA 1.385 43 residues pruned to eliminate duplicates Z: 8 2.905 1.451 0.329 0.353 0.714 0.571 CB 0.935 8 residues pruned to eliminate duplicates Z: 9 3.257 1.402 -0.036 0.571 0.875 0.500 CB 0.909 Z: 7 2.222 1.237 0.255 0.385 0.833 0.667 N 0.793 Z: 6 3.425 1.204 0.489 0.680 0.800 0.800 CA 0.905 Z: 6 3.344 1.645 -0.130 0.460 0.800 0.400 CB 1.361 Z: 6 3.090 1.375 0.539 0.447 0.800 0.600 CB 0.862 Z: 8 2.438 1.487 0.510 0.211 0.571 0.429 CB 1.010 Z: 8 3.929 1.597 0.081 0.301 0.857 0.429 CB 1.253 8 residues pruned to eliminate duplicates Z: 13 9.934 1.841 0.245 0.556 0.917 0.667 CA 1.292 13 residues pruned to eliminate duplicates Z: 8 3.808 1.331 0.192 0.520 0.857 0.571 N 1.039 Z: 13 8.526 1.711 0.329 0.484 1.000 0.750 CA 1.100 13 residues pruned to eliminate duplicates Z: 12 2.273 1.397 0.005 0.108 0.818 0.364 C 0.980 8 residues pruned to eliminate duplicates Z: 6 2.225 1.351 0.360 0.370 0.800 0.600 CB 0.778 Z: 23 16.162 1.898 0.438 0.614 0.864 0.636 CB 1.312 23 residues pruned to eliminate duplicates Z: 7 4.032 1.601 0.032 0.485 0.833 0.667 N 1.214 7 residues pruned to eliminate duplicates Z: 12 13.426 2.012 0.041 0.905 1.000 1.000 CA 1.376 12 residues pruned to eliminate duplicates Z: 11 5.124 1.569 0.582 0.348 0.800 0.300 CB 0.962 Z: 21 16.590 1.964 0.332 0.484 1.000 0.650 CB 1.441 21 residues pruned to eliminate duplicates Z: 9 8.047 1.884 0.300 0.468 0.875 0.625 C 1.372 9 residues pruned to eliminate duplicates Z: 24 11.409 1.956 0.326 0.287 0.826 0.522 CB 1.411 24 residues pruned to eliminate duplicates Z: 18 10.020 1.993 0.087 0.382 0.941 0.471 CB 1.351 18 residues pruned to eliminate duplicates Z: 21 13.124 1.962 0.301 0.512 0.850 0.700 CA 1.337 21 residues pruned to eliminate duplicates Z: 19 9.989 1.975 0.417 0.331 0.722 0.444 CB 1.402 19 residues pruned to eliminate duplicates Z: 7 4.822 1.768 0.272 0.605 1.000 0.667 CA 0.792 7 residues pruned to eliminate duplicates Z: 10 15.830 2.072 0.400 0.885 1.000 1.000 CA 1.314 10 residues pruned to eliminate duplicates 6 1.880 1.278 0.468 0.378 0.600 0.400 N 0.850 ? Z: 7 2.138 1.454 0.126 0.337 0.667 0.333 CB 0.956 Z: 8 2.616 1.514 -0.056 0.397 0.714 0.429 N 1.081 Z: 21 16.486 2.025 0.524 0.839 0.750 0.450 CB 1.189 21 residues pruned to eliminate duplicates 7 1.129 1.314 0.067 0.438 0.833 0.500 N 0.420 ? Z: 15 9.337 1.753 0.370 0.488 0.929 0.571 CA 1.132 15 residues pruned to eliminate duplicates Z: 20 37.473 2.270 0.761 0.916 0.895 0.526 CB 1.697 20 residues pruned to eliminate duplicates Z: 15 20.904 1.755 1.196 0.885 0.929 0.643 CA 1.127 15 residues pruned to eliminate duplicates Z: 23 10.007 1.797 0.294 0.370 0.864 0.545 CB 1.220 24 residues pruned to eliminate duplicates Z: 10 10.412 1.905 0.681 0.725 0.667 0.222 CB 1.328 10 residues pruned to eliminate duplicates Z: 13 7.955 1.941 0.200 0.452 0.917 0.583 CA 1.130 13 residues pruned to eliminate duplicates Z: 13 6.740 2.074 0.240 0.407 0.667 0.333 CA 1.251 13 residues pruned to eliminate duplicates Z: 25 11.900 1.978 0.299 0.325 0.875 0.417 CB 1.310 25 residues pruned to eliminate duplicates Z: 6 2.209 1.283 0.498 0.271 0.800 0.400 C 0.833 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 9 7.580 1.885 0.207 0.384 0.875 0.625 C 1.523 9 residues pruned to eliminate duplicates Z: 14 11.900 1.780 0.422 0.465 0.923 0.462 C 1.464 23 residues pruned to eliminate duplicates Z: 7 4.575 1.529 0.584 0.577 0.833 0.500 CA 0.859 6 residues pruned to eliminate duplicates Z: 7 4.246 1.451 -0.011 0.488 1.000 0.667 N 1.223 7 residues pruned to eliminate duplicates Z: 8 6.484 1.814 0.054 0.509 0.857 0.571 CA 1.483 8 residues pruned to eliminate duplicates Z: 8 6.456 1.846 0.149 0.351 1.000 0.429 CA 1.352 16 residues pruned to eliminate duplicates Z: 6 10.590 1.844 0.428 0.756 1.000 0.400 CA 1.432 6 residues pruned to eliminate duplicates Z: 14 9.175 1.625 0.272 0.463 1.000 0.615 CA 1.279 12 residues pruned to eliminate duplicates Z: 7 7.076 1.655 0.363 0.777 0.833 0.833 CA 1.203 7 residues pruned to eliminate duplicates Z: 12 10.088 2.147 0.236 0.472 0.727 0.455 CA 1.621 12 residues pruned to eliminate duplicates Z: 16 9.881 1.879 0.298 0.413 0.867 0.533 CA 1.322 16 residues pruned to eliminate duplicates Z: 14 10.266 2.006 0.202 0.494 0.846 0.538 CA 1.404 14 residues pruned to eliminate duplicates Z: 14 12.232 2.036 0.330 0.500 0.846 0.538 CA 1.480 14 residues pruned to eliminate duplicates Z: 14 12.404 1.986 0.317 0.505 0.923 0.692 CA 1.418 14 residues pruned to eliminate duplicates Z: 14 14.672 1.993 0.415 0.560 0.923 0.692 CB 1.475 14 residues pruned to eliminate duplicates Z: 6 6.267 1.701 0.312 0.460 1.000 0.800 CB 1.309 6 residues pruned to eliminate duplicates Z: 11 13.015 2.164 0.258 0.557 0.900 0.600 CA 1.590 11 residues pruned to eliminate duplicates Z: 13 10.738 2.063 0.197 0.480 0.833 0.583 N 1.537 13 residues pruned to eliminate duplicates Z: 16 13.838 1.959 0.335 0.559 1.000 0.533 CB 1.290 16 residues pruned to eliminate duplicates Z: 15 12.469 1.969 0.235 0.514 0.929 0.429 CB 1.456 15 residues pruned to eliminate duplicates Z: 15 10.079 1.823 0.330 0.608 0.929 0.500 CB 1.080 15 residues pruned to eliminate duplicates Z: 10 12.484 2.083 0.535 0.334 1.000 0.556 CA 1.561 10 residues pruned to eliminate duplicates Z: 6 3.546 1.606 0.765 0.311 0.800 0.600 CA 0.862 6 residues pruned to eliminate duplicates Z: 9 12.094 2.006 0.731 0.391 0.875 0.500 CA 1.581 9 residues pruned to eliminate duplicates Z: 13 9.766 1.788 0.658 0.289 0.833 0.500 CA 1.446 12 residues pruned to eliminate duplicates Z: 6 5.855 1.549 0.467 0.694 0.800 0.600 CA 1.206 Z: 6 2.573 1.409 0.282 0.516 0.800 0.600 CA 0.784 Z: 8 6.434 1.721 0.407 0.611 1.000 0.429 CA 0.904 8 residues pruned to eliminate duplicates Z: 12 11.509 1.966 0.505 0.449 0.909 0.455 CA 1.360 24 residues pruned to eliminate duplicates Z: 6 2.749 1.779 0.304 0.541 0.800 0.400 CA 0.636 6 residues pruned to eliminate duplicates Z: 17 10.745 1.905 0.197 0.405 0.875 0.375 CB 1.488 17 residues pruned to eliminate duplicates Z: 15 9.247 1.838 0.236 0.484 0.786 0.357 CA 1.408 15 residues pruned to eliminate duplicates Z: 12 12.048 1.852 0.408 0.465 0.909 0.364 CA 1.588 15 residues pruned to eliminate duplicates Z: 6 4.772 1.701 0.406 0.215 1.000 0.600 CA 1.247 6 residues pruned to eliminate duplicates Z: 10 11.187 1.950 0.326 0.493 1.000 0.444 CA 1.453 10 residues pruned to eliminate duplicates Z: 17 10.486 1.856 0.313 0.470 0.875 0.438 CA 1.267 15 residues pruned to eliminate duplicates Z: 14 10.051 1.872 0.354 0.470 0.846 0.385 CB 1.339 14 residues pruned to eliminate duplicates Z: 18 12.198 1.870 0.350 0.421 0.941 0.471 CA 1.352 16 residues pruned to eliminate duplicates Z: 7 5.899 1.645 0.203 0.710 0.833 0.167 CA 1.207 7 residues pruned to eliminate duplicates Z: 23 14.953 1.962 0.293 0.460 0.955 0.409 CB 1.372 23 residues pruned to eliminate duplicates Z: 7 5.488 1.881 0.130 0.389 0.833 0.000 N 1.423 7 residues pruned to eliminate duplicates Z: 18 17.235 2.014 0.462 0.534 0.941 0.588 CA 1.459 18 residues pruned to eliminate duplicates Z: 20 17.571 2.115 0.198 0.515 1.000 0.737 CA 1.568 20 residues pruned to eliminate duplicates Z: 20 18.826 2.096 0.251 0.587 1.000 0.632 CB 1.515 20 residues pruned to eliminate duplicates Z: 16 19.658 1.998 0.515 0.616 1.000 0.800 CA 1.502 16 residues pruned to eliminate duplicates Z: 22 17.892 2.050 0.403 0.507 0.952 0.619 CA 1.416 22 residues pruned to eliminate duplicates Z: 20 18.636 2.129 0.342 0.532 0.947 0.632 CA 1.531 20 residues pruned to eliminate duplicates Z: 21 15.204 2.028 0.409 0.483 0.900 0.650 CB 1.344 21 residues pruned to eliminate duplicates Z: 20 17.625 2.043 0.351 0.515 0.947 0.684 CB 1.524 20 residues pruned to eliminate duplicates Z: 6 2.314 1.428 0.305 0.291 0.800 0.600 CB 0.877 6 residues pruned to eliminate duplicates Z: 21 16.084 2.021 0.425 0.525 0.900 0.700 CB 1.354 21 residues pruned to eliminate duplicates Z: 21 13.844 2.057 0.288 0.513 0.900 0.550 CB 1.282 21 residues pruned to eliminate duplicates Z: 24 15.893 1.988 0.325 0.477 0.913 0.435 CB 1.410 24 residues pruned to eliminate duplicates Z: 18 19.451 2.185 0.499 0.520 0.941 0.765 CB 1.501 18 residues pruned to eliminate duplicates Z: 21 21.288 2.109 0.363 0.541 1.000 0.550 CA 1.591 21 residues pruned to eliminate duplicates Z: 8 3.276 1.581 0.170 0.351 1.000 0.714 CB 0.786 8 residues pruned to eliminate duplicates Z: 21 21.564 2.077 0.518 0.524 1.000 0.600 CB 1.494 21 residues pruned to eliminate duplicates Z: 7 4.618 1.709 0.689 0.402 0.667 0.333 CB 1.086 7 residues pruned to eliminate duplicates Z: 12 4.990 1.864 0.517 0.441 0.636 0.273 CB 0.888 9 residues pruned to eliminate duplicates Z: 9 6.357 1.521 0.403 0.575 0.875 0.250 CB 1.120 9 residues pruned to eliminate duplicates Z: 19 4.120 1.715 0.069 0.463 0.778 0.333 CB 0.707 19 residues pruned to eliminate duplicates Z: 19 8.386 1.721 0.498 0.465 0.889 0.500 CB 0.894 22 residues pruned to eliminate duplicates Z: 6 3.354 1.684 -0.142 0.491 1.000 1.000 CB 1.048 6 residues pruned to eliminate duplicates Z: 6 2.463 1.630 0.182 0.100 0.800 0.200 CB 1.191 5 residues pruned to eliminate duplicates Z: 6 5.639 1.703 0.500 0.747 1.000 0.600 CA 0.792 6 residues pruned to eliminate duplicates Z: 12 6.765 1.766 0.438 0.353 0.909 0.182 CA 1.035 11 residues pruned to eliminate duplicates Z: 8 5.675 1.676 0.150 0.606 1.000 0.286 CA 1.006 8 residues pruned to eliminate duplicates Z: 8 4.362 1.464 0.253 0.613 0.857 0.429 CA 0.942 8 residues pruned to eliminate duplicates Z: 16 8.165 1.802 0.503 0.346 0.733 0.267 CB 1.255 16 residues pruned to eliminate duplicates Z: 10 10.125 1.914 0.618 0.443 0.889 0.333 CA 1.301 10 residues pruned to eliminate duplicates Z: 11 9.612 1.875 0.278 0.477 0.900 0.300 CA 1.443 11 residues pruned to eliminate duplicates Z: 7 6.406 1.886 0.418 0.359 0.833 0.500 CA 1.366 7 residues pruned to eliminate duplicates Z: 59 25.704 2.124 0.370 0.390 0.879 0.431 CB 1.483 65 residues pruned to eliminate duplicates Z: 10 5.984 1.832 0.276 0.346 0.778 0.222 N 1.296 10 residues pruned to eliminate duplicates Z: 8 11.567 2.071 0.586 0.557 0.857 0.286 CA 1.469 8 residues pruned to eliminate duplicates Z: 15 6.556 1.773 0.225 0.283 0.929 0.429 CB 1.110 15 residues pruned to eliminate duplicates Z: 23 15.849 1.915 0.401 0.426 0.955 0.545 CA 1.425 26 residues pruned to eliminate duplicates Z: 6 8.186 1.829 0.813 0.483 1.000 0.600 CB 1.123 6 residues pruned to eliminate duplicates Z: 20 14.240 1.976 0.474 0.468 0.947 0.684 CB 1.223 20 residues pruned to eliminate duplicates Z: 17 13.064 2.003 0.489 0.458 0.938 0.562 CB 1.220 17 residues pruned to eliminate duplicates Z: 20 17.231 2.021 0.509 0.447 1.000 0.789 CB 1.369 25 residues pruned to eliminate duplicates Z: 6 6.183 1.725 0.761 0.430 0.800 0.800 CA 1.224 6 residues pruned to eliminate duplicates Z: 19 12.102 1.940 0.414 0.389 0.944 0.667 CA 1.238 19 residues pruned to eliminate duplicates Z: 13 12.720 2.033 0.486 0.504 1.000 0.583 CA 1.211 13 residues pruned to eliminate duplicates Z: 20 15.316 1.997 0.374 0.477 0.947 0.737 CB 1.383 19 residues pruned to eliminate duplicates Z: 19 19.773 2.017 0.500 0.840 0.944 0.389 CA 1.217 19 residues pruned to eliminate duplicates Z: 25 12.813 2.024 0.188 0.575 0.917 0.500 CA 1.103 25 residues pruned to eliminate duplicates Z: 23 21.993 2.060 0.728 0.736 0.864 0.364 CA 1.234 23 residues pruned to eliminate duplicates Z: 37 29.406 2.043 0.599 0.670 0.972 0.556 CA 1.319 37 residues pruned to eliminate duplicates Z: 30 23.985 2.097 0.504 0.690 0.966 0.448 CA 1.230 30 residues pruned to eliminate duplicates Z: 38 23.431 2.032 0.595 0.585 0.865 0.378 CA 1.266 38 residues pruned to eliminate duplicates Z: 18 23.734 2.115 0.721 0.896 0.941 0.353 CA 1.203 18 residues pruned to eliminate duplicates Z: 16 23.071 2.065 1.063 0.818 0.933 0.533 CA 1.136 16 residues pruned to eliminate duplicates Z: 60 28.310 1.993 0.512 0.583 0.881 0.475 CA 1.281 58 residues pruned to eliminate duplicates Z: 16 22.190 2.021 1.029 0.897 0.867 0.467 CA 1.154 16 residues pruned to eliminate duplicates Z: 49 27.236 2.005 0.479 0.667 0.938 0.479 CA 1.211 49 residues pruned to eliminate duplicates Z: 29 24.736 2.126 0.747 0.718 0.821 0.464 CA 1.258 29 residues pruned to eliminate duplicates Z: 39 25.162 2.036 0.483 0.681 0.895 0.368 CA 1.279 39 residues pruned to eliminate duplicates Z: 42 24.520 1.969 0.432 0.569 0.951 0.439 CA 1.335 42 residues pruned to eliminate duplicates Z: 38 26.380 2.040 0.578 0.654 0.892 0.541 CA 1.309 38 residues pruned to eliminate duplicates Z: 20 21.105 2.108 0.763 0.827 0.789 0.474 CA 1.243 20 residues pruned to eliminate duplicates Z: 32 22.761 1.947 0.578 0.626 0.903 0.355 CA 1.308 32 residues pruned to eliminate duplicates Z: 27 21.018 2.012 0.523 0.694 1.000 0.462 CA 1.127 27 residues pruned to eliminate duplicates Z: 15 17.052 2.031 0.873 0.698 0.786 0.357 CA 1.272 15 residues pruned to eliminate duplicates Z: 18 22.135 2.157 0.821 0.843 0.765 0.353 CA 1.331 18 residues pruned to eliminate duplicates Z: 37 22.688 2.063 0.577 0.687 0.750 0.417 CA 1.306 37 residues pruned to eliminate duplicates Z: 23 13.604 1.963 0.255 0.523 0.864 0.409 CA 1.333 23 residues pruned to eliminate duplicates Z: 16 12.682 1.928 0.375 0.518 0.933 0.333 CA 1.301 16 residues pruned to eliminate duplicates Z: 36 25.022 2.092 0.578 0.691 0.857 0.429 CA 1.255 36 residues pruned to eliminate duplicates Z: 48 28.597 2.003 0.588 0.638 0.894 0.553 CA 1.289 52 residues pruned to eliminate duplicates Z: 13 16.053 2.003 0.128 0.840 1.000 0.667 CA 1.531 13 residues pruned to eliminate duplicates Z: 17 15.733 2.022 0.314 0.662 0.875 0.438 CB 1.456 15 residues pruned to eliminate duplicates Z: 12 15.856 1.909 0.573 0.834 0.909 0.636 CA 1.313 12 residues pruned to eliminate duplicates Z: 20 13.156 1.974 0.280 0.525 0.842 0.368 CB 1.383 20 residues pruned to eliminate duplicates Z: 17 17.150 2.017 0.405 0.617 1.000 0.375 CA 1.354 18 residues pruned to eliminate duplicates Z: 12 21.054 2.105 0.503 0.832 1.000 0.636 CB 1.506 12 residues pruned to eliminate duplicates Z: 17 18.111 2.021 0.493 0.647 0.938 0.438 CB 1.396 17 residues pruned to eliminate duplicates Z: 18 13.378 1.978 0.362 0.572 0.882 0.412 CB 1.273 18 residues pruned to eliminate duplicates Z: 17 12.626 1.972 0.192 0.602 0.938 0.500 CA 1.299 17 residues pruned to eliminate duplicates Z: 15 16.697 2.134 0.222 0.683 1.000 0.429 CB 1.447 17 residues pruned to eliminate duplicates Z: 12 10.779 2.100 0.170 0.726 0.909 0.545 CB 1.187 12 residues pruned to eliminate duplicates Z: 16 12.157 2.017 0.290 0.635 0.867 0.333 CA 1.226 16 residues pruned to eliminate duplicates Z: 39 24.284 2.045 0.412 0.675 0.895 0.421 CA 1.297 39 residues pruned to eliminate duplicates Z: 46 35.141 2.075 0.620 0.578 0.867 0.600 CA 1.667 46 residues pruned to eliminate duplicates Z: 45 35.861 2.134 0.492 0.603 0.932 0.682 CA 1.651 44 residues pruned to eliminate duplicates Z: 6 8.494 1.989 -0.143 0.854 1.000 1.000 CA 1.647 7 residues pruned to eliminate duplicates Z: 7 9.134 1.898 0.229 0.749 1.000 0.833 CA 1.280 7 residues pruned to eliminate duplicates Z: 17 19.231 2.093 0.586 0.470 0.875 0.500 N 1.706 17 residues pruned to eliminate duplicates Z: 12 12.340 1.966 0.604 0.459 0.727 0.545 CA 1.691 12 residues pruned to eliminate duplicates Z: 22 16.646 1.993 0.562 0.353 0.810 0.381 CA 1.690 22 residues pruned to eliminate duplicates Z: 17 14.480 1.899 0.743 0.389 0.875 0.438 CA 1.407 17 residues pruned to eliminate duplicates Z: 46 37.933 2.117 0.529 0.613 0.933 0.667 CA 1.682 46 residues pruned to eliminate duplicates Z: 6 3.473 1.294 0.788 0.417 0.800 0.600 CA 0.915 6 residues pruned to eliminate duplicates Z: 48 34.780 2.032 0.675 0.602 0.894 0.596 CA 1.514 48 residues pruned to eliminate duplicates Z: 46 35.238 2.081 0.532 0.550 0.933 0.556 CA 1.681 46 residues pruned to eliminate duplicates Z: 57 39.926 2.086 0.538 0.580 0.946 0.607 CA 1.626 57 residues pruned to eliminate duplicates Z: 29 30.550 2.087 0.528 0.685 0.964 0.679 CA 1.585 29 residues pruned to eliminate duplicates Z: 40 32.082 2.034 0.558 0.614 0.923 0.641 CA 1.576 40 residues pruned to eliminate duplicates Z: 51 34.038 2.057 0.512 0.587 0.900 0.640 CA 1.583 51 residues pruned to eliminate duplicates Z: 33 29.064 2.074 0.419 0.689 0.969 0.750 CA 1.516 33 residues pruned to eliminate duplicates Z: 21 15.184 2.075 0.416 0.413 0.900 0.600 CB 1.405 21 residues pruned to eliminate duplicates Z: 47 28.424 1.977 0.538 0.522 0.891 0.609 CA 1.513 47 residues pruned to eliminate duplicates Z: 45 37.255 2.135 0.557 0.600 0.909 0.682 CA 1.689 45 residues pruned to eliminate duplicates Z: 33 30.768 2.131 0.540 0.632 0.938 0.750 CA 1.561 33 residues pruned to eliminate duplicates Z: 50 36.104 2.085 0.533 0.602 0.898 0.612 CA 1.631 50 residues pruned to eliminate duplicates Z: 20 22.517 2.112 0.646 0.552 0.947 0.632 CA 1.490 20 residues pruned to eliminate duplicates Z: 33 35.070 2.155 0.575 0.659 0.969 0.688 CA 1.628 33 residues pruned to eliminate duplicates Z: 43 30.995 2.029 0.570 0.616 0.905 0.619 CA 1.487 43 residues pruned to eliminate duplicates Z: 43 31.739 2.058 0.523 0.586 0.929 0.595 CA 1.550 43 residues pruned to eliminate duplicates Z: 38 36.048 2.095 0.605 0.646 0.946 0.703 CA 1.625 38 residues pruned to eliminate duplicates Z: 44 38.915 2.110 0.735 0.602 0.884 0.581 CA 1.665 44 residues pruned to eliminate duplicates Z: 32 33.270 2.117 0.657 0.732 0.871 0.677 CA 1.588 32 residues pruned to eliminate duplicates Z: 36 35.083 2.018 0.655 0.691 0.971 0.514 CA 1.535 36 residues pruned to eliminate duplicates Z: 40 31.610 2.098 0.546 0.560 0.897 0.564 CA 1.640 40 residues pruned to eliminate duplicates Z: 49 36.664 2.040 0.752 0.572 0.896 0.583 CA 1.543 49 residues pruned to eliminate duplicates Z: 45 29.266 2.015 0.683 0.566 0.818 0.568 CA 1.491 45 residues pruned to eliminate duplicates Z: 23 38.379 2.009 0.786 0.908 1.000 0.545 CA 1.620 31 residues pruned to eliminate duplicates Z: 21 34.105 2.060 0.723 0.868 0.950 0.400 CB 1.653 21 residues pruned to eliminate duplicates Z: 31 28.482 2.139 0.570 0.628 0.833 0.500 CB 1.646 31 residues pruned to eliminate duplicates Z: 44 32.852 2.037 0.601 0.584 0.884 0.465 CA 1.604 44 residues pruned to eliminate duplicates Z: 48 35.760 2.044 0.612 0.597 0.894 0.447 CA 1.616 48 residues pruned to eliminate duplicates Z: 54 41.303 2.090 0.672 0.575 0.925 0.509 CA 1.632 54 residues pruned to eliminate duplicates Z: 49 27.601 1.999 0.518 0.579 0.812 0.417 CB 1.499 49 residues pruned to eliminate duplicates Z: 21 20.925 1.899 0.711 0.617 0.850 0.350 CA 1.516 14 residues pruned to eliminate duplicates Z: 21 24.127 2.022 0.831 0.872 0.700 0.350 CB 1.518 21 residues pruned to eliminate duplicates Z: 40 29.632 2.023 0.490 0.615 0.897 0.410 CB 1.574 38 residues pruned to eliminate duplicates Z: 6 6.302 1.950 0.050 0.426 1.000 0.600 CB 1.487 Z: 7 6.968 1.802 0.588 0.344 1.000 0.333 CA 1.179 3 residues pruned to eliminate duplicates Z: 6 4.215 1.559 1.049 0.336 0.800 0.200 C 0.883 6 residues pruned to eliminate duplicates Z: 16 13.342 2.047 0.583 0.240 0.933 0.400 CB 1.538 26 residues pruned to eliminate duplicates Z: 55 25.399 2.212 0.358 0.356 0.889 0.463 CB 1.512 55 residues pruned to eliminate duplicates Z: 51 25.097 2.212 0.333 0.326 0.900 0.460 CB 1.619 51 residues pruned to eliminate duplicates Z: 16 9.699 2.096 0.276 0.271 0.800 0.267 CB 1.519 16 residues pruned to eliminate duplicates Z: 37 18.158 2.115 0.385 0.344 0.889 0.528 CB 1.378 37 residues pruned to eliminate duplicates Z: 35 16.880 2.164 0.259 0.303 0.882 0.324 CA 1.499 35 residues pruned to eliminate duplicates Z: 55 24.986 2.171 0.340 0.371 0.889 0.463 CB 1.509 55 residues pruned to eliminate duplicates Z: 31 18.827 2.205 0.343 0.309 0.900 0.467 CB 1.594 31 residues pruned to eliminate duplicates Z: 34 18.589 2.159 0.310 0.332 0.909 0.515 CA 1.513 34 residues pruned to eliminate duplicates Z: 28 11.884 2.122 0.247 0.281 0.741 0.370 CB 1.494 28 residues pruned to eliminate duplicates Z: 27 18.941 2.246 0.389 0.331 0.923 0.462 CB 1.553 27 residues pruned to eliminate duplicates Z: 56 26.754 2.185 0.436 0.346 0.909 0.418 CB 1.494 56 residues pruned to eliminate duplicates Z: 58 23.370 2.147 0.354 0.346 0.877 0.474 CB 1.435 58 residues pruned to eliminate duplicates Z: 34 17.048 2.224 0.256 0.287 0.879 0.424 CB 1.536 34 residues pruned to eliminate duplicates Z: 56 24.735 2.197 0.331 0.337 0.909 0.455 CB 1.500 56 residues pruned to eliminate duplicates Z: 41 20.599 2.188 0.326 0.301 0.950 0.425 CB 1.476 41 residues pruned to eliminate duplicates Z: 29 16.140 2.235 0.267 0.275 0.821 0.321 CB 1.691 29 residues pruned to eliminate duplicates Z: 58 23.501 2.146 0.390 0.325 0.860 0.439 CB 1.472 58 residues pruned to eliminate duplicates Z: 56 23.743 2.178 0.333 0.340 0.891 0.473 CB 1.473 56 residues pruned to eliminate duplicates Z: 42 19.813 2.156 0.379 0.299 0.878 0.439 CA 1.483 42 residues pruned to eliminate duplicates Z: 57 24.392 2.171 0.332 0.343 0.857 0.411 CB 1.559 57 residues pruned to eliminate duplicates Z: 45 17.627 2.063 0.166 0.373 0.864 0.455 CB 1.465 45 residues pruned to eliminate duplicates Z: 36 18.052 2.088 0.323 0.382 0.800 0.571 CB 1.564 36 residues pruned to eliminate duplicates Z: 34 15.832 2.049 0.317 0.349 0.879 0.455 CB 1.369 34 residues pruned to eliminate duplicates Z: 20 11.100 2.037 0.328 0.279 0.842 0.368 CA 1.435 20 residues pruned to eliminate duplicates Z: 52 23.943 2.164 0.365 0.333 0.882 0.431 CA 1.546 52 residues pruned to eliminate duplicates Z: 55 22.728 2.209 0.331 0.304 0.833 0.444 CB 1.570 55 residues pruned to eliminate duplicates Z: 42 19.548 2.182 0.322 0.344 0.829 0.439 CB 1.512 42 residues pruned to eliminate duplicates Z: 25 12.050 2.103 0.297 0.346 0.750 0.417 CB 1.421 25 residues pruned to eliminate duplicates Z: 56 24.082 2.189 0.352 0.345 0.855 0.400 CB 1.520 56 residues pruned to eliminate duplicates Z: 52 24.163 2.203 0.379 0.321 0.902 0.392 CB 1.504 52 residues pruned to eliminate duplicates Z: 30 14.900 2.098 0.324 0.327 0.828 0.379 CB 1.455 30 residues pruned to eliminate duplicates Z: 55 22.735 2.210 0.326 0.294 0.852 0.352 CB 1.561 55 residues pruned to eliminate duplicates Z: 30 13.974 2.081 0.177 0.370 0.862 0.414 CB 1.413 30 residues pruned to eliminate duplicates Z: 45 20.481 2.103 0.315 0.358 0.886 0.409 CB 1.468 45 residues pruned to eliminate duplicates Z: 14 7.897 2.038 0.227 0.388 0.615 0.231 N 1.603 14 residues pruned to eliminate duplicates Z: 54 22.429 2.178 0.277 0.328 0.868 0.491 CB 1.542 54 residues pruned to eliminate duplicates Z: 29 17.525 2.134 0.426 0.386 0.857 0.500 CB 1.433 29 residues pruned to eliminate duplicates Z: 20 9.730 1.976 0.338 0.415 0.789 0.368 CB 1.169 20 residues pruned to eliminate duplicates Z: 51 19.127 2.059 0.357 0.286 0.840 0.400 CA 1.466 51 residues pruned to eliminate duplicates Z: 22 11.028 2.030 0.330 0.381 0.762 0.429 CB 1.328 22 residues pruned to eliminate duplicates Z: 28 16.434 2.152 0.295 0.403 0.852 0.333 CB 1.476 28 residues pruned to eliminate duplicates Z: 25 14.341 2.137 0.298 0.354 0.833 0.458 CB 1.484 25 residues pruned to eliminate duplicates Z: 17 7.321 2.018 0.021 0.362 0.812 0.250 CB 1.268 17 residues pruned to eliminate duplicates Z: 16 9.243 2.026 0.288 0.401 0.733 0.467 CB 1.384 16 residues pruned to eliminate duplicates Z: 58 23.428 2.126 0.329 0.335 0.860 0.509 CB 1.531 58 residues pruned to eliminate duplicates Z: 10 7.426 2.058 0.341 0.317 0.778 0.444 CB 1.412 10 residues pruned to eliminate duplicates Z: 16 6.807 1.908 0.381 0.221 0.800 0.333 CB 1.157 16 residues pruned to eliminate duplicates Z: 11 7.481 2.035 0.330 0.302 0.900 0.500 CB 1.211 11 residues pruned to eliminate duplicates Z: 8 3.283 2.083 0.203 0.159 0.571 0.286 CB 1.315 8 residues pruned to eliminate duplicates Z: 74 33.742 2.197 0.314 0.513 0.877 0.575 CB 1.541 88 residues pruned to eliminate duplicates Z: 6 2.995 1.325 0.804 0.311 0.800 0.800 N 0.864 Z: 21 30.257 2.303 0.300 0.831 1.000 0.650 CB 1.698 21 residues pruned to eliminate duplicates Z: 44 38.135 2.201 0.459 0.687 0.953 0.535 CA 1.599 44 residues pruned to eliminate duplicates Z: 37 38.199 2.284 0.537 0.686 0.972 0.444 CB 1.573 37 residues pruned to eliminate duplicates Z: 50 37.975 2.217 0.489 0.668 0.959 0.551 CB 1.466 50 residues pruned to eliminate duplicates Z: 51 36.743 2.250 0.375 0.640 0.940 0.660 CB 1.568 51 residues pruned to eliminate duplicates Z: 30 29.225 2.176 0.448 0.737 0.897 0.621 CB 1.553 30 residues pruned to eliminate duplicates Z: 39 29.892 2.200 0.351 0.610 0.921 0.474 CB 1.595 39 residues pruned to eliminate duplicates Z: 53 33.332 2.234 0.320 0.615 0.942 0.519 CB 1.493 53 residues pruned to eliminate duplicates Z: 30 44.860 2.201 0.792 0.777 1.000 0.483 CA 1.653 30 residues pruned to eliminate duplicates Z: 41 37.109 2.217 0.552 0.622 0.925 0.475 CB 1.643 41 residues pruned to eliminate duplicates Z: 54 35.969 2.239 0.471 0.600 0.925 0.472 CB 1.475 54 residues pruned to eliminate duplicates Z: 49 38.118 2.207 0.473 0.648 0.958 0.500 CB 1.538 49 residues pruned to eliminate duplicates Z: 66 42.451 2.225 0.542 0.615 0.923 0.523 CB 1.491 66 residues pruned to eliminate duplicates Z: 26 23.859 2.174 0.434 0.645 0.880 0.640 CB 1.519 26 residues pruned to eliminate duplicates Z: 39 37.595 2.251 0.522 0.653 0.947 0.447 CB 1.629 39 residues pruned to eliminate duplicates Z: 42 39.701 2.256 0.542 0.712 0.927 0.439 CB 1.586 42 residues pruned to eliminate duplicates Z: 63 40.459 2.206 0.595 0.584 0.919 0.565 CB 1.466 63 residues pruned to eliminate duplicates Z: 54 30.775 2.096 0.491 0.506 0.887 0.491 CB 1.515 54 residues pruned to eliminate duplicates Z: 39 40.191 2.244 0.642 0.645 0.947 0.447 CB 1.631 39 residues pruned to eliminate duplicates Z: 61 39.949 2.221 0.519 0.558 0.933 0.483 CB 1.548 61 residues pruned to eliminate duplicates Z: 74 37.926 2.153 0.562 0.537 0.877 0.438 CB 1.451 74 residues pruned to eliminate duplicates Z: 44 34.028 2.151 0.586 0.577 0.884 0.442 CB 1.598 44 residues pruned to eliminate duplicates Z: 36 35.389 2.263 0.564 0.649 0.886 0.514 CA 1.661 36 residues pruned to eliminate duplicates Z: 48 39.167 2.269 0.499 0.665 0.915 0.574 CB 1.575 48 residues pruned to eliminate duplicates Z: 66 39.937 2.193 0.539 0.566 0.892 0.554 CB 1.543 66 residues pruned to eliminate duplicates Z: 12 15.594 2.247 0.120 0.700 0.909 0.636 CA 1.713 12 residues pruned to eliminate duplicates Z: 48 39.521 2.260 0.514 0.626 0.957 0.553 CB 1.562 48 residues pruned to eliminate duplicates Z: 53 43.204 2.263 0.488 0.645 0.962 0.538 CB 1.617 53 residues pruned to eliminate duplicates Z: 42 30.540 2.213 0.435 0.568 0.927 0.439 CB 1.517 42 residues pruned to eliminate duplicates Z: 40 39.905 2.259 0.557 0.673 0.923 0.513 CB 1.678 40 residues pruned to eliminate duplicates Z: 45 38.317 2.206 0.591 0.667 0.864 0.591 CB 1.633 45 residues pruned to eliminate duplicates Z: 54 38.510 2.205 0.548 0.622 0.887 0.491 CB 1.557 54 residues pruned to eliminate duplicates Z: 35 33.593 2.236 0.482 0.719 0.882 0.382 CB 1.615 35 residues pruned to eliminate duplicates Z: 49 37.602 2.228 0.563 0.668 0.896 0.417 CB 1.489 49 residues pruned to eliminate duplicates Z: 44 35.798 2.222 0.599 0.659 0.907 0.419 CB 1.463 44 residues pruned to eliminate duplicates Z: 52 43.905 2.230 0.590 0.619 0.961 0.392 CB 1.612 52 residues pruned to eliminate duplicates Z: 58 38.867 2.189 0.520 0.624 0.912 0.404 CB 1.509 58 residues pruned to eliminate duplicates Z: 50 31.764 2.208 0.345 0.617 0.898 0.429 CB 1.524 50 residues pruned to eliminate duplicates Z: 52 44.713 2.257 0.496 0.653 0.980 0.471 CB 1.641 52 residues pruned to eliminate duplicates Z: 12 13.689 2.155 0.439 0.481 1.000 0.455 CB 1.356 12 residues pruned to eliminate duplicates Z: 52 40.077 2.227 0.620 0.613 0.922 0.451 CB 1.517 52 residues pruned to eliminate duplicates Z: 53 42.912 2.218 0.535 0.646 0.942 0.538 CB 1.619 53 residues pruned to eliminate duplicates Z: 30 17.245 2.078 0.650 0.370 0.897 0.552 CB 1.198 30 residues pruned to eliminate duplicates Z: 27 19.620 2.193 0.297 0.485 0.962 0.308 CB 1.429 27 residues pruned to eliminate duplicates Z: 50 39.620 2.248 0.553 0.627 0.918 0.429 CB 1.567 50 residues pruned to eliminate duplicates Z: 65 39.054 2.146 0.665 0.577 0.906 0.438 CB 1.400 65 residues pruned to eliminate duplicates Z: 64 44.214 2.238 0.615 0.565 0.952 0.381 CB 1.520 64 residues pruned to eliminate duplicates Z: 27 18.438 2.119 0.618 0.387 0.923 0.500 CB 1.288 27 residues pruned to eliminate duplicates Z: 13 12.642 2.060 0.612 0.405 1.000 0.417 CB 1.214 13 residues pruned to eliminate duplicates Z: 18 10.322 2.085 0.407 0.355 0.824 0.647 CB 1.213 18 residues pruned to eliminate duplicates Z: 24 20.575 2.151 0.664 0.412 0.913 0.565 CB 1.440 24 residues pruned to eliminate duplicates Z: 21 17.362 2.213 0.560 0.378 0.900 0.550 CB 1.423 21 residues pruned to eliminate duplicates Z: 23 16.702 2.156 0.497 0.349 0.909 0.409 CB 1.430 23 residues pruned to eliminate duplicates Z: 18 21.812 2.100 0.552 0.532 0.941 0.412 CA 1.671 18 residues pruned to eliminate duplicates Z: 16 17.059 2.089 0.758 0.477 0.933 0.600 CB 1.315 16 residues pruned to eliminate duplicates Z: 17 16.717 1.962 0.475 0.541 0.938 0.625 CA 1.479 17 residues pruned to eliminate duplicates Z: 18 17.488 2.116 0.505 0.568 0.765 0.412 CA 1.631 18 residues pruned to eliminate duplicates Z: 77 40.457 2.146 0.470 0.564 0.908 0.526 CB 1.523 77 residues pruned to eliminate duplicates Z: 14 18.367 2.101 0.472 0.685 0.923 0.692 CA 1.505 14 residues pruned to eliminate duplicates Z: 18 16.026 1.885 0.605 0.542 0.824 0.588 CA 1.497 18 residues pruned to eliminate duplicates Z: 14 21.948 2.128 0.502 0.692 0.923 0.615 CA 1.730 14 residues pruned to eliminate duplicates Z: 52 26.887 2.079 0.446 0.446 0.902 0.471 CB 1.468 52 residues pruned to eliminate duplicates Z: 14 15.637 1.897 0.542 0.626 0.846 0.385 CA 1.556 14 residues pruned to eliminate duplicates Z: 26 19.142 2.016 0.452 0.517 0.920 0.560 CB 1.398 26 residues pruned to eliminate duplicates Z: 23 18.736 1.931 0.416 0.689 0.909 0.455 CB 1.351 23 residues pruned to eliminate duplicates Z: 19 21.001 2.162 0.508 0.724 0.944 0.444 CB 1.313 19 residues pruned to eliminate duplicates Z: 18 24.854 2.178 0.761 0.723 0.882 0.471 CB 1.456 18 residues pruned to eliminate duplicates Z: 18 20.312 2.168 0.501 0.604 0.882 0.471 CA 1.554 16 residues pruned to eliminate duplicates Z: 20 26.535 2.213 0.512 0.868 0.947 0.474 CB 1.403 20 residues pruned to eliminate duplicates Z: 17 20.660 2.201 0.365 0.644 1.000 0.562 CB 1.502 17 residues pruned to eliminate duplicates Z: 23 33.328 2.078 0.859 0.879 1.000 0.545 CA 1.334 32 residues pruned to eliminate duplicates Z: 15 12.148 2.065 0.104 0.907 0.929 0.929 CB 1.090 15 residues pruned to eliminate duplicates Z: 20 19.789 2.184 0.438 0.754 0.842 0.474 CB 1.368 20 residues pruned to eliminate duplicates Z: 18 24.711 2.066 0.563 0.656 1.000 0.529 CB 1.604 19 residues pruned to eliminate duplicates Z: 20 19.247 2.051 0.431 0.879 0.895 0.474 CB 1.220 20 residues pruned to eliminate duplicates Z: 19 16.082 2.074 0.687 0.657 0.722 0.444 CB 1.298 19 residues pruned to eliminate duplicates Z: 31 21.156 2.030 0.460 0.595 0.833 0.400 CB 1.428 31 residues pruned to eliminate duplicates Z: 26 26.403 2.080 0.742 0.707 0.920 0.520 CB 1.313 26 residues pruned to eliminate duplicates Z: 36 21.449 1.997 0.541 0.509 0.857 0.400 CB 1.362 36 residues pruned to eliminate duplicates Z: 21 14.115 1.954 0.755 0.514 0.750 0.350 CB 1.211 19 residues pruned to eliminate duplicates Z: 20 21.469 2.183 0.756 0.846 0.737 0.316 CA 1.296 20 residues pruned to eliminate duplicates Z: 15 13.441 1.999 0.692 0.618 0.786 0.571 CB 1.208 15 residues pruned to eliminate duplicates Z: 36 21.302 2.003 0.541 0.539 0.829 0.400 CB 1.355 36 residues pruned to eliminate duplicates Z: 28 21.196 2.056 0.613 0.645 0.778 0.333 CB 1.381 28 residues pruned to eliminate duplicates Z: 25 19.233 2.076 0.403 0.708 0.833 0.375 CA 1.340 25 residues pruned to eliminate duplicates Z: 32 12.633 1.939 0.360 0.431 0.677 0.419 CB 1.364 32 residues pruned to eliminate duplicates Z: 30 18.367 2.012 0.574 0.593 0.793 0.276 CB 1.243 30 residues pruned to eliminate duplicates Z: 38 22.000 1.937 0.672 0.514 0.784 0.378 CA 1.405 29 residues pruned to eliminate duplicates Z: 6 4.974 1.559 0.902 0.489 0.600 0.200 C 1.264 6 residues pruned to eliminate duplicates Z: 10 5.438 1.687 0.632 0.245 0.667 0.444 CB 1.326 10 residues pruned to eliminate duplicates Z: 11 4.231 1.748 0.452 0.085 0.700 0.500 CA 1.287 10 residues pruned to eliminate duplicates Z: 6 3.634 1.435 0.368 0.381 1.000 0.800 CB 0.940 7 residues pruned to eliminate duplicates Z: 6 3.324 1.436 0.294 0.378 0.800 0.200 C 1.139 6 residues pruned to eliminate duplicates Z: 7 5.399 1.540 0.919 0.353 0.833 0.167 CB 1.049 7 residues pruned to eliminate duplicates Z: 10 4.919 1.934 0.185 0.185 0.667 0.222 CA 1.566 10 residues pruned to eliminate duplicates Z: 23 10.146 1.930 0.270 0.365 0.727 0.455 CB 1.402 23 residues pruned to eliminate duplicates Z: 24 10.831 1.903 0.396 0.337 0.739 0.304 CB 1.374 24 residues pruned to eliminate duplicates Z: 24 9.222 1.910 0.298 0.348 0.652 0.304 CB 1.402 24 residues pruned to eliminate duplicates Z: 24 11.414 1.881 0.359 0.373 0.826 0.348 CB 1.291 24 residues pruned to eliminate duplicates Z: 24 11.797 1.908 0.418 0.335 0.783 0.304 CB 1.392 24 residues pruned to eliminate duplicates Z: 6 2.480 1.476 0.781 0.329 1.000 0.600 CA 0.509 6 residues pruned to eliminate duplicates Z: 23 11.561 1.889 0.507 0.333 0.818 0.318 CB 1.271 23 residues pruned to eliminate duplicates Z: 8 7.629 1.800 0.708 0.475 0.857 0.429 CA 1.123 8 residues pruned to eliminate duplicates Z: 9 13.599 1.872 0.721 0.666 1.000 0.375 CA 1.280 9 residues pruned to eliminate duplicates Z: 10 8.420 1.795 0.641 0.446 0.889 0.444 CB 1.133 10 residues pruned to eliminate duplicates Z: 25 9.164 1.782 0.338 0.375 0.750 0.417 CA 1.195 25 residues pruned to eliminate duplicates Z: 9 10.973 1.874 0.799 0.521 1.000 0.500 CB 1.126 9 residues pruned to eliminate duplicates Z: 9 5.094 2.046 0.262 0.204 0.625 0.250 CA 1.585 9 residues pruned to eliminate duplicates Z: 24 9.268 1.829 0.328 0.326 0.739 0.478 CB 1.303 24 residues pruned to eliminate duplicates Z: 14 13.104 2.039 0.198 0.489 0.923 0.692 CA 1.631 14 residues pruned to eliminate duplicates Z: 12 4.947 1.851 0.180 0.175 0.727 0.364 N 1.392 12 residues pruned to eliminate duplicates Z: 18 9.440 1.940 0.215 0.330 0.765 0.412 CA 1.530 18 residues pruned to eliminate duplicates Z: 19 10.250 1.879 0.146 0.386 0.833 0.500 CB 1.518 19 residues pruned to eliminate duplicates Z: 20 9.167 1.884 0.201 0.301 0.895 0.526 CB 1.298 21 residues pruned to eliminate duplicates Z: 44 20.551 2.051 0.293 0.381 0.907 0.558 CB 1.479 44 residues pruned to eliminate duplicates Z: 28 14.103 2.015 0.339 0.337 0.889 0.407 CB 1.353 28 residues pruned to eliminate duplicates Z: 43 23.950 2.030 0.413 0.435 0.929 0.548 CB 1.483 43 residues pruned to eliminate duplicates Z: 42 22.957 2.062 0.364 0.436 0.902 0.561 CA 1.510 42 residues pruned to eliminate duplicates Z: 6 6.460 1.585 0.691 0.461 1.000 0.800 CB 1.121 6 residues pruned to eliminate duplicates Z: 26 14.200 1.982 0.428 0.322 0.880 0.440 CB 1.387 26 residues pruned to eliminate duplicates Z: 42 22.618 2.072 0.307 0.436 0.927 0.585 CB 1.504 42 residues pruned to eliminate duplicates Z: 17 9.430 2.045 0.314 0.305 0.812 0.375 CA 1.341 17 residues pruned to eliminate duplicates Z: 42 20.985 2.048 0.237 0.438 0.951 0.561 CB 1.450 42 residues pruned to eliminate duplicates Z: 43 22.519 2.066 0.360 0.421 0.905 0.548 CB 1.484 43 residues pruned to eliminate duplicates Z: 43 22.051 2.034 0.332 0.437 0.929 0.524 CB 1.443 43 residues pruned to eliminate duplicates Z: 21 12.128 2.055 0.222 0.380 0.850 0.550 CB 1.444 21 residues pruned to eliminate duplicates Z: 27 14.716 2.038 0.185 0.387 0.885 0.462 CB 1.523 27 residues pruned to eliminate duplicates Z: 32 13.492 1.941 0.153 0.328 0.903 0.516 CB 1.448 29 residues pruned to eliminate duplicates Z: 6 2.070 1.960 -0.290 0.412 0.800 0.600 CA 0.912 6 residues pruned to eliminate duplicates Z: 38 17.453 2.015 0.260 0.397 0.919 0.486 CB 1.371 38 residues pruned to eliminate duplicates Z: 23 14.665 2.094 0.148 0.475 0.955 0.500 CB 1.397 23 residues pruned to eliminate duplicates Z: 16 8.405 1.921 0.155 0.351 0.867 0.400 CA 1.326 16 residues pruned to eliminate duplicates Z: 32 14.923 1.948 0.283 0.397 0.871 0.387 CB 1.373 32 residues pruned to eliminate duplicates Z: 45 19.339 1.997 0.252 0.387 0.909 0.591 CB 1.447 45 residues pruned to eliminate duplicates Z: 26 15.732 2.062 0.234 0.467 0.880 0.560 CB 1.453 26 residues pruned to eliminate duplicates Z: 23 16.602 2.063 0.188 0.552 0.955 0.682 CA 1.438 23 residues pruned to eliminate duplicates Z: 43 22.721 2.067 0.184 0.480 0.976 0.667 CB 1.498 43 residues pruned to eliminate duplicates Z: 42 19.450 1.974 0.328 0.386 0.927 0.512 CB 1.411 42 residues pruned to eliminate duplicates Z: 43 22.300 2.051 0.305 0.477 0.905 0.548 CB 1.453 43 residues pruned to eliminate duplicates Z: 34 20.324 2.080 0.214 0.506 1.000 0.727 CA 1.393 34 residues pruned to eliminate duplicates Z: 15 12.994 1.997 0.179 0.603 1.000 0.571 CA 1.337 15 residues pruned to eliminate duplicates Z: 42 21.580 2.038 0.236 0.486 0.902 0.683 CB 1.505 42 residues pruned to eliminate duplicates Z: 16 18.365 2.157 0.290 0.674 1.000 0.800 CB 1.451 16 residues pruned to eliminate duplicates Z: 45 17.192 1.946 0.286 0.372 0.864 0.500 CB 1.375 45 residues pruned to eliminate duplicates Z: 13 16.712 2.178 0.240 0.715 1.000 0.917 CA 1.470 13 residues pruned to eliminate duplicates Z: 23 15.494 1.994 0.424 0.442 0.864 0.591 CB 1.430 23 residues pruned to eliminate duplicates Z: 44 21.828 2.039 0.272 0.464 0.930 0.674 CB 1.431 44 residues pruned to eliminate duplicates Z: 13 16.053 2.056 0.599 0.598 0.917 0.667 CA 1.401 13 residues pruned to eliminate duplicates Z: 18 16.253 2.114 0.335 0.489 0.941 0.706 CA 1.500 18 residues pruned to eliminate duplicates Z: 43 21.473 2.035 0.304 0.459 0.929 0.595 CB 1.402 43 residues pruned to eliminate duplicates Z: 37 24.813 2.108 0.309 0.484 0.972 0.611 CA 1.567 37 residues pruned to eliminate duplicates Z: 16 16.189 2.146 0.372 0.626 0.867 0.733 CB 1.455 16 residues pruned to eliminate duplicates Z: 6 4.503 1.562 0.391 0.440 1.000 0.400 CB 0.986 6 residues pruned to eliminate duplicates Z: 15 10.613 1.936 0.474 0.468 0.714 0.429 CA 1.437 15 residues pruned to eliminate duplicates Z: 16 14.959 2.027 0.431 0.492 0.933 0.467 CA 1.438 16 residues pruned to eliminate duplicates Z: 20 14.557 1.927 0.550 0.546 0.789 0.579 CA 1.354 20 residues pruned to eliminate duplicates Z: 16 13.465 2.025 0.380 0.503 0.933 0.533 CA 1.329 16 residues pruned to eliminate duplicates Z: 21 13.869 1.930 0.403 0.498 0.950 0.650 CA 1.209 21 residues pruned to eliminate duplicates Z: 21 16.137 1.939 0.502 0.528 0.900 0.550 CA 1.339 19 residues pruned to eliminate duplicates Z: 12 11.794 1.643 0.661 0.804 1.000 0.636 CA 1.000 12 residues pruned to eliminate duplicates Z: 19 16.048 1.982 0.499 0.576 0.889 0.556 CA 1.331 19 residues pruned to eliminate duplicates Z: 18 13.793 1.967 0.356 0.595 0.882 0.529 CA 1.298 18 residues pruned to eliminate duplicates Z: 20 15.868 1.939 0.545 0.504 0.895 0.526 CA 1.351 20 residues pruned to eliminate duplicates Z: 6 2.739 1.730 0.620 0.283 0.600 0.200 CA 0.931 6 residues pruned to eliminate duplicates Z: 19 14.394 1.973 0.554 0.550 0.944 0.500 CA 1.115 19 residues pruned to eliminate duplicates 530 residues left after pruning, divided into chains as follows: A: 19 B: 6 C: 6 D: 10 E: 8 F: 7 G: 13 H: 11 I: 19 J: 20 K: 55 L: 58 M: 142 N: 36 O: 24 P: 9 Q: 34 R: 8 S: 18 T: 27 CC for partial structure against native data = 17.16 % ------------------------------------------------------------------------------ Global autotracing cycle 25 = 0.300, Contrast = 0.401, Connect. = 0.677 for dens.mod. cycle 1 = 0.300, Contrast = 0.464, Connect. = 0.697 for dens.mod. cycle 2 = 0.300, Contrast = 0.537, Connect. = 0.734 for dens.mod. cycle 3 = 0.300, Contrast = 0.547, Connect. = 0.740 for dens.mod. cycle 4 = 0.300, Contrast = 0.555, Connect. = 0.745 for dens.mod. cycle 5 = 0.300, Contrast = 0.561, Connect. = 0.749 for dens.mod. cycle 6 = 0.300, Contrast = 0.566, Connect. = 0.752 for dens.mod. cycle 7 = 0.300, Contrast = 0.569, Connect. = 0.754 for dens.mod. cycle 8 = 0.300, Contrast = 0.571, Connect. = 0.756 for dens.mod. cycle 9 = 0.300, Contrast = 0.572, Connect. = 0.758 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6961 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1172 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 19.622 1.994 0.542 0.907 0.941 0.647 CB 1.168 B: 21 29.462 2.198 0.355 0.875 0.900 0.750 CB 1.787 C: 17 34.767 2.164 0.792 0.857 0.938 0.562 CA 1.762 16 residues pruned to eliminate duplicates D: 20 24.455 2.118 0.484 0.896 1.000 0.789 CA 1.278 16 residues pruned to eliminate duplicates E: 20 30.557 2.257 0.383 0.833 1.000 0.789 CB 1.686 20 residues pruned to eliminate duplicates F: 15 10.516 1.988 0.393 0.429 0.714 0.500 CA 1.529 G: 11 10.116 1.933 0.214 0.486 0.900 0.500 CA 1.536 H: 12 18.865 2.164 0.510 0.804 0.818 0.545 CB 1.632 14 residues pruned to eliminate duplicates I: 22 7.310 1.854 0.169 0.363 0.714 0.476 CB 1.195 J: 15 30.339 2.277 0.530 0.896 1.000 0.714 CB 1.667 16 residues pruned to eliminate duplicates K: 53 41.581 2.218 0.509 0.661 0.923 0.538 CB 1.607 19 residues pruned to eliminate duplicates L: 22 32.854 2.199 0.496 0.906 0.952 0.667 CB 1.627 22 residues pruned to eliminate duplicates M: 21 18.758 2.060 0.344 0.505 0.950 0.500 CB 1.586 N: 20 29.971 2.299 0.362 0.892 0.947 0.789 CB 1.666 20 residues pruned to eliminate duplicates O: 20 25.391 2.121 0.400 0.874 0.842 0.526 CB 1.696 20 residues pruned to eliminate duplicates P: 15 15.338 2.023 0.305 0.565 1.000 0.786 CB 1.458 Q: 21 13.041 2.168 0.395 0.280 0.850 0.350 CA 1.455 R: 12 12.517 1.912 0.294 0.524 1.000 0.455 CA 1.490 S: 16 31.751 2.241 0.548 0.917 1.000 0.867 CB 1.667 16 residues pruned to eliminate duplicates T: 21 34.410 2.251 0.616 0.869 1.000 0.450 CB 1.545 21 residues pruned to eliminate duplicates U: 12 6.479 1.895 0.068 0.378 0.727 0.364 CB 1.513 V: 20 28.515 2.024 0.551 0.889 1.000 0.842 CB 1.499 W: 25 30.103 2.067 0.512 0.821 0.958 0.583 CB 1.553 25 residues pruned to eliminate duplicates X: 13 16.137 1.951 0.611 0.631 1.000 0.667 CA 1.311 Y: 11 10.237 1.936 0.753 0.521 0.800 0.700 CB 1.167 Z: 12 11.672 2.089 0.082 0.545 1.000 0.636 CB 1.489 Z: 12 31.444 2.383 0.475 0.923 1.000 0.364 CB 1.895 21 residues pruned to eliminate duplicates Z: 19 23.699 2.067 0.504 0.919 1.000 0.778 CB 1.266 20 residues pruned to eliminate duplicates Z: 18 22.339 2.174 0.320 0.910 1.000 0.765 CB 1.339 18 residues pruned to eliminate duplicates Z: 22 28.750 2.131 0.372 0.869 1.000 0.952 CB 1.567 22 residues pruned to eliminate duplicates Z: 49 42.571 2.237 0.660 0.661 0.938 0.500 CB 1.520 42 residues pruned to eliminate duplicates Z: 10 7.015 1.700 0.193 0.466 0.889 0.556 N 1.343 Z: 8 4.977 1.893 -0.101 0.488 0.857 0.429 CA 1.305 8 residues pruned to eliminate duplicates Z: 16 30.619 2.246 0.777 0.904 0.800 0.600 CB 1.764 16 residues pruned to eliminate duplicates Z: 14 25.472 2.171 0.597 0.792 1.000 0.462 CB 1.577 14 residues pruned to eliminate duplicates Z: 22 30.102 2.150 0.368 0.887 1.000 0.810 CB 1.610 22 residues pruned to eliminate duplicates Z: 16 24.963 2.078 0.803 0.565 0.933 0.600 CA 1.731 Z: 21 31.365 2.084 0.586 0.876 0.950 0.700 CB 1.624 20 residues pruned to eliminate duplicates Z: 20 26.641 2.249 0.184 0.885 1.000 0.737 CB 1.656 20 residues pruned to eliminate duplicates Z: 20 28.649 1.843 0.838 0.857 0.947 0.579 CB 1.509 19 residues pruned to eliminate duplicates Z: 14 11.589 2.030 0.214 0.476 0.846 0.538 CA 1.579 12 residues pruned to eliminate duplicates Z: 16 7.725 1.823 0.067 0.427 0.867 0.533 CA 1.277 15 residues pruned to eliminate duplicates Z: 21 25.199 2.013 0.647 0.915 0.950 0.750 CB 1.265 21 residues pruned to eliminate duplicates Z: 53 39.191 2.164 0.655 0.619 0.923 0.538 CB 1.469 53 residues pruned to eliminate duplicates Z: 24 27.434 2.045 0.389 0.819 0.957 0.739 CB 1.596 24 residues pruned to eliminate duplicates Z: 20 17.018 2.057 0.330 0.863 0.947 0.789 CB 1.105 20 residues pruned to eliminate duplicates Z: 13 22.965 2.085 0.613 0.874 0.833 0.667 CB 1.721 13 residues pruned to eliminate duplicates Z: 10 9.600 1.803 0.219 0.810 0.778 0.556 CA 1.429 Z: 9 13.213 2.059 0.624 0.387 1.000 0.500 CA 1.574 Z: 20 21.397 2.113 0.374 0.882 1.000 0.789 CB 1.223 20 residues pruned to eliminate duplicates Z: 11 10.959 2.091 -0.105 0.874 1.000 0.800 CB 1.348 11 residues pruned to eliminate duplicates Z: 6 4.531 1.635 -0.047 0.660 1.000 0.600 CB 1.120 Z: 20 19.693 2.068 0.689 0.643 0.895 0.632 CB 1.265 20 residues pruned to eliminate duplicates Z: 18 11.902 2.034 0.698 0.242 0.941 0.412 CA 1.196 18 residues pruned to eliminate duplicates Z: 10 10.654 2.086 0.279 0.443 1.000 0.444 CA 1.412 9 residues pruned to eliminate duplicates Z: 12 11.183 1.710 0.453 0.786 0.818 0.636 CA 1.289 12 residues pruned to eliminate duplicates Z: 20 13.351 1.930 0.519 0.368 0.789 0.526 CA 1.524 20 residues pruned to eliminate duplicates Z: 21 16.990 2.090 0.388 0.846 0.850 0.450 CB 1.145 21 residues pruned to eliminate duplicates Z: 21 26.940 2.056 0.438 0.863 0.950 0.550 CB 1.574 21 residues pruned to eliminate duplicates Z: 8 7.855 1.821 0.485 0.623 0.857 0.714 N 1.141 Z: 23 22.077 1.941 0.222 0.862 0.955 0.727 CA 1.526 23 residues pruned to eliminate duplicates Z: 6 5.215 1.684 0.060 0.515 1.000 0.600 CB 1.288 Z: 15 19.059 2.127 0.313 0.848 1.000 0.571 CB 1.353 15 residues pruned to eliminate duplicates Z: 14 4.581 1.822 -0.061 0.421 0.769 0.462 CB 1.048 17 residues pruned to eliminate duplicates Z: 10 11.155 1.934 0.124 0.841 0.889 0.444 CA 1.435 11 residues pruned to eliminate duplicates Z: 14 19.603 2.075 0.567 0.779 1.000 0.615 CB 1.306 14 residues pruned to eliminate duplicates Z: 12 16.112 2.208 -0.020 0.883 1.000 0.818 CB 1.624 12 residues pruned to eliminate duplicates Z: 12 12.355 1.961 0.356 0.502 1.000 0.727 CB 1.399 12 residues pruned to eliminate duplicates Z: 29 18.022 2.143 0.329 0.391 0.893 0.607 CA 1.503 18 residues pruned to eliminate duplicates Z: 8 6.698 1.786 0.482 0.451 0.714 0.571 CB 1.408 8 residues pruned to eliminate duplicates Z: 19 24.218 2.090 0.818 0.880 0.889 0.667 CA 1.225 Z: 20 27.307 2.134 0.549 0.919 1.000 0.737 CB 1.336 20 residues pruned to eliminate duplicates Z: 43 20.300 1.940 0.377 0.433 0.905 0.571 CB 1.389 15 residues pruned to eliminate duplicates Z: 50 40.194 2.221 0.550 0.677 0.918 0.673 CB 1.543 50 residues pruned to eliminate duplicates Z: 16 11.356 1.974 0.393 0.425 0.933 0.533 CB 1.235 17 residues pruned to eliminate duplicates Z: 20 17.021 1.974 0.493 0.837 0.842 0.632 CA 1.177 20 residues pruned to eliminate duplicates Z: 11 16.290 2.127 0.123 0.893 1.000 0.800 CA 1.547 11 residues pruned to eliminate duplicates Z: 12 16.789 2.223 0.185 0.858 0.909 0.909 CB 1.557 12 residues pruned to eliminate duplicates Z: 12 12.816 2.031 0.277 0.817 0.727 0.364 CA 1.556 12 residues pruned to eliminate duplicates Z: 7 10.543 1.671 0.849 0.558 1.000 0.667 CA 1.317 Z: 12 11.853 1.688 0.321 0.808 0.909 0.636 CA 1.347 11 residues pruned to eliminate duplicates Z: 12 6.398 1.644 0.352 0.315 0.818 0.545 C 1.301 10 residues pruned to eliminate duplicates Z: 8 4.600 1.905 0.113 0.397 0.714 0.286 CA 1.280 8 residues pruned to eliminate duplicates Z: 21 13.355 1.957 0.275 0.394 0.900 0.500 CB 1.487 21 residues pruned to eliminate duplicates Z: 9 18.811 1.959 0.565 0.880 1.000 0.875 CA 1.571 10 residues pruned to eliminate duplicates Z: 19 25.660 2.090 0.549 0.907 0.944 0.389 CB 1.407 19 residues pruned to eliminate duplicates Z: 7 7.271 1.865 0.162 0.572 1.000 0.500 CB 1.278 Z: 19 23.488 2.147 0.669 0.866 0.889 0.500 CA 1.272 19 residues pruned to eliminate duplicates Z: 8 7.047 1.719 0.070 0.461 1.000 0.286 CA 1.507 Z: 10 15.625 2.024 0.213 0.891 1.000 0.556 CB 1.525 10 residues pruned to eliminate duplicates Z: 17 9.345 1.878 0.205 0.290 0.875 0.375 CB 1.492 15 residues pruned to eliminate duplicates Z: 22 17.707 2.029 0.244 0.530 0.952 0.619 CB 1.560 21 residues pruned to eliminate duplicates Z: 6 6.190 1.737 0.330 0.595 0.800 0.400 O 1.368 6 residues pruned to eliminate duplicates Z: 20 8.609 1.844 0.073 0.384 0.895 0.474 CB 1.263 18 residues pruned to eliminate duplicates Z: 15 10.449 2.133 0.286 0.453 0.714 0.357 CB 1.496 Z: 21 17.025 1.873 0.766 0.884 0.800 0.350 CA 1.039 21 residues pruned to eliminate duplicates Z: 9 12.869 1.913 0.433 0.817 0.875 0.750 CB 1.440 9 residues pruned to eliminate duplicates Z: 19 15.723 1.979 0.495 0.463 0.944 0.556 CB 1.378 14 residues pruned to eliminate duplicates Z: 9 10.822 2.067 0.258 0.730 1.000 0.875 CA 1.196 9 residues pruned to eliminate duplicates Z: 16 4.816 1.630 0.241 0.402 0.733 0.400 CB 0.930 Z: 25 7.930 1.988 0.274 0.232 0.625 0.417 CB 1.398 15 residues pruned to eliminate duplicates Z: 20 15.302 1.972 0.459 0.450 0.895 0.684 CB 1.436 20 residues pruned to eliminate duplicates Z: 14 7.463 1.961 0.238 0.323 0.769 0.615 CB 1.346 14 residues pruned to eliminate duplicates Z: 22 11.146 1.932 0.366 0.408 0.952 0.524 CB 1.066 22 residues pruned to eliminate duplicates Z: 18 16.828 1.950 0.163 0.839 0.882 0.765 CB 1.523 18 residues pruned to eliminate duplicates Z: 22 31.220 2.190 0.452 0.902 0.952 0.667 CB 1.605 22 residues pruned to eliminate duplicates Z: 14 16.234 1.891 0.531 0.780 1.000 0.538 CA 1.215 Z: 10 9.889 1.999 0.118 0.851 1.000 0.667 CB 1.092 10 residues pruned to eliminate duplicates Z: 9 14.268 1.902 0.271 0.878 1.000 0.750 CA 1.514 9 residues pruned to eliminate duplicates Z: 10 9.366 1.624 0.477 0.812 0.667 0.333 CA 1.489 10 residues pruned to eliminate duplicates Z: 49 19.278 1.984 0.462 0.329 0.896 0.479 CA 1.292 44 residues pruned to eliminate duplicates Z: 12 17.084 2.189 0.164 0.833 0.909 0.818 CB 1.668 12 residues pruned to eliminate duplicates Z: 7 3.784 1.589 0.224 0.384 0.833 0.667 CA 1.079 7 residues pruned to eliminate duplicates Z: 16 8.105 1.758 0.360 0.406 0.733 0.400 CB 1.316 13 residues pruned to eliminate duplicates Z: 34 20.726 2.195 0.508 0.325 0.939 0.545 CA 1.407 34 residues pruned to eliminate duplicates Z: 16 10.947 1.891 0.258 0.440 0.867 0.667 CB 1.458 16 residues pruned to eliminate duplicates Z: 6 4.839 1.653 0.103 0.475 1.000 0.800 CA 1.216 Z: 9 16.273 2.026 0.238 0.866 1.000 0.750 CA 1.679 9 residues pruned to eliminate duplicates Z: 11 20.164 2.017 0.809 0.895 0.900 0.700 CB 1.392 11 residues pruned to eliminate duplicates Z: 7 14.418 2.042 0.341 0.868 1.000 0.833 CA 1.571 7 residues pruned to eliminate duplicates Z: 20 36.229 2.333 0.625 0.877 0.947 0.579 CB 1.681 20 residues pruned to eliminate duplicates Z: 9 5.964 1.613 0.549 0.306 0.750 0.500 O 1.395 Z: 20 22.709 2.017 0.336 0.851 1.000 0.684 CA 1.431 20 residues pruned to eliminate duplicates Z: 15 14.169 1.961 0.404 0.870 0.857 0.643 CA 1.172 13 residues pruned to eliminate duplicates Z: 6 6.018 1.931 0.306 0.412 1.000 0.600 CB 1.170 Z: 51 24.361 2.073 0.470 0.320 0.920 0.420 CB 1.499 51 residues pruned to eliminate duplicates Z: 30 22.462 2.019 0.574 0.443 0.897 0.552 CA 1.552 16 residues pruned to eliminate duplicates Z: 20 19.244 2.008 0.611 0.869 0.895 0.474 CA 1.114 20 residues pruned to eliminate duplicates Z: 10 9.427 1.975 0.007 0.864 1.000 0.667 CB 1.158 10 residues pruned to eliminate duplicates Z: 15 17.665 2.008 0.620 0.890 0.929 0.357 CA 1.125 15 residues pruned to eliminate duplicates Z: 17 26.870 2.191 0.472 0.885 0.875 0.562 CB 1.719 17 residues pruned to eliminate duplicates 6 1.305 1.456 -0.394 0.506 1.000 0.400 CB 0.657 ? Z: 11 4.913 1.751 0.408 0.293 0.700 0.700 CB 1.135 Z: 11 8.113 1.933 0.207 0.423 0.800 0.600 N 1.489 10 residues pruned to eliminate duplicates Z: 20 21.741 2.019 0.365 0.836 0.947 0.684 CA 1.430 20 residues pruned to eliminate duplicates Z: 7 6.178 1.681 0.670 0.563 0.833 0.667 CA 1.014 7 residues pruned to eliminate duplicates Z: 10 11.051 1.831 0.068 0.913 0.889 0.556 CB 1.500 9 residues pruned to eliminate duplicates Z: 20 32.015 2.232 0.493 0.896 1.000 0.737 CB 1.579 20 residues pruned to eliminate duplicates Z: 21 14.883 1.798 0.454 0.770 0.900 0.550 CA 1.113 21 residues pruned to eliminate duplicates Z: 9 9.366 1.995 0.570 0.418 0.750 0.500 CA 1.535 9 residues pruned to eliminate duplicates Z: 10 11.438 1.769 0.318 0.847 0.889 0.222 CA 1.365 11 residues pruned to eliminate duplicates Z: 11 6.203 1.704 0.539 0.312 0.700 0.400 C 1.316 11 residues pruned to eliminate duplicates Z: 22 31.531 2.026 0.602 0.884 1.000 0.619 CA 1.532 22 residues pruned to eliminate duplicates Z: 21 24.793 1.906 0.878 0.905 0.850 0.500 CB 1.297 21 residues pruned to eliminate duplicates Z: 13 16.511 2.008 0.208 0.853 0.917 0.667 CB 1.584 13 residues pruned to eliminate duplicates Z: 7 5.431 1.836 -0.015 0.469 1.000 0.500 CB 1.265 7 residues pruned to eliminate duplicates Z: 9 15.117 2.207 0.208 0.620 1.000 0.625 CB 1.790 9 residues pruned to eliminate duplicates Z: 19 9.837 1.729 0.339 0.458 0.833 0.556 CA 1.254 Z: 37 21.412 1.984 0.372 0.471 0.944 0.583 CB 1.429 42 residues pruned to eliminate duplicates Z: 16 14.848 1.986 0.536 0.417 0.933 0.533 CA 1.468 16 residues pruned to eliminate duplicates Z: 11 11.802 2.061 0.066 0.834 1.000 0.700 CB 1.272 12 residues pruned to eliminate duplicates Z: 9 3.244 1.468 0.330 0.225 0.875 0.375 CB 0.926 Z: 11 13.909 1.998 0.405 0.794 0.900 0.600 CB 1.345 11 residues pruned to eliminate duplicates Z: 10 11.060 1.907 0.633 0.459 0.889 0.667 CA 1.389 10 residues pruned to eliminate duplicates Z: 21 33.394 2.136 0.810 0.933 1.000 0.850 CA 1.347 20 residues pruned to eliminate duplicates Z: 13 15.172 1.970 0.307 0.605 0.917 0.583 N 1.678 13 residues pruned to eliminate duplicates Z: 15 13.854 2.020 0.610 0.846 0.786 0.500 CA 1.076 15 residues pruned to eliminate duplicates Z: 9 2.717 1.543 0.195 0.393 0.750 0.500 CB 0.778 Z: 19 11.578 1.979 0.247 0.592 0.889 0.556 CB 1.139 18 residues pruned to eliminate duplicates Z: 14 7.436 1.676 0.724 0.336 0.769 0.538 CA 1.110 14 residues pruned to eliminate duplicates Z: 15 11.650 2.052 0.354 0.428 0.929 0.786 CA 1.301 18 residues pruned to eliminate duplicates Z: 38 22.374 2.180 0.465 0.381 0.865 0.459 CA 1.511 38 residues pruned to eliminate duplicates Z: 10 2.869 1.615 -0.054 0.482 0.889 0.333 N 0.717 Z: 12 14.118 1.901 0.756 0.470 0.909 0.636 CA 1.447 18 residues pruned to eliminate duplicates Z: 41 24.508 1.943 0.667 0.448 0.850 0.600 CA 1.485 41 residues pruned to eliminate duplicates Z: 18 22.408 2.023 0.590 0.893 1.000 0.882 CA 1.213 18 residues pruned to eliminate duplicates Z: 13 15.132 2.001 0.110 0.884 1.000 0.833 CB 1.421 13 residues pruned to eliminate duplicates Z: 21 29.576 1.985 0.651 0.864 0.900 0.500 CA 1.644 21 residues pruned to eliminate duplicates Z: 8 6.675 1.895 0.419 0.583 0.714 0.571 CB 1.212 9 residues pruned to eliminate duplicates Z: 13 8.370 1.816 0.480 0.301 0.750 0.500 CA 1.497 13 residues pruned to eliminate duplicates Z: 41 30.743 1.963 0.520 0.636 0.975 0.625 CB 1.471 41 residues pruned to eliminate duplicates Z: 11 17.196 1.883 0.666 0.822 1.000 0.700 CB 1.311 11 residues pruned to eliminate duplicates Z: 6 8.135 2.021 0.186 0.638 0.800 0.600 CB 1.667 6 residues pruned to eliminate duplicates Z: 13 6.914 1.570 0.267 0.539 0.833 0.500 CB 1.158 12 residues pruned to eliminate duplicates Z: 7 3.434 1.724 0.314 0.295 1.000 0.667 CB 0.779 6 residues pruned to eliminate duplicates Z: 19 27.173 2.166 0.507 0.885 1.000 0.833 CB 1.417 19 residues pruned to eliminate duplicates Z: 9 9.323 1.822 0.632 0.667 0.750 0.375 N 1.266 Z: 9 3.948 1.460 0.431 0.412 0.750 0.500 N 0.977 Z: 24 10.494 1.970 0.326 0.339 0.696 0.522 CB 1.436 25 residues pruned to eliminate duplicates Z: 35 22.610 2.031 0.543 0.561 0.853 0.647 CA 1.368 35 residues pruned to eliminate duplicates 7 1.505 1.328 -0.294 0.351 0.833 0.333 O 0.924 ? Z: 9 9.723 1.746 0.476 0.812 0.875 0.500 CA 1.161 Z: 56 24.638 2.118 0.415 0.335 0.855 0.455 CB 1.555 58 residues pruned to eliminate duplicates Z: 6 4.964 1.966 0.489 0.486 1.000 0.400 CB 0.769 6 residues pruned to eliminate duplicates Z: 6 6.058 1.942 0.190 0.474 0.800 0.800 CB 1.503 6 residues pruned to eliminate duplicates Z: 55 23.830 2.119 0.368 0.349 0.907 0.426 CB 1.452 55 residues pruned to eliminate duplicates Z: 16 16.235 1.969 0.376 0.583 1.000 0.600 CB 1.428 16 residues pruned to eliminate duplicates Z: 12 8.655 1.709 -0.107 0.801 0.909 0.455 CA 1.446 9 residues pruned to eliminate duplicates Z: 22 16.155 1.993 0.453 0.517 0.952 0.524 CA 1.257 23 residues pruned to eliminate duplicates Z: 9 13.354 2.001 0.879 0.477 1.000 0.625 CA 1.285 9 residues pruned to eliminate duplicates Z: 7 2.710 1.841 -0.009 0.294 0.667 0.500 CB 1.146 7 residues pruned to eliminate duplicates Z: 7 6.806 1.692 0.385 0.526 1.000 0.333 CB 1.155 Z: 34 20.067 2.041 0.419 0.555 0.818 0.636 CB 1.397 34 residues pruned to eliminate duplicates Z: 6 3.072 1.606 -0.040 0.424 0.800 0.400 C 1.206 Z: 15 26.047 2.130 0.387 0.896 1.000 0.857 CB 1.687 15 residues pruned to eliminate duplicates Z: 10 5.067 1.698 0.311 0.554 0.667 0.444 CA 1.080 9 residues pruned to eliminate duplicates Z: 11 11.110 1.852 0.317 0.642 0.900 0.800 CA 1.401 22 residues pruned to eliminate duplicates Z: 21 26.368 2.082 0.790 0.856 0.900 0.450 CB 1.297 32 residues pruned to eliminate duplicates Z: 12 15.276 1.854 0.501 0.596 1.000 0.636 CA 1.511 10 residues pruned to eliminate duplicates 9 1.735 1.357 0.550 0.221 0.625 0.375 CB 0.648 ? Z: 12 16.249 1.762 0.668 0.844 0.909 0.727 CA 1.365 13 residues pruned to eliminate duplicates Z: 39 16.856 1.947 0.288 0.417 0.921 0.500 CB 1.291 39 residues pruned to eliminate duplicates Z: 24 17.171 2.219 0.436 0.335 0.870 0.478 CB 1.548 24 residues pruned to eliminate duplicates Z: 9 10.068 1.828 0.460 0.663 0.875 0.625 CB 1.310 9 residues pruned to eliminate duplicates Z: 9 6.394 1.807 0.356 0.381 0.750 0.375 CA 1.396 9 residues pruned to eliminate duplicates Z: 11 12.119 1.976 0.531 0.515 0.800 0.700 CA 1.560 13 residues pruned to eliminate duplicates Z: 10 3.001 1.692 0.466 0.417 0.667 0.444 CB 0.660 10 residues pruned to eliminate duplicates Z: 24 16.651 2.076 0.351 0.407 0.913 0.565 CB 1.494 24 residues pruned to eliminate duplicates Z: 12 16.056 1.977 0.211 0.896 1.000 0.727 CA 1.448 12 residues pruned to eliminate duplicates Z: 22 16.744 2.201 0.317 0.569 0.857 0.524 CB 1.375 22 residues pruned to eliminate duplicates Z: 24 9.929 1.991 0.145 0.347 0.826 0.304 CB 1.297 24 residues pruned to eliminate duplicates Z: 7 3.396 1.459 0.684 0.257 0.833 0.500 CB 0.894 7 residues pruned to eliminate duplicates Z: 14 10.361 1.884 0.393 0.501 0.769 0.615 CB 1.422 14 residues pruned to eliminate duplicates Z: 23 10.844 1.832 0.154 0.423 0.955 0.500 CB 1.242 45 residues pruned to eliminate duplicates Z: 10 9.983 1.707 0.614 0.799 1.000 0.667 CA 0.930 10 residues pruned to eliminate duplicates Z: 24 13.833 2.053 0.274 0.356 0.870 0.522 CA 1.481 24 residues pruned to eliminate duplicates Z: 14 10.429 1.921 0.316 0.540 0.846 0.615 CA 1.300 14 residues pruned to eliminate duplicates Z: 16 16.336 2.035 0.084 0.792 0.933 0.600 CB 1.586 16 residues pruned to eliminate duplicates Z: 7 2.969 1.538 0.247 0.581 1.000 0.667 CB 0.585 6 1.645 1.464 -0.054 0.432 0.800 0.600 CB 0.713 ? Z: 7 2.897 1.627 0.162 0.300 0.667 0.500 CB 1.173 Z: 12 9.042 1.966 0.346 0.454 0.818 0.273 CB 1.320 11 residues pruned to eliminate duplicates Z: 22 24.597 2.012 0.251 0.882 1.000 0.857 CA 1.543 22 residues pruned to eliminate duplicates Z: 17 14.313 2.067 0.316 0.588 0.812 0.625 CB 1.487 17 residues pruned to eliminate duplicates Z: 6 2.764 1.394 0.199 0.517 0.800 0.600 N 0.909 Z: 6 5.948 1.583 0.265 0.762 1.000 1.000 CB 1.052 Z: 40 34.804 2.249 0.321 0.696 1.000 0.718 CB 1.568 40 residues pruned to eliminate duplicates Z: 11 11.712 1.984 0.365 0.452 1.000 0.600 N 1.437 11 residues pruned to eliminate duplicates Z: 15 16.086 1.888 0.725 0.684 0.857 0.643 CA 1.301 18 residues pruned to eliminate duplicates Z: 13 15.401 2.024 0.205 0.715 0.917 0.417 CA 1.637 13 residues pruned to eliminate duplicates Z: 8 10.623 1.741 0.561 0.526 1.000 0.429 CA 1.440 8 residues pruned to eliminate duplicates Z: 6 2.767 1.169 0.542 0.763 0.600 0.600 CA 0.906 Z: 11 11.578 1.716 0.954 0.714 0.900 0.400 CA 0.999 11 residues pruned to eliminate duplicates 6 1.201 1.793 -0.077 0.297 0.800 0.400 CB 0.509 ? Z: 8 3.636 1.797 0.264 0.337 0.571 0.571 CB 1.264 Z: 13 9.871 1.878 0.347 0.503 0.750 0.250 CA 1.498 13 residues pruned to eliminate duplicates Z: 34 16.624 1.927 0.304 0.398 0.909 0.667 CB 1.411 34 residues pruned to eliminate duplicates 7 1.770 1.309 0.421 0.272 0.500 0.500 C 1.005 ? Z: 8 11.486 1.700 0.977 0.810 1.000 0.429 CA 0.986 8 residues pruned to eliminate duplicates Z: 13 5.887 1.845 0.531 0.266 0.750 0.417 CB 1.048 13 residues pruned to eliminate duplicates Z: 10 6.568 1.697 0.360 0.557 0.778 0.444 CA 1.154 9 residues pruned to eliminate duplicates Z: 10 7.330 1.900 0.337 0.445 0.667 0.444 CA 1.526 10 residues pruned to eliminate duplicates Z: 11 15.361 2.100 0.373 0.804 0.900 0.600 CB 1.435 11 residues pruned to eliminate duplicates 6 0.740 1.575 -0.342 0.521 0.800 0.400 CB 0.391 ? Z: 6 4.009 1.635 0.648 0.295 1.000 0.800 CB 0.837 Z: 39 30.668 2.019 0.701 0.637 0.947 0.711 CA 1.345 40 residues pruned to eliminate duplicates 7 1.693 1.351 0.359 0.238 0.667 0.333 CB 0.765 ? Z: 9 9.227 1.887 0.268 0.463 0.875 0.750 O 1.618 9 residues pruned to eliminate duplicates Z: 14 12.023 1.929 0.317 0.514 0.846 0.462 CA 1.530 13 residues pruned to eliminate duplicates Z: 8 4.523 1.572 0.488 0.536 0.857 0.714 CA 0.823 8 residues pruned to eliminate duplicates Z: 11 7.664 1.821 0.073 0.448 0.900 0.600 CB 1.454 Z: 14 10.619 1.894 0.275 0.440 0.923 0.385 CA 1.405 15 residues pruned to eliminate duplicates Z: 8 6.074 1.579 0.358 0.388 1.000 0.286 O 1.207 Z: 26 24.451 2.142 0.431 0.642 0.960 0.640 CA 1.455 26 residues pruned to eliminate duplicates Z: 7 5.893 1.729 0.519 0.672 0.833 0.833 CA 0.938 Z: 6 6.414 1.847 0.692 0.547 0.800 0.400 N 1.096 6 residues pruned to eliminate duplicates Z: 9 11.804 2.000 0.363 0.691 0.875 0.875 CA 1.469 9 residues pruned to eliminate duplicates Z: 13 9.065 2.101 0.072 0.864 0.833 0.583 CB 1.022 13 residues pruned to eliminate duplicates Z: 13 6.041 1.614 0.084 0.429 1.000 0.750 N 1.073 6 1.258 1.274 0.127 0.315 0.600 0.200 CB 0.801 ? Z: 24 11.494 1.827 0.409 0.406 0.826 0.565 CA 1.243 24 residues pruned to eliminate duplicates Z: 11 7.645 1.822 0.315 0.576 0.900 0.600 CB 1.042 11 residues pruned to eliminate duplicates Z: 10 6.078 1.931 0.204 0.434 0.667 0.556 CA 1.400 10 residues pruned to eliminate duplicates Z: 28 23.125 1.944 0.362 0.704 1.000 0.852 CA 1.396 28 residues pruned to eliminate duplicates Z: 14 20.681 2.047 0.964 0.850 1.000 0.615 CA 1.057 14 residues pruned to eliminate duplicates Z: 28 16.916 2.054 0.460 0.405 0.852 0.481 CB 1.409 28 residues pruned to eliminate duplicates Z: 9 11.069 2.098 -0.009 0.885 0.875 0.625 CB 1.554 9 residues pruned to eliminate duplicates Z: 21 13.453 2.009 0.464 0.324 0.900 0.500 CA 1.379 21 residues pruned to eliminate duplicates Z: 6 2.981 1.503 0.004 0.441 0.800 0.400 O 1.174 Z: 20 14.931 1.955 0.215 0.544 1.000 0.474 CB 1.380 20 residues pruned to eliminate duplicates Z: 15 9.191 1.810 0.266 0.444 0.857 0.500 CB 1.324 15 residues pruned to eliminate duplicates Z: 21 13.109 2.176 0.373 0.276 0.900 0.400 CA 1.405 21 residues pruned to eliminate duplicates Z: 16 21.395 2.121 0.453 0.889 1.000 0.800 CB 1.290 16 residues pruned to eliminate duplicates Z: 6 2.041 1.606 -0.016 0.131 1.000 0.200 CB 0.916 Z: 21 32.699 1.924 0.710 0.900 1.000 0.550 CB 1.587 21 residues pruned to eliminate duplicates Z: 11 5.171 1.624 0.538 0.206 0.800 0.400 CA 1.160 11 residues pruned to eliminate duplicates Z: 11 12.267 2.041 0.304 0.487 0.900 0.500 CB 1.640 11 residues pruned to eliminate duplicates Z: 19 19.066 1.948 0.748 0.825 0.944 0.556 CA 1.055 19 residues pruned to eliminate duplicates Z: 9 4.950 1.535 0.247 0.442 0.875 0.500 CA 1.110 9 residues pruned to eliminate duplicates Z: 6 4.769 1.635 0.041 0.797 1.000 0.800 CB 0.966 Z: 8 5.277 1.178 0.373 0.764 1.000 0.714 N 0.975 Z: 8 6.269 1.637 0.226 0.527 1.000 0.571 CB 1.150 Z: 7 2.780 1.606 0.082 0.248 0.667 0.333 O 1.310 Z: 15 9.681 1.804 0.437 0.389 0.786 0.571 N 1.430 15 residues pruned to eliminate duplicates Z: 18 34.240 2.133 1.157 0.894 1.000 0.412 CB 1.294 19 residues pruned to eliminate duplicates Z: 11 7.174 1.535 0.200 0.571 1.000 0.700 CA 1.150 Z: 19 19.265 1.933 0.623 0.828 0.889 0.556 CA 1.226 19 residues pruned to eliminate duplicates Z: 9 3.729 1.620 0.210 0.441 1.000 0.750 CB 0.715 Z: 27 12.478 1.833 0.552 0.303 0.769 0.462 CB 1.392 27 residues pruned to eliminate duplicates Z: 12 5.241 1.697 0.324 0.359 0.636 0.273 C 1.287 12 residues pruned to eliminate duplicates Z: 11 7.737 1.823 0.340 0.404 1.000 0.600 CB 1.108 11 residues pruned to eliminate duplicates Z: 8 3.218 1.614 0.011 0.429 0.714 0.429 CA 1.123 8 residues pruned to eliminate duplicates Z: 9 2.851 1.475 0.137 0.339 0.750 0.625 CB 0.956 9 residues pruned to eliminate duplicates Z: 6 4.871 1.391 0.759 0.579 0.800 0.600 N 1.031 Z: 26 9.344 1.687 0.392 0.412 0.800 0.480 CB 1.091 26 residues pruned to eliminate duplicates Z: 46 28.742 2.135 0.404 0.593 0.911 0.556 CB 1.436 46 residues pruned to eliminate duplicates 6 1.227 1.524 0.479 0.392 0.600 0.400 CB 0.455 ? Z: 7 3.873 1.604 0.794 0.501 0.833 0.667 CB 0.659 Z: 8 2.220 1.413 -0.117 0.330 1.000 0.857 CB 0.810 Z: 10 6.486 1.787 0.220 0.597 0.889 0.556 CB 1.017 10 residues pruned to eliminate duplicates Z: 18 20.772 2.047 0.439 0.654 0.941 0.471 CA 1.576 18 residues pruned to eliminate duplicates Z: 6 2.220 1.455 -0.197 0.295 1.000 0.400 CB 1.070 Z: 8 8.806 2.044 0.451 0.536 1.000 0.857 CA 1.083 8 residues pruned to eliminate duplicates Z: 55 32.873 2.194 0.198 0.607 0.963 0.611 CB 1.597 55 residues pruned to eliminate duplicates Z: 11 14.464 2.164 0.286 0.850 0.800 0.400 CB 1.521 11 residues pruned to eliminate duplicates Z: 14 10.574 2.100 0.372 0.678 0.846 0.385 CA 1.021 14 residues pruned to eliminate duplicates Z: 13 10.005 1.996 0.029 0.613 1.000 0.500 CB 1.263 13 residues pruned to eliminate duplicates Z: 15 5.474 1.476 0.409 0.306 0.714 0.357 CA 1.222 Z: 9 3.161 1.581 -0.068 0.242 0.750 0.375 CB 1.362 6 0.775 1.189 0.257 0.366 0.600 0.400 CB 0.446 ? Z: 10 7.680 1.733 0.205 0.835 0.778 0.667 CA 1.180 10 residues pruned to eliminate duplicates Z: 6 5.279 1.581 0.813 0.725 1.000 0.400 CB 0.672 6 residues pruned to eliminate duplicates Z: 6 6.081 1.559 0.513 0.587 1.000 0.400 CB 1.061 Z: 11 12.585 1.777 0.679 0.748 1.000 0.700 CB 1.068 11 residues pruned to eliminate duplicates Z: 6 5.129 1.612 0.284 0.816 0.800 0.600 CB 1.052 6 residues pruned to eliminate duplicates Z: 9 2.589 1.300 0.330 0.452 0.875 0.625 CB 0.636 Z: 10 8.392 1.991 0.271 0.449 0.889 0.667 CB 1.311 10 residues pruned to eliminate duplicates Z: 12 8.170 1.881 -0.035 0.543 1.000 0.727 CB 1.301 10 residues pruned to eliminate duplicates Z: 10 8.958 1.763 0.819 0.494 0.889 0.667 CA 1.054 11 residues pruned to eliminate duplicates Z: 18 15.306 2.022 0.521 0.524 0.941 0.706 CB 1.253 18 residues pruned to eliminate duplicates 6 1.742 1.197 0.264 0.493 0.800 0.600 CA 0.648 ? Z: 6 2.351 1.325 0.554 0.365 0.600 0.600 CB 0.984 Z: 6 3.753 1.672 0.295 0.402 0.800 0.200 N 1.074 6 residues pruned to eliminate duplicates Z: 9 2.989 1.325 0.145 0.285 0.750 0.375 C 1.183 Z: 16 11.008 1.933 0.266 0.423 0.867 0.800 CB 1.452 17 residues pruned to eliminate duplicates Z: 42 17.530 2.018 0.354 0.278 0.902 0.293 CA 1.427 42 residues pruned to eliminate duplicates Z: 19 17.002 2.021 0.420 0.811 0.944 0.833 CA 1.128 19 residues pruned to eliminate duplicates Z: 11 13.337 1.768 0.376 0.782 0.900 0.500 N 1.503 11 residues pruned to eliminate duplicates Z: 6 2.344 1.626 0.271 0.298 0.800 0.600 CB 0.795 6 residues pruned to eliminate duplicates Z: 18 7.011 1.868 0.154 0.319 0.765 0.353 CB 1.260 18 residues pruned to eliminate duplicates Z: 7 3.360 1.464 0.278 0.484 0.667 0.500 CB 1.118 Z: 21 11.247 1.872 0.464 0.364 0.750 0.300 CA 1.416 21 residues pruned to eliminate duplicates Z: 6 4.302 1.256 0.295 0.687 1.000 0.600 CA 0.997 Z: 12 5.576 1.467 0.335 0.456 0.909 0.455 CB 0.987 6 residues pruned to eliminate duplicates Z: 29 26.040 2.086 0.604 0.449 0.929 0.607 CA 1.669 29 residues pruned to eliminate duplicates Z: 12 18.921 2.117 0.309 0.865 1.000 0.727 CB 1.508 12 residues pruned to eliminate duplicates Z: 6 4.071 1.261 0.712 0.631 0.800 0.600 O 0.932 Z: 7 3.111 1.177 0.461 0.737 1.000 0.500 CA 0.597 Z: 8 6.147 1.754 0.016 0.605 1.000 0.857 CA 1.181 6 residues pruned to eliminate duplicates Z: 35 19.486 1.993 0.443 0.501 0.882 0.647 CA 1.316 35 residues pruned to eliminate duplicates Z: 26 11.528 2.014 0.280 0.345 0.880 0.440 CB 1.202 26 residues pruned to eliminate duplicates Z: 19 3.765 1.563 0.323 0.198 0.667 0.500 CB 0.922 18 residues pruned to eliminate duplicates Z: 13 12.035 2.086 0.251 0.819 0.833 0.500 CB 1.211 13 residues pruned to eliminate duplicates Z: 52 39.448 2.238 0.535 0.636 0.902 0.588 CB 1.569 52 residues pruned to eliminate duplicates Z: 10 6.272 1.737 0.317 0.309 0.889 0.556 CB 1.271 Z: 6 5.737 1.449 0.320 0.623 1.000 0.800 C 1.194 Z: 14 14.117 1.974 0.458 0.627 1.000 0.692 CB 1.207 14 residues pruned to eliminate duplicates Z: 8 2.756 1.501 0.364 0.312 0.571 0.286 CA 1.097 6 1.396 1.593 0.146 0.350 0.800 0.600 CB 0.503 ? Z: 15 27.711 2.170 0.581 0.863 0.929 0.643 CB 1.706 15 residues pruned to eliminate duplicates Z: 7 7.462 1.709 0.319 0.646 1.000 0.500 CB 1.179 Z: 7 2.634 1.369 0.172 0.266 0.833 0.667 CB 1.049 Z: 11 3.008 1.497 0.282 0.178 0.700 0.500 CB 1.044 11 residues pruned to eliminate duplicates Z: 10 7.935 1.838 0.320 0.525 0.778 0.556 CA 1.368 10 residues pruned to eliminate duplicates Z: 9 5.226 1.607 -0.035 0.900 1.000 0.875 CB 0.851 9 residues pruned to eliminate duplicates Z: 20 13.648 1.820 0.531 0.422 0.895 0.632 CB 1.362 20 residues pruned to eliminate duplicates Z: 12 2.835 1.119 0.264 0.434 0.909 0.455 N 0.711 Z: 18 14.576 1.978 0.298 0.557 0.941 0.706 CB 1.385 17 residues pruned to eliminate duplicates Z: 10 2.882 1.509 0.551 0.259 0.667 0.556 CB 0.811 10 residues pruned to eliminate duplicates Z: 6 2.124 1.411 0.447 0.391 1.000 0.600 CB 0.522 6 residues pruned to eliminate duplicates Z: 6 4.416 1.785 -0.102 0.604 1.000 0.600 CB 1.115 6 residues pruned to eliminate duplicates Z: 8 2.548 1.465 0.295 0.299 0.571 0.429 CA 1.111 Z: 37 17.585 2.113 0.350 0.295 0.917 0.528 CA 1.411 37 residues pruned to eliminate duplicates Z: 11 3.698 1.678 0.346 0.281 0.500 0.400 CA 1.326 11 residues pruned to eliminate duplicates Z: 7 2.125 1.380 -0.071 0.417 0.833 0.500 CB 0.886 Z: 6 2.271 1.533 -0.067 0.493 0.800 0.800 CB 0.894 Z: 10 2.174 1.316 0.187 0.479 0.889 0.333 CB 0.533 Z: 6 2.901 1.490 0.047 0.411 1.000 0.600 C 0.913 Z: 19 12.112 1.970 0.131 0.556 0.889 0.444 CA 1.364 19 residues pruned to eliminate duplicates Z: 7 4.048 1.636 0.151 0.389 0.833 0.500 CA 1.185 7 residues pruned to eliminate duplicates Z: 7 3.739 1.525 0.582 0.365 0.833 0.500 CB 0.878 Z: 23 25.514 2.178 0.563 0.697 0.909 0.773 CA 1.469 23 residues pruned to eliminate duplicates Z: 16 16.022 2.006 0.664 0.607 0.733 0.467 CB 1.527 16 residues pruned to eliminate duplicates Z: 10 12.199 2.129 0.391 0.732 0.778 0.778 CA 1.433 10 residues pruned to eliminate duplicates Z: 8 2.322 1.474 -0.093 0.170 1.000 0.714 CB 0.980 Z: 9 12.630 2.241 0.059 0.575 1.000 0.500 CA 1.751 9 residues pruned to eliminate duplicates Z: 6 2.061 1.250 0.377 0.407 0.800 0.600 CA 0.738 Z: 6 3.478 1.701 0.408 0.278 0.800 0.400 CB 1.043 Z: 7 3.419 1.305 0.721 0.406 0.667 0.333 CB 1.029 Z: 15 10.601 1.719 0.428 0.620 1.000 0.643 CA 1.031 15 residues pruned to eliminate duplicates Z: 10 3.833 1.498 0.665 0.279 0.667 0.222 CB 0.986 Z: 8 6.171 1.845 -0.048 0.496 1.000 0.571 CB 1.333 Z: 11 9.652 1.854 0.313 0.524 0.900 0.600 CB 1.360 11 residues pruned to eliminate duplicates Z: 6 4.079 1.351 1.150 0.556 1.000 0.600 N 0.595 Z: 11 2.530 1.335 0.426 0.306 0.700 0.400 CB 0.745 Z: 6 2.855 1.540 -0.016 0.380 1.000 0.600 CB 0.957 Z: 10 2.669 1.376 0.111 0.390 0.556 0.333 CA 1.177 Z: 6 4.347 1.276 0.455 0.699 1.000 0.600 CB 0.873 Z: 10 7.462 1.794 0.473 0.393 0.778 0.444 C 1.356 10 residues pruned to eliminate duplicates 6 1.659 1.478 0.309 0.295 0.800 0.600 N 0.603 ? Z: 6 2.881 1.685 0.515 0.457 0.800 0.600 N 0.660 Z: 7 8.211 1.796 0.717 0.623 0.833 0.333 CB 1.162 Z: 7 2.455 1.450 0.452 0.248 0.667 0.333 CB 0.955 Z: 6 2.006 1.382 0.184 0.468 0.600 0.400 C 0.943 Z: 6 2.307 1.193 0.655 0.448 0.600 0.400 CA 0.919 Z: 17 18.102 1.995 0.364 0.629 1.000 0.875 CA 1.472 19 residues pruned to eliminate duplicates Z: 23 12.508 1.824 0.532 0.328 0.818 0.500 CB 1.409 23 residues pruned to eliminate duplicates Z: 7 3.399 1.463 0.157 0.391 0.833 0.333 N 1.104 5 residues pruned to eliminate duplicates Z: 8 2.530 1.712 0.069 0.190 0.714 0.429 CB 1.061 Z: 7 2.746 1.481 -0.126 0.748 0.833 0.833 CB 0.832 Z: 9 4.940 1.729 0.311 0.430 0.750 0.375 CA 1.106 6 residues pruned to eliminate duplicates Z: 7 2.981 1.382 0.485 0.271 0.833 0.333 CB 0.923 Z: 6 2.787 1.456 0.270 0.352 0.800 0.600 CB 0.990 6 residues pruned to eliminate duplicates Z: 8 10.190 1.766 0.677 0.734 0.857 0.857 CA 1.230 8 residues pruned to eliminate duplicates Z: 6 4.006 1.553 0.351 0.359 0.800 0.600 CB 1.243 Z: 6 2.794 1.396 0.299 0.287 0.800 0.400 CB 1.094 Z: 11 2.576 1.664 0.414 0.177 0.500 0.400 CB 1.023 11 residues pruned to eliminate duplicates Z: 6 4.771 1.459 0.619 0.462 1.000 0.800 CB 0.939 Z: 18 8.678 1.777 0.290 0.514 0.882 0.235 CB 1.026 18 residues pruned to eliminate duplicates Z: 47 23.256 2.133 0.410 0.362 0.870 0.500 CA 1.520 47 residues pruned to eliminate duplicates Z: 21 18.194 2.005 0.422 0.513 0.950 0.700 CA 1.482 25 residues pruned to eliminate duplicates Z: 6 2.350 1.574 0.559 0.472 0.800 0.800 CA 0.551 4 residues pruned to eliminate duplicates Z: 10 3.947 1.635 0.337 0.354 0.667 0.444 CB 1.058 Z: 8 4.133 1.722 0.334 0.298 0.857 0.429 CA 0.994 8 residues pruned to eliminate duplicates Z: 45 21.748 2.097 0.455 0.329 0.864 0.386 CA 1.501 45 residues pruned to eliminate duplicates Z: 6 3.852 1.740 0.191 0.457 0.800 0.600 C 1.085 7 1.426 1.225 0.430 0.247 0.833 0.333 CB 0.534 ? Z: 8 5.457 1.681 -0.127 0.629 1.000 0.714 CA 1.245 8 residues pruned to eliminate duplicates Z: 6 2.679 1.397 0.149 0.414 1.000 0.800 CB 0.817 Z: 9 3.994 1.653 0.617 0.303 0.750 0.500 N 0.878 8 1.770 1.383 -0.223 0.331 0.857 0.286 CB 0.874 ? Z: 6 5.390 1.157 1.141 0.614 1.000 0.600 CB 0.874 Z: 7 3.573 1.822 0.433 0.655 0.833 0.500 CB 0.580 Z: 13 11.322 1.879 0.141 0.625 0.917 0.583 CA 1.478 13 residues pruned to eliminate duplicates Z: 13 12.726 1.972 0.603 0.431 0.917 0.583 CB 1.361 13 residues pruned to eliminate duplicates Z: 10 8.415 1.827 0.317 0.430 0.889 0.556 CA 1.410 Z: 8 3.973 1.509 0.666 0.322 0.714 0.571 CA 1.017 8 residues pruned to eliminate duplicates Z: 9 4.119 1.536 -0.009 0.463 1.000 0.625 CB 0.994 6 1.703 1.267 0.732 0.450 0.800 0.600 CB 0.456 ? Z: 15 11.392 2.006 0.262 0.442 0.857 0.643 CA 1.489 15 residues pruned to eliminate duplicates Z: 8 3.110 1.144 0.773 0.383 0.857 0.429 N 0.765 Z: 20 23.734 2.101 0.647 0.882 1.000 0.684 CB 1.139 20 residues pruned to eliminate duplicates Z: 12 4.938 1.420 0.316 0.412 0.818 0.455 CA 1.067 15 residues pruned to eliminate duplicates Z: 36 19.631 2.066 0.511 0.451 0.771 0.429 CB 1.449 55 residues pruned to eliminate duplicates Z: 7 2.665 1.662 0.245 0.175 0.667 0.333 N 1.168 Z: 24 9.845 1.811 0.367 0.393 0.870 0.478 CA 1.068 24 residues pruned to eliminate duplicates Z: 7 2.493 1.394 -0.050 0.320 0.833 0.333 N 1.125 Z: 11 6.463 1.782 0.398 0.355 0.800 0.300 CB 1.199 11 residues pruned to eliminate duplicates Z: 15 12.578 1.985 0.383 0.508 0.929 0.643 CA 1.309 16 residues pruned to eliminate duplicates Z: 7 3.385 1.298 0.484 0.398 1.000 0.667 N 0.800 7 residues pruned to eliminate duplicates Z: 9 3.688 1.570 0.238 0.456 0.750 0.500 CB 0.936 9 residues pruned to eliminate duplicates Z: 9 3.927 1.703 0.274 0.235 1.000 0.500 CA 0.870 9 residues pruned to eliminate duplicates Z: 9 5.311 1.667 0.167 0.416 0.875 0.375 CA 1.204 Z: 15 8.587 1.792 0.436 0.486 0.786 0.429 CB 1.151 15 residues pruned to eliminate duplicates Z: 8 7.678 1.656 0.947 0.601 0.857 0.857 CB 0.953 Z: 43 14.546 1.919 0.376 0.326 0.786 0.405 CB 1.310 43 residues pruned to eliminate duplicates Z: 15 6.049 1.724 0.214 0.305 0.857 0.571 CB 1.119 15 residues pruned to eliminate duplicates 6 1.647 1.302 0.157 0.267 1.000 0.800 C 0.638 ? Using tripeptides from previous cycle as seeds 6 1.295 1.475 -0.134 0.218 0.800 0.200 CA 0.790 ? Z: 6 6.549 1.632 0.541 0.384 1.000 0.400 N 1.318 6 residues pruned to eliminate duplicates Z: 12 12.048 1.959 0.314 0.469 0.909 0.455 CA 1.602 18 residues pruned to eliminate duplicates Z: 6 3.706 1.566 0.578 0.235 0.800 0.400 CB 1.142 6 residues pruned to eliminate duplicates Z: 11 9.998 1.963 0.576 0.387 0.700 0.500 N 1.647 11 residues pruned to eliminate duplicates Z: 7 5.299 1.429 0.540 0.620 0.833 0.500 CA 1.054 Z: 9 4.632 1.741 0.241 0.303 0.875 0.375 CB 1.079 9 residues pruned to eliminate duplicates Z: 11 3.983 1.711 0.217 0.265 0.700 0.300 CB 1.130 11 residues pruned to eliminate duplicates Z: 10 4.518 1.759 0.378 0.210 0.667 0.556 CA 1.314 10 residues pruned to eliminate duplicates Z: 9 3.772 1.727 0.344 0.187 0.750 0.250 CA 1.116 9 residues pruned to eliminate duplicates Z: 13 12.505 2.017 0.320 0.565 0.833 0.667 N 1.528 13 residues pruned to eliminate duplicates Z: 15 10.109 2.004 0.232 0.450 0.786 0.571 CA 1.466 15 residues pruned to eliminate duplicates Z: 13 12.743 2.109 0.323 0.474 0.833 0.667 CA 1.624 13 residues pruned to eliminate duplicates Z: 13 13.557 2.106 0.368 0.495 0.833 0.667 N 1.638 13 residues pruned to eliminate duplicates Z: 6 5.178 1.542 0.969 0.418 1.000 0.800 CA 0.831 6 residues pruned to eliminate duplicates Z: 10 13.085 2.082 0.683 0.363 0.889 0.556 CA 1.622 9 residues pruned to eliminate duplicates Z: 6 4.185 1.415 0.515 0.460 1.000 0.600 CA 0.910 6 residues pruned to eliminate duplicates Z: 9 13.363 2.044 0.794 0.395 0.875 0.625 CA 1.645 9 residues pruned to eliminate duplicates Z: 6 3.305 1.527 0.062 0.678 1.000 0.800 CA 0.774 Z: 9 5.333 1.583 0.703 0.506 0.750 0.250 CA 0.926 6 residues pruned to eliminate duplicates Z: 8 4.549 1.654 0.183 0.547 0.857 0.429 CA 0.980 8 residues pruned to eliminate duplicates Z: 9 5.002 1.557 0.365 0.670 1.000 0.500 CA 0.711 9 residues pruned to eliminate duplicates Z: 7 4.312 1.589 0.079 0.500 0.833 0.667 CA 1.232 7 residues pruned to eliminate duplicates Z: 16 10.102 1.910 0.352 0.332 0.800 0.400 CB 1.518 16 residues pruned to eliminate duplicates Z: 14 9.802 1.800 0.272 0.421 0.846 0.462 CB 1.523 18 residues pruned to eliminate duplicates 6 1.939 1.639 0.887 0.540 0.800 0.200 CB 0.337 ? Z: 9 4.167 1.716 0.716 0.525 0.625 0.500 CB 0.781 7 residues pruned to eliminate duplicates Z: 7 4.064 1.557 0.580 0.499 0.833 0.667 CA 0.810 7 residues pruned to eliminate duplicates Z: 11 4.523 1.711 0.369 0.507 0.900 0.500 CB 0.674 11 residues pruned to eliminate duplicates Z: 6 3.307 1.685 0.666 0.385 0.800 0.400 CB 0.744 6 residues pruned to eliminate duplicates Z: 8 4.040 1.603 0.279 0.561 0.857 0.571 CB 0.819 6 residues pruned to eliminate duplicates Z: 8 5.264 1.605 0.314 0.533 1.000 0.714 CB 0.914 6 residues pruned to eliminate duplicates Z: 6 8.667 1.869 0.678 0.480 1.000 0.600 CA 1.260 6 residues pruned to eliminate duplicates Z: 18 17.334 1.993 0.592 0.471 1.000 0.588 CB 1.365 18 residues pruned to eliminate duplicates Z: 17 18.309 2.048 0.619 0.484 1.000 0.625 CB 1.403 17 residues pruned to eliminate duplicates Z: 19 18.017 2.017 0.532 0.520 0.944 0.722 CB 1.427 19 residues pruned to eliminate duplicates Z: 21 20.280 1.956 0.642 0.809 0.900 0.550 CA 1.199 21 residues pruned to eliminate duplicates Z: 31 23.755 2.040 0.568 0.572 0.933 0.567 CA 1.355 31 residues pruned to eliminate duplicates Z: 36 30.695 2.114 0.601 0.682 0.943 0.629 CA 1.375 36 residues pruned to eliminate duplicates Z: 37 32.139 2.119 0.618 0.664 0.944 0.611 CA 1.420 39 residues pruned to eliminate duplicates Z: 9 12.718 2.025 0.491 0.863 0.875 0.250 CB 1.249 9 residues pruned to eliminate duplicates Z: 29 26.163 2.082 0.834 0.722 0.893 0.643 CA 1.187 29 residues pruned to eliminate duplicates Z: 21 21.208 1.960 0.649 0.895 0.900 0.650 CA 1.169 21 residues pruned to eliminate duplicates Z: 18 21.372 2.152 0.747 0.836 0.824 0.471 CA 1.253 18 residues pruned to eliminate duplicates Z: 34 20.522 1.957 0.568 0.536 0.909 0.455 CA 1.237 34 residues pruned to eliminate duplicates Z: 20 16.662 1.988 0.765 0.605 0.947 0.368 CA 1.041 20 residues pruned to eliminate duplicates Z: 21 24.061 2.107 0.747 0.772 0.850 0.600 CA 1.351 21 residues pruned to eliminate duplicates Z: 34 23.144 2.001 0.451 0.610 0.970 0.424 CA 1.288 31 residues pruned to eliminate duplicates Z: 21 23.415 1.976 0.828 0.914 0.950 0.700 CA 1.079 21 residues pruned to eliminate duplicates Z: 38 31.597 2.086 0.607 0.629 0.973 0.568 CA 1.411 38 residues pruned to eliminate duplicates Z: 20 25.858 2.087 0.697 0.836 1.000 0.579 CA 1.253 20 residues pruned to eliminate duplicates Z: 36 27.096 2.007 0.598 0.616 0.943 0.429 CA 1.356 33 residues pruned to eliminate duplicates Z: 19 19.386 1.943 0.871 0.885 0.889 0.556 CA 1.021 19 residues pruned to eliminate duplicates Z: 27 20.306 2.028 0.726 0.582 0.885 0.385 CA 1.189 27 residues pruned to eliminate duplicates Z: 44 23.002 1.981 0.466 0.525 0.860 0.488 CA 1.370 44 residues pruned to eliminate duplicates Z: 57 26.739 2.003 0.399 0.552 0.893 0.500 CB 1.357 57 residues pruned to eliminate duplicates Z: 49 27.620 2.016 0.532 0.610 0.938 0.562 CA 1.241 49 residues pruned to eliminate duplicates Z: 13 13.510 2.082 0.438 0.684 0.750 0.417 CA 1.467 13 residues pruned to eliminate duplicates Z: 37 25.490 2.033 0.642 0.659 0.889 0.444 CA 1.236 37 residues pruned to eliminate duplicates Z: 22 14.566 1.852 0.313 0.571 0.905 0.429 CA 1.349 24 residues pruned to eliminate duplicates Z: 13 15.617 2.175 0.068 0.808 1.000 0.583 CB 1.484 13 residues pruned to eliminate duplicates Z: 17 12.524 2.025 0.174 0.623 0.938 0.375 CB 1.251 17 residues pruned to eliminate duplicates Z: 17 15.574 2.069 0.250 0.633 0.875 0.500 CB 1.519 18 residues pruned to eliminate duplicates Z: 12 12.113 2.097 0.417 0.681 0.727 0.455 CB 1.431 12 residues pruned to eliminate duplicates Z: 19 14.847 1.922 0.316 0.584 0.944 0.500 CB 1.352 17 residues pruned to eliminate duplicates Z: 11 14.285 1.990 0.566 0.797 1.000 0.600 CB 1.117 11 residues pruned to eliminate duplicates Z: 17 16.727 1.994 0.468 0.651 1.000 0.375 CB 1.241 17 residues pruned to eliminate duplicates Z: 6 9.469 2.202 0.239 0.659 1.000 0.400 CB 1.339 6 residues pruned to eliminate duplicates Z: 21 14.391 1.949 0.349 0.568 0.900 0.500 CB 1.273 21 residues pruned to eliminate duplicates Z: 20 12.463 1.951 0.132 0.570 0.895 0.368 CB 1.352 20 residues pruned to eliminate duplicates Z: 14 14.751 1.950 0.584 0.537 0.769 0.462 CA 1.661 14 residues pruned to eliminate duplicates Z: 12 18.366 2.021 0.679 0.569 0.909 0.727 CA 1.679 12 residues pruned to eliminate duplicates Z: 34 19.463 1.942 0.592 0.385 0.758 0.485 CB 1.634 27 residues pruned to eliminate duplicates Z: 8 10.076 1.808 0.222 0.823 1.000 0.571 CB 1.303 8 residues pruned to eliminate duplicates Z: 16 18.310 2.066 0.872 0.407 0.800 0.467 C 1.685 16 residues pruned to eliminate duplicates Z: 12 19.476 2.031 0.776 0.583 0.909 0.636 CA 1.654 13 residues pruned to eliminate duplicates Z: 6 4.352 1.750 0.566 0.417 0.800 0.400 CA 0.969 6 residues pruned to eliminate duplicates Z: 56 35.258 2.036 0.482 0.552 0.909 0.655 CA 1.647 56 residues pruned to eliminate duplicates Z: 11 9.188 2.008 0.814 0.367 0.600 0.400 CA 1.534 11 residues pruned to eliminate duplicates Z: 48 33.753 2.071 0.549 0.540 0.915 0.553 CA 1.614 48 residues pruned to eliminate duplicates Z: 34 26.602 2.069 0.647 0.400 0.939 0.545 CA 1.608 34 residues pruned to eliminate duplicates Z: 58 34.427 1.967 0.585 0.527 0.912 0.544 CB 1.562 58 residues pruned to eliminate duplicates Z: 35 23.669 1.997 0.538 0.425 0.941 0.500 CA 1.518 35 residues pruned to eliminate duplicates Z: 48 35.127 2.083 0.587 0.590 0.915 0.660 CA 1.554 48 residues pruned to eliminate duplicates Z: 46 30.453 2.044 0.601 0.481 0.889 0.556 CA 1.591 46 residues pruned to eliminate duplicates Z: 25 25.567 2.101 0.677 0.495 0.917 0.542 CA 1.624 25 residues pruned to eliminate duplicates Z: 27 26.271 2.122 0.438 0.698 0.962 0.731 CA 1.466 27 residues pruned to eliminate duplicates Z: 23 17.660 1.993 0.535 0.464 0.909 0.545 CA 1.404 23 residues pruned to eliminate duplicates Z: 22 15.624 2.024 0.430 0.402 0.905 0.571 CA 1.443 22 residues pruned to eliminate duplicates Z: 20 11.054 1.960 0.449 0.394 0.842 0.632 CA 1.185 20 residues pruned to eliminate duplicates Z: 25 20.410 2.112 0.489 0.498 0.917 0.583 CA 1.449 25 residues pruned to eliminate duplicates Z: 21 14.746 2.096 0.450 0.360 0.900 0.650 CA 1.400 21 residues pruned to eliminate duplicates Z: 57 36.383 2.052 0.545 0.572 0.911 0.643 CA 1.572 56 residues pruned to eliminate duplicates Z: 6 4.903 1.715 0.235 0.411 1.000 0.600 CA 1.137 6 residues pruned to eliminate duplicates Z: 59 36.909 2.012 0.611 0.529 0.914 0.552 CA 1.589 59 residues pruned to eliminate duplicates Z: 28 25.741 2.052 0.408 0.718 0.963 0.778 CA 1.461 28 residues pruned to eliminate duplicates Z: 36 29.221 2.051 0.469 0.641 0.943 0.800 CA 1.524 36 residues pruned to eliminate duplicates Z: 16 13.819 2.111 0.424 0.484 0.933 0.800 CA 1.292 16 residues pruned to eliminate duplicates Z: 28 26.754 2.056 0.535 0.683 0.963 0.630 CA 1.431 28 residues pruned to eliminate duplicates Z: 31 28.193 2.104 0.583 0.619 0.933 0.733 CA 1.480 31 residues pruned to eliminate duplicates Z: 30 25.155 2.046 0.387 0.710 0.966 0.828 CA 1.409 30 residues pruned to eliminate duplicates Z: 29 23.159 2.055 0.469 0.616 0.929 0.750 CA 1.399 29 residues pruned to eliminate duplicates Z: 37 26.900 2.026 0.443 0.671 0.917 0.639 CA 1.429 37 residues pruned to eliminate duplicates Z: 40 25.546 1.955 0.538 0.627 0.897 0.538 CB 1.345 40 residues pruned to eliminate duplicates Z: 49 29.032 1.930 0.567 0.553 0.875 0.521 CA 1.504 48 residues pruned to eliminate duplicates Z: 20 26.997 2.052 0.616 0.857 1.000 0.474 CB 1.376 20 residues pruned to eliminate duplicates Z: 47 36.654 2.093 0.600 0.593 0.891 0.565 CB 1.656 47 residues pruned to eliminate duplicates Z: 60 38.179 2.012 0.628 0.542 0.898 0.475 CA 1.622 60 residues pruned to eliminate duplicates Z: 30 35.890 2.099 0.669 0.716 1.000 0.517 CA 1.564 30 residues pruned to eliminate duplicates Z: 12 13.852 1.878 0.885 0.817 0.727 0.182 CB 1.231 12 residues pruned to eliminate duplicates Z: 49 35.164 2.072 0.659 0.559 0.854 0.583 CB 1.632 49 residues pruned to eliminate duplicates Z: 51 36.910 1.994 0.677 0.578 0.900 0.520 CB 1.609 51 residues pruned to eliminate duplicates Z: 31 21.841 1.989 0.424 0.663 0.833 0.500 CB 1.453 31 residues pruned to eliminate duplicates Z: 22 9.209 1.657 0.541 0.307 0.762 0.381 CB 1.280 22 residues pruned to eliminate duplicates Z: 37 31.634 2.011 0.620 0.638 0.861 0.500 CB 1.651 37 residues pruned to eliminate duplicates Z: 14 11.290 1.872 0.699 0.368 0.769 0.231 CA 1.475 14 residues pruned to eliminate duplicates Z: 14 11.733 1.855 0.594 0.408 0.846 0.385 CA 1.431 14 residues pruned to eliminate duplicates Z: 14 11.891 1.830 0.731 0.387 0.846 0.231 C 1.387 14 residues pruned to eliminate duplicates Z: 21 12.606 1.756 0.627 0.345 0.800 0.250 N 1.459 21 residues pruned to eliminate duplicates Z: 28 21.879 1.865 0.672 0.600 0.815 0.296 CB 1.506 28 residues pruned to eliminate duplicates Z: 7 5.359 1.718 -0.075 0.705 1.000 0.500 CA 1.142 7 residues pruned to eliminate duplicates Z: 8 3.231 1.575 0.065 0.495 0.857 0.571 CA 0.854 8 residues pruned to eliminate duplicates Z: 12 7.946 1.883 0.153 0.453 0.909 0.273 CA 1.273 12 residues pruned to eliminate duplicates Z: 36 18.399 2.128 0.215 0.390 0.857 0.429 CA 1.576 40 residues pruned to eliminate duplicates Z: 6 5.164 1.660 0.108 0.758 1.000 0.800 CA 0.998 4 residues pruned to eliminate duplicates Z: 7 7.037 1.601 0.402 0.562 1.000 0.833 CA 1.206 7 residues pruned to eliminate duplicates Z: 59 24.161 2.044 0.452 0.354 0.862 0.483 CB 1.452 59 residues pruned to eliminate duplicates Z: 12 11.154 1.959 0.199 0.554 1.000 0.364 CA 1.358 12 residues pruned to eliminate duplicates Z: 56 25.960 2.110 0.372 0.414 0.873 0.382 CA 1.517 56 residues pruned to eliminate duplicates Z: 47 21.366 2.051 0.317 0.385 0.891 0.500 CB 1.478 47 residues pruned to eliminate duplicates Z: 13 11.127 1.886 0.376 0.471 0.917 0.500 CA 1.391 15 residues pruned to eliminate duplicates Z: 7 7.613 1.638 0.917 0.415 0.833 0.500 CA 1.298 7 residues pruned to eliminate duplicates Z: 53 23.123 2.169 0.374 0.327 0.865 0.385 CB 1.503 53 residues pruned to eliminate duplicates Z: 58 25.454 2.135 0.398 0.344 0.842 0.456 CB 1.589 58 residues pruned to eliminate duplicates Z: 27 17.218 2.168 0.368 0.300 0.962 0.423 CB 1.480 27 residues pruned to eliminate duplicates Z: 23 17.442 2.242 0.374 0.285 1.000 0.364 CB 1.537 23 residues pruned to eliminate duplicates Z: 46 20.960 2.181 0.303 0.328 0.867 0.400 CA 1.532 46 residues pruned to eliminate duplicates Z: 50 22.298 2.123 0.330 0.332 0.898 0.408 CB 1.510 50 residues pruned to eliminate duplicates Z: 39 19.446 2.159 0.350 0.322 0.868 0.474 CB 1.516 39 residues pruned to eliminate duplicates Z: 46 23.345 2.201 0.358 0.306 0.911 0.422 CA 1.586 46 residues pruned to eliminate duplicates Z: 16 14.969 2.185 0.277 0.382 0.933 0.600 CB 1.683 16 residues pruned to eliminate duplicates Z: 54 22.828 2.134 0.348 0.351 0.849 0.434 CB 1.509 54 residues pruned to eliminate duplicates Z: 25 17.109 2.228 0.477 0.293 0.833 0.417 CB 1.606 25 residues pruned to eliminate duplicates Z: 23 17.896 2.259 0.490 0.314 0.864 0.500 CB 1.613 23 residues pruned to eliminate duplicates Z: 24 17.631 2.209 0.477 0.289 0.913 0.478 CA 1.563 24 residues pruned to eliminate duplicates Z: 51 22.503 2.051 0.497 0.327 0.860 0.480 CA 1.457 51 residues pruned to eliminate duplicates Z: 27 14.043 2.172 0.346 0.237 0.846 0.385 CA 1.510 27 residues pruned to eliminate duplicates Z: 28 17.015 2.147 0.391 0.270 0.926 0.259 CB 1.538 28 residues pruned to eliminate duplicates Z: 51 24.156 2.191 0.410 0.308 0.880 0.420 CB 1.555 51 residues pruned to eliminate duplicates Z: 33 15.996 2.147 0.210 0.304 0.875 0.469 CA 1.547 33 residues pruned to eliminate duplicates Z: 31 19.677 2.188 0.371 0.358 0.900 0.567 CA 1.551 31 residues pruned to eliminate duplicates Z: 53 26.486 2.133 0.415 0.369 0.904 0.462 CA 1.550 53 residues pruned to eliminate duplicates Z: 33 16.481 2.117 0.284 0.311 0.875 0.406 CA 1.510 33 residues pruned to eliminate duplicates Z: 17 13.016 2.042 0.504 0.320 0.938 0.500 CB 1.379 17 residues pruned to eliminate duplicates Z: 29 14.346 2.065 0.341 0.321 0.821 0.429 CB 1.452 29 residues pruned to eliminate duplicates Z: 45 22.235 2.184 0.395 0.323 0.864 0.477 CA 1.549 45 residues pruned to eliminate duplicates Z: 13 11.043 2.087 0.520 0.281 0.917 0.333 CB 1.403 13 residues pruned to eliminate duplicates Z: 28 15.687 2.129 0.279 0.349 0.889 0.333 CB 1.469 28 residues pruned to eliminate duplicates Z: 35 15.214 2.029 0.277 0.325 0.794 0.500 CB 1.538 35 residues pruned to eliminate duplicates Z: 48 21.786 2.179 0.292 0.325 0.872 0.489 CA 1.568 48 residues pruned to eliminate duplicates Z: 46 25.071 2.178 0.436 0.339 0.911 0.356 CA 1.564 46 residues pruned to eliminate duplicates Z: 52 22.542 2.159 0.315 0.346 0.882 0.412 CB 1.490 52 residues pruned to eliminate duplicates Z: 44 21.058 2.185 0.300 0.316 0.884 0.302 CB 1.569 44 residues pruned to eliminate duplicates Z: 30 12.470 2.084 0.213 0.299 0.759 0.345 CB 1.510 30 residues pruned to eliminate duplicates Z: 34 16.747 2.061 0.347 0.357 0.818 0.364 CB 1.497 34 residues pruned to eliminate duplicates Z: 53 23.052 2.146 0.365 0.316 0.865 0.385 CA 1.545 53 residues pruned to eliminate duplicates Z: 39 17.186 2.047 0.397 0.326 0.816 0.421 CB 1.445 39 residues pruned to eliminate duplicates Z: 46 20.839 2.107 0.293 0.332 0.867 0.400 CB 1.582 46 residues pruned to eliminate duplicates Z: 16 11.031 2.100 0.417 0.408 0.800 0.267 CB 1.318 16 residues pruned to eliminate duplicates Z: 19 10.276 2.059 0.347 0.429 0.778 0.389 CB 1.209 19 residues pruned to eliminate duplicates Z: 55 19.672 2.112 0.339 0.301 0.833 0.370 CB 1.418 55 residues pruned to eliminate duplicates Z: 18 7.643 1.950 0.214 0.239 0.765 0.294 CB 1.385 18 residues pruned to eliminate duplicates Z: 30 10.297 1.937 0.397 0.302 0.759 0.310 CB 1.162 30 residues pruned to eliminate duplicates Z: 21 8.579 2.078 0.200 0.283 0.650 0.350 CB 1.513 21 residues pruned to eliminate duplicates Z: 9 2.359 1.937 -0.151 0.215 0.750 0.250 CB 0.947 9 residues pruned to eliminate duplicates Z: 56 21.609 2.135 0.353 0.306 0.818 0.491 CB 1.529 56 residues pruned to eliminate duplicates Z: 11 5.832 1.993 0.160 0.235 0.800 0.300 CB 1.356 11 residues pruned to eliminate duplicates Z: 23 11.585 2.005 0.327 0.296 0.773 0.364 CB 1.510 23 residues pruned to eliminate duplicates Z: 9 6.669 2.031 0.522 0.305 0.625 0.250 CB 1.516 9 residues pruned to eliminate duplicates Z: 9 4.392 1.700 0.417 0.249 0.750 0.500 CB 1.148 9 residues pruned to eliminate duplicates Z: 11 3.429 1.983 0.152 0.149 0.700 0.200 CB 1.044 11 residues pruned to eliminate duplicates Z: 31 23.843 2.113 0.484 0.543 0.867 0.500 CA 1.535 31 residues pruned to eliminate duplicates Z: 53 39.572 2.247 0.365 0.656 0.981 0.692 CB 1.580 53 residues pruned to eliminate duplicates Z: 35 24.657 2.048 0.395 0.574 0.882 0.647 CA 1.562 35 residues pruned to eliminate duplicates Z: 26 27.871 2.190 0.489 0.652 0.960 0.560 CA 1.545 26 residues pruned to eliminate duplicates Z: 37 38.235 2.276 0.511 0.678 0.972 0.722 CB 1.618 37 residues pruned to eliminate duplicates Z: 52 41.678 2.237 0.454 0.645 0.961 0.647 CA 1.631 52 residues pruned to eliminate duplicates Z: 43 36.917 2.241 0.314 0.696 0.976 0.571 CB 1.656 43 residues pruned to eliminate duplicates Z: 39 32.469 2.249 0.327 0.652 0.921 0.658 CA 1.664 39 residues pruned to eliminate duplicates Z: 48 39.219 2.255 0.459 0.671 0.936 0.617 CB 1.586 48 residues pruned to eliminate duplicates Z: 43 35.456 2.224 0.409 0.682 0.905 0.643 CB 1.632 43 residues pruned to eliminate duplicates Z: 72 35.241 2.133 0.425 0.561 0.887 0.606 CB 1.462 72 residues pruned to eliminate duplicates Z: 40 35.347 2.201 0.466 0.642 0.949 0.564 CB 1.619 40 residues pruned to eliminate duplicates Z: 30 25.195 2.180 0.545 0.598 0.828 0.483 CA 1.529 30 residues pruned to eliminate duplicates Z: 40 34.027 2.215 0.462 0.635 0.949 0.718 CB 1.562 40 residues pruned to eliminate duplicates Z: 30 38.033 2.212 0.583 0.781 0.966 0.862 CB 1.630 30 residues pruned to eliminate duplicates Z: 32 23.027 2.026 0.441 0.562 0.871 0.452 CA 1.532 32 residues pruned to eliminate duplicates Z: 43 37.984 2.223 0.426 0.698 0.976 0.643 CB 1.581 43 residues pruned to eliminate duplicates Z: 51 43.176 2.263 0.525 0.637 0.980 0.620 CB 1.587 51 residues pruned to eliminate duplicates Z: 25 30.616 2.190 0.779 0.640 0.958 0.500 CA 1.468 25 residues pruned to eliminate duplicates Z: 39 37.181 2.266 0.455 0.655 0.974 0.605 CB 1.627 39 residues pruned to eliminate duplicates Z: 44 36.733 2.235 0.407 0.689 0.953 0.628 CB 1.571 44 residues pruned to eliminate duplicates Z: 41 35.075 2.208 0.465 0.641 0.925 0.625 CB 1.624 41 residues pruned to eliminate duplicates Z: 38 34.329 2.197 0.593 0.648 0.946 0.676 CB 1.485 38 residues pruned to eliminate duplicates Z: 42 38.941 2.264 0.552 0.690 0.951 0.610 CB 1.529 42 residues pruned to eliminate duplicates Z: 51 42.055 2.266 0.589 0.655 0.940 0.480 CB 1.521 51 residues pruned to eliminate duplicates Z: 53 39.166 2.246 0.497 0.607 0.923 0.558 CB 1.580 53 residues pruned to eliminate duplicates Z: 36 41.214 2.280 0.760 0.699 0.914 0.629 CB 1.583 36 residues pruned to eliminate duplicates Z: 63 40.794 2.214 0.554 0.577 0.887 0.516 CB 1.577 63 residues pruned to eliminate duplicates Z: 39 38.233 2.227 0.532 0.679 0.947 0.579 CA 1.628 39 residues pruned to eliminate duplicates Z: 39 37.108 2.228 0.652 0.635 0.895 0.526 CB 1.611 39 residues pruned to eliminate duplicates Z: 44 38.910 2.231 0.580 0.666 0.953 0.558 CB 1.514 44 residues pruned to eliminate duplicates Z: 53 40.374 2.220 0.547 0.637 0.904 0.558 CB 1.587 53 residues pruned to eliminate duplicates Z: 49 42.855 2.230 0.584 0.683 0.979 0.562 CB 1.511 49 residues pruned to eliminate duplicates Z: 49 44.081 2.263 0.618 0.655 0.958 0.562 CB 1.570 49 residues pruned to eliminate duplicates Z: 32 24.709 2.126 0.498 0.570 0.871 0.387 CB 1.494 32 residues pruned to eliminate duplicates Z: 29 20.694 2.127 0.327 0.530 0.929 0.500 CB 1.448 30 residues pruned to eliminate duplicates Z: 49 43.080 2.240 0.622 0.687 0.917 0.583 CB 1.573 49 residues pruned to eliminate duplicates Z: 53 43.207 2.253 0.622 0.628 0.942 0.558 CB 1.542 53 residues pruned to eliminate duplicates Z: 35 42.491 2.305 0.619 0.729 0.971 0.559 CB 1.636 35 residues pruned to eliminate duplicates Z: 43 40.727 2.264 0.581 0.681 0.952 0.595 CB 1.562 43 residues pruned to eliminate duplicates Z: 41 37.508 2.214 0.586 0.692 0.925 0.600 CB 1.533 41 residues pruned to eliminate duplicates Z: 54 42.552 2.235 0.565 0.615 0.981 0.491 CB 1.528 54 residues pruned to eliminate duplicates Z: 47 43.354 2.248 0.540 0.651 1.000 0.587 CB 1.604 47 residues pruned to eliminate duplicates Z: 51 45.363 2.270 0.556 0.650 0.980 0.540 CB 1.611 51 residues pruned to eliminate duplicates Z: 52 41.110 2.256 0.517 0.627 0.961 0.549 CB 1.554 52 residues pruned to eliminate duplicates Z: 51 41.621 2.231 0.689 0.627 0.940 0.540 CB 1.475 51 residues pruned to eliminate duplicates Z: 10 15.209 2.248 0.503 0.387 1.000 0.556 CA 1.692 10 residues pruned to eliminate duplicates Z: 53 45.587 2.255 0.573 0.639 0.942 0.481 CB 1.660 53 residues pruned to eliminate duplicates Z: 53 45.323 2.245 0.616 0.618 0.942 0.519 CB 1.645 53 residues pruned to eliminate duplicates Z: 51 46.173 2.261 0.651 0.635 0.980 0.420 CB 1.573 51 residues pruned to eliminate duplicates Z: 55 42.483 2.217 0.660 0.588 0.963 0.407 CB 1.499 55 residues pruned to eliminate duplicates Z: 13 8.448 2.037 0.515 0.244 0.917 0.667 CA 1.159 13 residues pruned to eliminate duplicates Z: 66 45.126 2.196 0.563 0.568 0.954 0.477 CB 1.601 64 residues pruned to eliminate duplicates Z: 6 3.666 1.439 0.479 0.300 0.800 0.400 C 1.204 6 residues pruned to eliminate duplicates Z: 18 26.667 2.118 0.646 0.684 0.941 0.647 CA 1.664 18 residues pruned to eliminate duplicates Z: 19 18.962 1.960 0.544 0.599 0.833 0.444 CA 1.612 19 residues pruned to eliminate duplicates Z: 18 25.000 2.104 0.654 0.659 0.882 0.588 CA 1.705 18 residues pruned to eliminate duplicates Z: 18 11.338 1.898 0.510 0.401 0.882 0.471 CB 1.207 18 residues pruned to eliminate duplicates Z: 18 21.507 2.113 0.308 0.624 1.000 0.471 CB 1.678 18 residues pruned to eliminate duplicates Z: 18 16.810 1.889 0.636 0.567 0.824 0.412 CB 1.501 18 residues pruned to eliminate duplicates Z: 15 15.889 1.967 0.346 0.700 0.929 0.714 CA 1.440 15 residues pruned to eliminate duplicates Z: 16 15.323 1.912 0.399 0.651 0.867 0.600 CA 1.484 16 residues pruned to eliminate duplicates Z: 18 17.644 1.851 0.635 0.598 0.882 0.353 CB 1.460 18 residues pruned to eliminate duplicates Z: 15 15.304 1.966 0.564 0.611 0.786 0.571 CA 1.524 15 residues pruned to eliminate duplicates Z: 60 44.040 2.131 0.512 0.660 0.949 0.542 CB 1.616 60 residues pruned to eliminate duplicates Z: 10 6.836 1.775 0.137 0.551 0.778 0.333 CA 1.381 10 residues pruned to eliminate duplicates Z: 8 11.290 2.075 0.238 0.732 0.857 0.429 CA 1.573 8 residues pruned to eliminate duplicates Z: 20 23.727 2.177 0.774 0.687 0.842 0.632 CB 1.410 20 residues pruned to eliminate duplicates Z: 20 16.314 2.082 0.445 0.541 0.842 0.526 CA 1.419 15 residues pruned to eliminate duplicates Z: 16 20.407 2.223 0.474 0.741 0.867 0.600 CB 1.495 16 residues pruned to eliminate duplicates Z: 19 18.329 2.111 0.472 0.559 0.944 0.444 CB 1.390 19 residues pruned to eliminate duplicates Z: 20 28.351 2.233 0.619 0.771 1.000 0.579 CB 1.415 22 residues pruned to eliminate duplicates Z: 21 31.444 2.128 0.752 0.893 1.000 0.600 CA 1.354 21 residues pruned to eliminate duplicates Z: 35 24.822 2.101 0.531 0.541 0.912 0.500 CB 1.393 35 residues pruned to eliminate duplicates Z: 24 29.320 2.176 0.620 0.767 0.957 0.609 CB 1.431 24 residues pruned to eliminate duplicates Z: 12 21.253 2.148 0.741 0.886 1.000 0.727 CB 1.237 12 residues pruned to eliminate duplicates Z: 26 25.468 2.111 0.492 0.714 1.000 0.640 CB 1.332 26 residues pruned to eliminate duplicates Z: 17 25.138 2.208 0.674 0.714 0.938 0.562 CB 1.494 17 residues pruned to eliminate duplicates Z: 14 16.484 2.077 0.545 0.784 0.846 0.462 CB 1.311 14 residues pruned to eliminate duplicates Z: 21 22.273 2.188 0.509 0.729 0.900 0.450 CB 1.364 21 residues pruned to eliminate duplicates Z: 35 23.222 2.083 0.544 0.541 0.853 0.618 CB 1.394 35 residues pruned to eliminate duplicates Z: 30 23.883 2.069 0.644 0.618 0.828 0.448 CB 1.408 28 residues pruned to eliminate duplicates Z: 18 29.643 2.163 0.819 0.929 0.941 0.471 CB 1.359 18 residues pruned to eliminate duplicates Z: 36 19.217 2.044 0.426 0.524 0.800 0.371 CB 1.361 36 residues pruned to eliminate duplicates Z: 29 27.295 2.102 0.660 0.675 0.893 0.393 CB 1.409 30 residues pruned to eliminate duplicates Z: 22 34.170 2.151 0.770 0.914 1.000 0.571 CB 1.386 21 residues pruned to eliminate duplicates Z: 18 28.785 2.170 0.875 0.854 0.882 0.471 CB 1.436 18 residues pruned to eliminate duplicates Z: 35 12.749 1.939 0.330 0.350 0.706 0.412 CB 1.414 23 residues pruned to eliminate duplicates Z: 19 31.768 2.213 0.738 0.850 1.000 0.556 CA 1.442 19 residues pruned to eliminate duplicates Z: 27 21.865 2.115 0.568 0.648 0.846 0.385 CB 1.331 27 residues pruned to eliminate duplicates Z: 34 28.699 2.103 0.676 0.576 0.879 0.364 CB 1.500 38 residues pruned to eliminate duplicates Z: 6 3.259 1.451 0.273 0.352 0.800 0.600 O 1.158 Z: 37 24.916 2.060 0.640 0.540 0.833 0.444 CB 1.419 41 residues pruned to eliminate duplicates Z: 6 4.543 1.715 0.227 0.415 1.000 0.400 CB 1.055 6 residues pruned to eliminate duplicates Z: 7 3.326 1.457 0.104 0.474 0.833 0.333 CA 1.040 Z: 6 6.098 1.642 0.778 0.289 1.000 0.400 CB 1.184 5 residues pruned to eliminate duplicates Z: 8 6.483 1.855 0.271 0.299 0.857 0.286 CA 1.518 9 residues pruned to eliminate duplicates Z: 7 3.481 1.863 0.032 0.266 0.667 0.333 CA 1.448 7 residues pruned to eliminate duplicates Z: 20 11.089 1.921 0.320 0.441 0.789 0.526 CB 1.351 18 residues pruned to eliminate duplicates Z: 6 2.505 1.414 -0.104 0.619 0.800 0.400 C 0.988 6 residues pruned to eliminate duplicates Z: 17 9.297 1.816 0.390 0.476 0.812 0.438 CB 1.161 17 residues pruned to eliminate duplicates Z: 25 10.787 1.808 0.431 0.368 0.792 0.375 CB 1.238 25 residues pruned to eliminate duplicates Z: 14 8.163 1.835 0.526 0.497 0.846 0.615 CB 0.959 14 residues pruned to eliminate duplicates Z: 23 8.627 1.722 0.398 0.367 0.727 0.364 CB 1.212 23 residues pruned to eliminate duplicates Z: 24 10.501 1.835 0.265 0.396 0.826 0.348 CB 1.275 24 residues pruned to eliminate duplicates Z: 10 10.514 1.915 0.612 0.453 0.889 0.333 CB 1.340 10 residues pruned to eliminate duplicates Z: 15 8.379 1.732 0.661 0.443 0.857 0.571 CB 0.963 15 residues pruned to eliminate duplicates Z: 22 9.806 1.837 0.389 0.355 0.857 0.429 CB 1.144 28 residues pruned to eliminate duplicates Z: 7 10.763 1.662 0.824 0.706 1.000 0.833 CA 1.201 8 residues pruned to eliminate duplicates Z: 6 4.659 1.839 -0.068 0.437 1.000 0.400 CB 1.297 6 residues pruned to eliminate duplicates Z: 9 4.834 2.014 0.154 0.236 0.750 0.500 CB 1.332 9 residues pruned to eliminate duplicates Z: 15 7.810 1.976 0.096 0.402 0.714 0.500 CA 1.496 15 residues pruned to eliminate duplicates Z: 17 10.227 1.801 0.295 0.452 0.938 0.688 CB 1.228 17 residues pruned to eliminate duplicates Z: 16 9.299 1.893 0.101 0.443 0.867 0.467 CB 1.409 16 residues pruned to eliminate duplicates Z: 13 11.663 2.006 0.178 0.519 0.917 0.833 CA 1.526 13 residues pruned to eliminate duplicates Z: 13 5.493 1.877 0.237 0.331 0.750 0.333 CB 1.095 13 residues pruned to eliminate duplicates Z: 11 2.702 1.801 0.088 0.082 0.700 0.300 CB 1.071 10 residues pruned to eliminate duplicates Z: 6 4.020 1.471 0.361 0.446 0.800 0.200 CB 1.186 Z: 32 15.289 1.880 0.447 0.331 0.871 0.419 CB 1.395 32 residues pruned to eliminate duplicates Z: 25 14.403 1.923 0.413 0.410 0.875 0.583 CB 1.358 29 residues pruned to eliminate duplicates Z: 6 2.885 1.754 0.439 0.281 0.800 0.800 CB 0.818 6 residues pruned to eliminate duplicates Z: 22 16.515 2.054 0.374 0.444 0.905 0.429 CB 1.495 22 residues pruned to eliminate duplicates Z: 42 20.884 1.966 0.361 0.468 0.878 0.561 CB 1.435 42 residues pruned to eliminate duplicates Z: 14 13.707 2.041 0.568 0.447 0.923 0.615 CA 1.359 14 residues pruned to eliminate duplicates Z: 42 23.152 1.982 0.397 0.485 0.902 0.634 CB 1.470 48 residues pruned to eliminate duplicates 6 1.995 1.545 0.559 0.175 0.600 0.200 CA 0.915 ? Z: 8 4.231 1.734 0.532 0.379 0.857 0.571 CB 0.798 8 residues pruned to eliminate duplicates Z: 24 11.963 1.962 0.281 0.390 0.870 0.522 CB 1.283 24 residues pruned to eliminate duplicates Z: 26 13.197 1.971 0.440 0.335 0.800 0.480 CA 1.392 26 residues pruned to eliminate duplicates Z: 27 14.121 2.032 0.206 0.461 0.846 0.538 CB 1.390 27 residues pruned to eliminate duplicates Z: 13 11.515 1.959 0.273 0.441 1.000 0.500 N 1.417 13 residues pruned to eliminate duplicates Z: 36 20.242 2.013 0.286 0.511 0.943 0.543 CA 1.386 36 residues pruned to eliminate duplicates Z: 14 9.329 1.951 0.296 0.472 0.846 0.385 CA 1.244 14 residues pruned to eliminate duplicates Z: 8 8.476 2.108 0.347 0.523 0.857 0.429 CB 1.287 8 residues pruned to eliminate duplicates Z: 32 19.729 1.971 0.542 0.411 0.903 0.645 CB 1.417 32 residues pruned to eliminate duplicates Z: 28 15.594 1.950 0.376 0.409 0.926 0.667 CB 1.329 28 residues pruned to eliminate duplicates Z: 32 12.425 1.878 0.297 0.363 0.839 0.387 CB 1.266 32 residues pruned to eliminate duplicates Z: 42 18.405 1.979 0.252 0.458 0.927 0.585 CB 1.307 42 residues pruned to eliminate duplicates Z: 26 14.785 1.952 0.215 0.451 0.920 0.520 CA 1.425 27 residues pruned to eliminate duplicates Z: 6 3.160 1.549 0.433 0.451 1.000 0.800 CB 0.670 6 residues pruned to eliminate duplicates Z: 11 14.007 2.076 0.333 0.711 1.000 0.800 CA 1.322 10 residues pruned to eliminate duplicates Z: 10 12.637 2.004 0.519 0.651 1.000 0.556 CA 1.202 11 residues pruned to eliminate duplicates Z: 9 9.771 1.815 0.896 0.682 1.000 0.875 CA 0.849 9 residues pruned to eliminate duplicates Z: 14 11.521 1.933 0.418 0.540 0.769 0.615 CA 1.457 14 residues pruned to eliminate duplicates Z: 19 13.254 1.974 0.507 0.515 0.833 0.444 CA 1.241 19 residues pruned to eliminate duplicates Z: 10 10.841 1.753 0.562 0.795 1.000 0.444 CA 1.019 10 residues pruned to eliminate duplicates Z: 19 8.756 1.871 0.206 0.502 0.778 0.556 CA 1.173 19 residues pruned to eliminate duplicates Z: 19 17.250 1.984 0.694 0.556 0.889 0.500 CA 1.288 19 residues pruned to eliminate duplicates Z: 18 16.313 2.032 0.529 0.581 0.941 0.529 CA 1.252 18 residues pruned to eliminate duplicates Z: 13 4.075 1.538 0.162 0.313 0.750 0.417 N 1.080 10 residues pruned to eliminate duplicates Z: 13 5.614 1.659 0.323 0.300 0.833 0.500 N 1.108 13 residues pruned to eliminate duplicates Z: 15 3.592 1.627 0.136 0.296 0.571 0.429 CA 1.142 15 residues pruned to eliminate duplicates Z: 23 16.785 1.946 0.347 0.531 1.000 0.591 CB 1.324 23 residues pruned to eliminate duplicates Z: 8 5.368 1.666 0.434 0.437 0.857 0.429 N 1.057 4 residues pruned to eliminate duplicates Z: 6 5.757 1.622 0.175 0.610 1.000 0.600 CA 1.217 6 residues pruned to eliminate duplicates Z: 23 18.309 2.009 0.310 0.530 1.000 0.591 CB 1.439 23 residues pruned to eliminate duplicates Z: 19 12.937 2.051 0.332 0.422 0.833 0.611 CB 1.453 19 residues pruned to eliminate duplicates Z: 20 19.810 2.120 0.320 0.551 1.000 0.632 CA 1.545 24 residues pruned to eliminate duplicates Z: 6 5.440 1.583 0.718 0.325 1.000 0.600 CA 1.084 6 residues pruned to eliminate duplicates Z: 23 19.714 2.017 0.274 0.566 1.000 0.682 CA 1.534 23 residues pruned to eliminate duplicates Z: 6 5.397 1.719 0.414 0.401 1.000 0.600 CA 1.102 6 residues pruned to eliminate duplicates Z: 21 16.498 2.047 0.425 0.478 0.850 0.650 CB 1.521 21 residues pruned to eliminate duplicates Z: 21 19.041 2.076 0.269 0.568 1.000 0.550 CB 1.514 21 residues pruned to eliminate duplicates Z: 7 4.195 1.442 0.998 0.428 0.833 0.333 CA 0.769 7 residues pruned to eliminate duplicates Z: 24 13.787 1.865 0.352 0.423 0.957 0.565 CB 1.291 24 residues pruned to eliminate duplicates Z: 23 16.859 1.862 0.486 0.425 0.955 0.682 CB 1.471 23 residues pruned to eliminate duplicates Z: 18 19.766 2.162 0.446 0.523 0.941 0.706 CB 1.593 18 residues pruned to eliminate duplicates Z: 20 18.452 1.964 0.351 0.581 1.000 0.684 N 1.477 20 residues pruned to eliminate duplicates 502 residues left after pruning, divided into chains as follows: A: 11 B: 18 C: 8 D: 10 E: 8 F: 12 G: 10 H: 19 I: 13 J: 56 K: 58 L: 140 M: 36 N: 21 O: 31 P: 8 Q: 17 R: 6 S: 20 CC for partial structure against native data = 17.46 % ------------------------------------------------------------------------------ Global autotracing cycle 26 = 0.300, Contrast = 0.417, Connect. = 0.678 for dens.mod. cycle 1 = 0.300, Contrast = 0.481, Connect. = 0.700 for dens.mod. cycle 2 = 0.300, Contrast = 0.550, Connect. = 0.734 for dens.mod. cycle 3 = 0.300, Contrast = 0.556, Connect. = 0.740 for dens.mod. cycle 4 = 0.300, Contrast = 0.563, Connect. = 0.746 for dens.mod. cycle 5 = 0.300, Contrast = 0.567, Connect. = 0.749 for dens.mod. cycle 6 = 0.300, Contrast = 0.571, Connect. = 0.752 for dens.mod. cycle 7 = 0.300, Contrast = 0.573, Connect. = 0.754 for dens.mod. cycle 8 = 0.300, Contrast = 0.574, Connect. = 0.756 for dens.mod. cycle 9 = 0.300, Contrast = 0.575, Connect. = 0.757 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6926 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1170 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 42.768 2.184 0.846 0.889 1.000 0.850 CB 1.708 B: 20 29.369 2.259 0.233 0.893 1.000 0.789 CB 1.737 20 residues pruned to eliminate duplicates C: 22 15.376 2.002 0.216 0.524 0.905 0.667 CB 1.487 D: 20 28.461 2.252 0.420 0.826 0.947 0.579 CB 1.625 20 residues pruned to eliminate duplicates E: 21 35.445 2.214 0.580 0.886 0.950 0.650 CB 1.721 21 residues pruned to eliminate duplicates F: 20 32.516 2.163 0.466 0.890 1.000 0.842 CB 1.692 20 residues pruned to eliminate duplicates G: 22 35.905 2.200 0.615 0.882 1.000 0.571 CB 1.595 20 residues pruned to eliminate duplicates H: 14 17.128 2.119 0.314 0.816 0.923 0.538 CB 1.405 14 residues pruned to eliminate duplicates I: 19 16.923 2.247 0.605 0.340 0.944 0.333 CA 1.395 J: 14 17.163 2.119 0.369 0.867 0.846 0.769 CB 1.419 14 residues pruned to eliminate duplicates K: 7 4.950 1.795 0.394 0.420 0.667 0.667 CB 1.317 7 residues pruned to eliminate duplicates L: 22 27.714 2.112 0.384 0.889 1.000 0.810 CB 1.489 22 residues pruned to eliminate duplicates M: 15 9.850 1.978 0.232 0.425 0.857 0.643 CA 1.362 N: 20 12.351 1.888 0.636 0.358 0.895 0.474 CB 1.195 O: 9 14.020 2.146 0.337 0.617 0.875 0.625 CA 1.767 P: 11 6.208 1.779 0.191 0.392 0.800 0.600 CA 1.299 Q: 10 9.146 1.958 0.286 0.814 0.889 0.556 CB 1.037 R: 9 7.244 1.895 0.458 0.411 0.750 0.375 CA 1.357 7 residues pruned to eliminate duplicates S: 10 13.456 2.007 0.312 0.681 1.000 0.778 CB 1.442 T: 21 28.932 2.221 0.247 0.897 1.000 0.800 CB 1.672 21 residues pruned to eliminate duplicates U: 6 9.878 1.936 0.196 0.862 1.000 0.800 CB 1.402 V: 22 31.311 2.081 0.524 0.884 0.952 0.571 CB 1.635 22 residues pruned to eliminate duplicates W: 21 21.862 2.080 0.349 0.846 1.000 0.650 CB 1.295 10 residues pruned to eliminate duplicates X: 52 45.345 2.261 0.604 0.619 0.941 0.510 CB 1.662 23 residues pruned to eliminate duplicates Y: 22 28.544 2.148 0.522 0.890 0.905 0.571 CB 1.514 22 residues pruned to eliminate duplicates Z: 23 10.748 1.809 0.388 0.340 0.864 0.364 CA 1.258 Z: 19 35.675 2.261 0.782 0.909 0.944 0.611 CB 1.569 19 residues pruned to eliminate duplicates Z: 23 28.825 2.024 0.621 0.844 0.955 0.545 CA 1.460 Z: 23 26.161 2.064 0.227 0.884 1.000 0.773 CB 1.591 23 residues pruned to eliminate duplicates Z: 22 26.038 1.994 0.571 0.831 0.952 0.619 CA 1.431 22 residues pruned to eliminate duplicates Z: 10 8.173 1.867 0.388 0.454 0.778 0.556 C 1.418 Z: 17 31.548 2.318 0.397 0.893 1.000 0.812 CB 1.748 17 residues pruned to eliminate duplicates Z: 15 19.151 2.150 0.457 0.849 0.929 0.643 CB 1.304 15 residues pruned to eliminate duplicates Z: 21 30.688 2.185 0.391 0.889 1.000 0.900 CB 1.626 21 residues pruned to eliminate duplicates Z: 8 8.825 1.993 0.384 0.657 1.000 0.714 CB 1.045 8 residues pruned to eliminate duplicates Z: 12 11.734 2.163 0.429 0.478 0.909 0.545 CB 1.287 2 residues pruned to eliminate duplicates Z: 15 20.970 2.145 0.410 0.900 1.000 0.714 CB 1.323 14 residues pruned to eliminate duplicates Z: 12 8.892 1.651 0.259 0.760 0.909 0.636 CA 1.126 Z: 20 29.826 2.205 0.408 0.889 1.000 0.895 CB 1.586 20 residues pruned to eliminate duplicates Z: 19 35.862 2.252 0.571 0.879 0.944 0.833 CB 1.835 19 residues pruned to eliminate duplicates Z: 21 11.568 1.889 0.244 0.402 0.900 0.500 CB 1.356 Z: 10 5.715 1.823 0.004 0.542 0.889 0.778 CA 1.123 11 residues pruned to eliminate duplicates Z: 18 38.469 2.291 0.634 0.904 0.941 0.412 CB 1.887 18 residues pruned to eliminate duplicates Z: 17 28.694 2.257 0.353 0.865 0.938 0.562 N 1.836 17 residues pruned to eliminate duplicates Z: 15 9.854 1.945 0.129 0.521 0.857 0.643 CB 1.371 15 residues pruned to eliminate duplicates Z: 9 8.025 1.841 0.661 0.420 0.750 0.250 CB 1.344 9 residues pruned to eliminate duplicates Z: 14 20.488 2.068 0.387 0.799 0.846 0.385 CB 1.803 14 residues pruned to eliminate duplicates Z: 13 10.260 2.013 0.171 0.514 0.833 0.833 CA 1.486 13 residues pruned to eliminate duplicates Z: 22 39.767 2.116 0.770 0.902 1.000 0.571 CA 1.653 22 residues pruned to eliminate duplicates Z: 11 3.345 1.527 0.132 0.282 0.800 0.400 CA 0.977 Z: 16 10.213 1.841 0.268 0.544 0.867 0.733 CB 1.248 14 residues pruned to eliminate duplicates Z: 22 21.735 2.035 0.387 0.848 0.952 0.857 CB 1.309 23 residues pruned to eliminate duplicates Z: 28 16.287 2.113 0.340 0.491 0.815 0.556 CB 1.370 28 residues pruned to eliminate duplicates Z: 13 10.392 2.018 0.045 0.504 0.917 0.583 CB 1.546 Z: 15 17.861 2.090 0.382 0.796 0.857 0.357 CA 1.488 15 residues pruned to eliminate duplicates Z: 18 17.426 2.180 0.188 0.897 0.941 0.765 CB 1.241 18 residues pruned to eliminate duplicates Z: 19 17.689 1.998 0.415 0.858 1.000 0.722 CB 1.086 19 residues pruned to eliminate duplicates Z: 8 7.395 1.445 0.528 0.768 0.857 0.857 CA 1.164 8 residues pruned to eliminate duplicates Z: 19 13.829 1.723 0.403 0.878 0.944 0.778 CA 1.036 Z: 8 11.858 2.172 0.794 0.410 0.857 0.571 CA 1.475 Z: 20 9.879 1.899 0.081 0.415 0.842 0.421 CB 1.432 18 residues pruned to eliminate duplicates Z: 22 34.595 2.093 0.662 0.893 0.952 0.619 CA 1.635 22 residues pruned to eliminate duplicates Z: 15 25.874 2.171 0.694 0.912 1.000 0.786 CB 1.331 15 residues pruned to eliminate duplicates Z: 12 7.517 1.725 0.341 0.481 0.818 0.273 CA 1.220 Z: 20 22.263 1.975 0.760 0.896 0.895 0.789 CA 1.177 19 residues pruned to eliminate duplicates Z: 25 32.563 2.022 0.729 0.862 0.917 0.625 CB 1.523 25 residues pruned to eliminate duplicates Z: 13 13.125 2.110 0.155 0.499 0.917 0.583 CA 1.697 13 residues pruned to eliminate duplicates Z: 14 19.688 2.015 0.541 0.828 0.846 0.692 CA 1.565 14 residues pruned to eliminate duplicates Z: 16 17.550 2.051 0.570 0.457 0.867 0.467 CB 1.697 6 residues pruned to eliminate duplicates Z: 23 15.898 2.128 0.348 0.368 0.909 0.591 CA 1.499 19 residues pruned to eliminate duplicates Z: 12 24.230 2.139 0.506 0.899 1.000 1.000 CA 1.621 12 residues pruned to eliminate duplicates Z: 16 7.271 1.884 0.195 0.362 0.733 0.533 CB 1.318 15 residues pruned to eliminate duplicates Z: 15 14.336 1.922 0.437 0.898 0.857 0.643 CA 1.157 15 residues pruned to eliminate duplicates Z: 49 33.795 2.031 0.496 0.551 1.000 0.583 CA 1.528 39 residues pruned to eliminate duplicates Z: 12 7.116 1.792 0.367 0.420 0.727 0.364 CB 1.308 12 residues pruned to eliminate duplicates Z: 7 7.091 1.845 0.641 0.556 0.667 0.667 CA 1.358 6 residues pruned to eliminate duplicates Z: 6 10.387 2.177 0.499 0.738 1.000 0.800 CB 1.150 6 residues pruned to eliminate duplicates Z: 22 23.832 2.035 0.280 0.867 1.000 0.762 CA 1.462 22 residues pruned to eliminate duplicates Z: 19 35.633 2.251 0.542 0.868 1.000 0.889 CA 1.769 19 residues pruned to eliminate duplicates Z: 9 7.987 1.705 0.140 0.835 1.000 0.750 CA 1.088 9 residues pruned to eliminate duplicates Z: 8 5.963 1.690 0.143 0.354 1.000 0.286 CB 1.367 Z: 7 10.035 1.752 0.609 0.663 1.000 0.667 CA 1.249 Z: 10 18.629 2.250 0.298 0.811 1.000 0.667 CA 1.622 10 residues pruned to eliminate duplicates Z: 20 14.823 1.992 0.271 0.505 0.947 0.684 CB 1.411 20 residues pruned to eliminate duplicates Z: 23 11.806 2.050 0.325 0.396 0.773 0.545 CA 1.339 Z: 13 9.742 1.967 -0.026 0.779 1.000 0.750 CB 1.147 13 residues pruned to eliminate duplicates Z: 19 18.613 2.056 0.328 0.832 0.944 0.778 CA 1.277 19 residues pruned to eliminate duplicates Z: 8 16.366 1.789 0.601 0.883 1.000 0.857 O 1.562 12 residues pruned to eliminate duplicates Z: 19 9.708 1.923 0.173 0.394 0.889 0.611 CB 1.276 19 residues pruned to eliminate duplicates Z: 12 17.356 2.194 0.134 0.863 1.000 0.727 CB 1.543 12 residues pruned to eliminate duplicates Z: 22 17.103 2.210 0.307 0.329 0.952 0.476 CA 1.637 25 residues pruned to eliminate duplicates Z: 7 4.357 1.761 0.017 0.641 0.833 0.667 N 1.045 Z: 7 4.537 1.523 0.332 0.688 0.667 0.667 N 1.153 7 residues pruned to eliminate duplicates Z: 9 4.990 1.842 0.310 0.289 1.000 0.375 CA 0.926 9 residues pruned to eliminate duplicates Z: 11 10.073 1.901 0.353 0.479 0.800 0.400 CA 1.581 10 residues pruned to eliminate duplicates Z: 12 20.132 2.226 0.175 0.874 1.000 0.818 CB 1.689 12 residues pruned to eliminate duplicates Z: 29 16.909 2.050 0.366 0.372 0.857 0.429 CB 1.527 27 residues pruned to eliminate duplicates Z: 10 18.281 1.890 0.549 0.896 1.000 0.889 CA 1.491 8 residues pruned to eliminate duplicates Z: 22 26.628 2.003 0.606 0.855 0.952 0.714 CA 1.400 22 residues pruned to eliminate duplicates Z: 12 8.885 2.027 0.188 0.478 0.727 0.636 N 1.565 14 residues pruned to eliminate duplicates Z: 10 12.938 1.890 0.374 0.905 1.000 0.333 CB 1.182 Z: 30 18.690 2.135 0.348 0.356 0.931 0.552 CA 1.513 29 residues pruned to eliminate duplicates Z: 15 19.736 2.153 0.622 0.856 0.857 0.643 CA 1.299 15 residues pruned to eliminate duplicates Z: 7 8.260 2.068 -0.067 0.856 1.000 0.833 CB 1.290 7 residues pruned to eliminate duplicates Z: 20 7.613 1.954 0.415 0.246 0.632 0.316 CB 1.340 19 residues pruned to eliminate duplicates Z: 11 14.928 2.134 0.255 0.830 1.000 0.700 CB 1.326 11 residues pruned to eliminate duplicates Z: 29 15.022 2.217 0.237 0.319 0.821 0.429 CA 1.538 29 residues pruned to eliminate duplicates Z: 8 3.719 1.711 0.465 0.282 0.857 0.571 CB 0.837 Z: 14 11.114 1.801 0.333 0.802 0.769 0.385 N 1.282 14 residues pruned to eliminate duplicates Z: 23 15.909 2.071 0.403 0.422 0.864 0.455 CA 1.466 32 residues pruned to eliminate duplicates Z: 18 15.319 1.984 0.532 0.435 0.882 0.588 CA 1.482 19 residues pruned to eliminate duplicates Z: 11 20.071 1.944 0.975 0.666 1.000 0.600 CA 1.418 11 residues pruned to eliminate duplicates Z: 8 4.406 1.855 0.168 0.294 0.714 0.429 CA 1.355 8 residues pruned to eliminate duplicates Z: 28 16.000 1.992 0.285 0.537 0.852 0.593 CB 1.363 27 residues pruned to eliminate duplicates Z: 10 15.092 1.920 0.217 0.862 1.000 0.667 N 1.582 11 residues pruned to eliminate duplicates Z: 14 13.711 1.984 0.264 0.548 0.923 0.769 CB 1.567 16 residues pruned to eliminate duplicates Z: 20 11.959 1.920 0.342 0.497 0.895 0.632 CB 1.193 17 residues pruned to eliminate duplicates Z: 7 4.054 1.714 0.232 0.468 0.833 0.333 CA 0.972 Z: 11 17.310 2.241 0.167 0.874 1.000 0.800 CB 1.523 11 residues pruned to eliminate duplicates Z: 7 9.608 1.907 0.312 0.704 1.000 1.000 CB 1.302 7 residues pruned to eliminate duplicates Z: 20 17.374 1.933 0.549 0.896 1.000 0.842 CA 0.954 20 residues pruned to eliminate duplicates Z: 7 2.496 1.728 -0.017 0.501 0.833 0.500 CB 0.719 7 residues pruned to eliminate duplicates Z: 10 13.208 2.108 0.112 0.829 1.000 0.889 CB 1.413 10 residues pruned to eliminate duplicates Z: 17 17.494 2.008 0.409 0.857 0.875 0.312 CB 1.301 17 residues pruned to eliminate duplicates Z: 10 14.230 1.948 0.438 0.766 1.000 0.889 CA 1.338 11 residues pruned to eliminate duplicates Z: 20 27.193 1.976 0.542 0.886 1.000 0.684 CA 1.477 20 residues pruned to eliminate duplicates Z: 31 17.176 2.071 0.452 0.318 0.867 0.367 CA 1.471 30 residues pruned to eliminate duplicates Z: 13 19.703 2.164 0.584 0.885 0.917 0.667 CA 1.307 15 residues pruned to eliminate duplicates Z: 21 27.009 2.129 0.644 0.850 0.950 0.700 CB 1.346 22 residues pruned to eliminate duplicates Z: 11 13.986 2.045 0.385 0.851 1.000 0.600 CB 1.156 10 residues pruned to eliminate duplicates Z: 9 12.800 2.018 0.368 0.817 1.000 0.750 CA 1.245 8 residues pruned to eliminate duplicates Z: 10 12.554 2.166 0.320 0.826 0.778 0.667 CA 1.418 10 residues pruned to eliminate duplicates Z: 18 10.402 1.989 0.284 0.354 0.765 0.353 CB 1.512 18 residues pruned to eliminate duplicates Z: 13 17.192 1.914 0.432 0.807 1.000 0.417 CB 1.385 13 residues pruned to eliminate duplicates Z: 13 7.702 1.880 0.085 0.350 0.833 0.500 CA 1.539 9 residues pruned to eliminate duplicates Z: 8 7.412 1.905 0.480 0.423 0.857 0.571 CA 1.256 8 residues pruned to eliminate duplicates Z: 10 8.795 1.992 0.150 0.605 0.889 0.667 CA 1.302 Z: 12 14.950 2.022 0.374 0.852 1.000 0.636 CB 1.201 11 residues pruned to eliminate duplicates Z: 15 17.986 2.052 0.576 0.884 0.857 0.429 CB 1.253 15 residues pruned to eliminate duplicates Z: 41 21.108 1.969 0.398 0.449 0.900 0.550 CB 1.420 19 residues pruned to eliminate duplicates Z: 7 3.553 1.656 0.320 0.274 1.000 0.667 N 0.857 Z: 10 4.410 1.738 0.455 0.211 0.667 0.556 CB 1.226 Z: 13 6.590 1.529 0.549 0.457 0.917 0.583 CB 0.916 Z: 6 4.649 1.744 0.192 0.374 1.000 0.600 CB 1.144 6 residues pruned to eliminate duplicates Z: 22 14.908 2.018 0.186 0.468 0.952 0.571 CA 1.473 23 residues pruned to eliminate duplicates Z: 24 11.670 1.803 0.439 0.405 0.826 0.435 CB 1.255 12 residues pruned to eliminate duplicates Z: 9 5.929 1.764 0.106 0.521 0.875 0.625 CB 1.203 9 residues pruned to eliminate duplicates Z: 8 3.304 1.572 -0.014 0.272 0.857 0.429 CB 1.219 Z: 11 2.812 1.788 0.123 0.185 0.500 0.400 CB 1.293 11 residues pruned to eliminate duplicates Z: 12 17.709 2.010 0.530 0.676 1.000 0.727 CA 1.476 12 residues pruned to eliminate duplicates Z: 13 8.861 1.992 0.236 0.535 0.750 0.667 CB 1.339 13 residues pruned to eliminate duplicates Z: 41 21.401 2.142 0.317 0.404 0.850 0.500 CA 1.562 41 residues pruned to eliminate duplicates Z: 17 29.756 2.169 0.611 0.881 1.000 0.562 CB 1.541 17 residues pruned to eliminate duplicates Z: 14 18.453 2.230 0.262 0.894 1.000 0.692 CB 1.305 14 residues pruned to eliminate duplicates Z: 11 11.751 2.016 0.693 0.354 0.900 0.500 CA 1.417 13 residues pruned to eliminate duplicates Z: 13 13.317 1.915 0.454 0.573 0.917 0.417 CA 1.404 7 residues pruned to eliminate duplicates Z: 21 20.981 1.962 0.550 0.874 0.950 0.650 CA 1.182 21 residues pruned to eliminate duplicates Z: 9 12.069 2.111 0.674 0.601 0.875 0.875 CB 1.253 9 residues pruned to eliminate duplicates Z: 14 12.477 1.985 0.272 0.455 0.923 0.615 CB 1.554 12 residues pruned to eliminate duplicates Z: 8 3.123 1.402 0.140 0.289 0.857 0.571 N 1.093 Z: 15 22.650 2.191 0.543 0.854 0.857 0.714 CB 1.543 15 residues pruned to eliminate duplicates Z: 35 16.662 2.074 0.278 0.331 0.912 0.441 CA 1.423 35 residues pruned to eliminate duplicates Z: 14 11.732 1.965 0.285 0.617 0.846 0.538 CA 1.363 12 residues pruned to eliminate duplicates Z: 10 7.566 2.053 -0.072 0.819 0.889 0.556 CB 1.129 10 residues pruned to eliminate duplicates Z: 13 24.923 2.217 0.380 0.869 1.000 0.667 CB 1.718 13 residues pruned to eliminate duplicates Z: 12 11.410 2.134 -0.006 0.864 0.909 0.545 CB 1.307 12 residues pruned to eliminate duplicates Z: 11 14.971 2.218 0.089 0.858 1.000 0.800 CB 1.443 11 residues pruned to eliminate duplicates Z: 6 2.663 1.488 0.691 0.266 0.600 0.400 CB 1.030 6 residues pruned to eliminate duplicates Z: 8 15.507 2.032 0.593 0.660 1.000 0.857 CA 1.561 10 residues pruned to eliminate duplicates Z: 10 5.840 1.728 0.266 0.429 0.778 0.556 CB 1.231 10 residues pruned to eliminate duplicates Z: 22 14.349 1.849 0.368 0.480 0.952 0.524 CA 1.327 12 residues pruned to eliminate duplicates Z: 9 2.848 1.547 0.187 0.327 0.750 0.500 CB 0.884 Z: 25 14.386 1.973 0.431 0.400 0.917 0.583 CB 1.260 25 residues pruned to eliminate duplicates Z: 7 4.590 1.708 -0.066 0.442 1.000 0.667 N 1.248 6 residues pruned to eliminate duplicates Z: 9 7.861 1.754 0.411 0.704 0.750 0.625 CA 1.244 Z: 8 4.405 1.385 0.168 0.458 1.000 0.714 CA 1.074 Z: 12 9.248 1.888 0.494 0.555 0.727 0.545 CA 1.287 12 residues pruned to eliminate duplicates Z: 8 9.285 1.526 0.444 0.882 1.000 0.714 O 1.152 8 residues pruned to eliminate duplicates Z: 12 15.786 2.278 0.207 0.875 0.909 0.545 CB 1.385 12 residues pruned to eliminate duplicates Z: 10 9.149 1.662 0.300 0.832 1.000 0.667 CA 1.060 14 residues pruned to eliminate duplicates Z: 6 11.526 1.812 0.769 0.853 1.000 0.600 CA 1.188 8 residues pruned to eliminate duplicates Z: 29 10.473 1.887 0.343 0.321 0.821 0.500 CB 1.157 29 residues pruned to eliminate duplicates Z: 6 7.414 1.579 0.310 0.807 1.000 1.000 CA 1.226 7 residues pruned to eliminate duplicates Z: 13 9.023 1.909 0.416 0.315 0.750 0.333 CB 1.576 10 residues pruned to eliminate duplicates Z: 12 4.755 1.741 -0.092 0.329 0.818 0.636 N 1.338 7 residues pruned to eliminate duplicates Z: 9 5.411 1.759 -0.138 0.519 1.000 0.625 CB 1.238 7 residues pruned to eliminate duplicates 6 0.521 1.552 0.205 0.356 0.800 0.600 CB 0.182 ? Z: 19 7.503 1.767 0.583 0.425 0.611 0.333 CB 1.119 18 residues pruned to eliminate duplicates Z: 28 12.762 1.975 0.382 0.354 0.815 0.444 CB 1.292 28 residues pruned to eliminate duplicates Z: 21 33.019 2.233 0.584 0.893 0.950 0.700 CB 1.578 21 residues pruned to eliminate duplicates Z: 52 22.958 2.113 0.368 0.378 0.824 0.392 CA 1.537 48 residues pruned to eliminate duplicates Z: 9 3.642 1.651 0.363 0.217 0.625 0.375 C 1.277 9 residues pruned to eliminate duplicates Z: 18 8.882 1.868 0.525 0.405 0.824 0.588 CB 1.015 18 residues pruned to eliminate duplicates Z: 16 13.797 1.954 0.362 0.515 0.933 0.533 CB 1.414 16 residues pruned to eliminate duplicates Z: 12 13.507 2.117 0.168 0.798 0.909 0.636 CB 1.395 12 residues pruned to eliminate duplicates Z: 112 41.484 2.162 0.355 0.479 0.874 0.514 CB 1.571 108 residues pruned to eliminate duplicates Z: 13 11.133 1.911 0.391 0.559 0.833 0.583 CA 1.370 16 residues pruned to eliminate duplicates Z: 11 5.830 1.845 0.311 0.434 0.600 0.500 CA 1.360 11 residues pruned to eliminate duplicates Z: 7 2.094 1.520 0.176 0.320 0.667 0.500 CB 0.875 Z: 15 21.370 2.244 0.308 0.877 0.786 0.714 N 1.799 15 residues pruned to eliminate duplicates Z: 45 30.119 2.033 0.465 0.562 0.909 0.682 CA 1.579 45 residues pruned to eliminate duplicates Z: 13 10.457 1.971 0.561 0.433 0.917 0.750 CA 1.147 13 residues pruned to eliminate duplicates Z: 33 17.478 1.961 0.342 0.395 0.938 0.594 CA 1.398 33 residues pruned to eliminate duplicates Z: 55 23.722 2.110 0.379 0.370 0.852 0.519 CB 1.496 55 residues pruned to eliminate duplicates Z: 7 4.452 1.753 0.193 0.539 0.833 0.667 CA 1.003 6 residues pruned to eliminate duplicates Z: 7 11.181 1.778 0.464 0.766 1.000 0.667 CA 1.385 6 residues pruned to eliminate duplicates 7 1.626 1.601 -0.203 0.419 0.833 0.500 N 0.679 ? Z: 8 3.394 1.471 0.150 0.455 0.714 0.429 CA 1.112 Z: 6 2.219 1.681 0.094 0.412 0.600 0.400 N 0.986 Z: 12 8.097 1.823 0.096 0.552 0.909 0.727 CB 1.277 12 residues pruned to eliminate duplicates Z: 29 13.118 2.023 0.330 0.314 0.786 0.357 CB 1.441 29 residues pruned to eliminate duplicates Z: 14 9.061 1.861 0.397 0.476 0.846 0.385 CB 1.170 14 residues pruned to eliminate duplicates Z: 16 5.259 1.795 0.470 0.224 0.600 0.333 CB 1.185 16 residues pruned to eliminate duplicates Z: 11 9.505 1.575 0.783 0.732 0.900 0.500 CA 0.965 10 residues pruned to eliminate duplicates Z: 7 3.693 1.675 0.553 0.427 0.833 0.667 CB 0.751 Z: 9 13.037 1.820 0.488 0.663 1.000 0.625 CB 1.463 18 residues pruned to eliminate duplicates Z: 10 14.198 1.970 0.178 0.830 1.000 0.556 CA 1.534 10 residues pruned to eliminate duplicates Z: 22 30.545 2.104 0.516 0.869 0.952 0.714 CA 1.603 22 residues pruned to eliminate duplicates 6 1.645 1.214 0.164 0.278 0.800 0.400 C 0.837 ? Z: 21 16.487 2.009 0.276 0.535 0.900 0.500 CB 1.543 22 residues pruned to eliminate duplicates Z: 9 5.334 1.418 0.371 0.345 1.000 0.625 CB 1.148 Z: 7 3.664 1.568 0.331 0.420 0.833 0.500 CB 0.935 Z: 32 19.619 1.856 0.578 0.396 0.935 0.581 CB 1.435 32 residues pruned to eliminate duplicates Z: 46 18.466 2.091 0.273 0.361 0.800 0.400 CB 1.501 46 residues pruned to eliminate duplicates Z: 19 13.869 1.773 0.433 0.524 0.944 0.667 CB 1.330 19 residues pruned to eliminate duplicates Z: 15 18.836 2.047 0.565 0.845 1.000 0.714 CA 1.169 14 residues pruned to eliminate duplicates Z: 35 20.075 1.960 0.535 0.540 0.853 0.529 CB 1.290 34 residues pruned to eliminate duplicates Z: 19 18.598 1.810 0.726 0.860 0.944 0.667 CA 1.093 19 residues pruned to eliminate duplicates Z: 7 4.152 1.562 0.386 0.360 0.833 0.333 CA 1.093 Z: 46 22.636 2.138 0.359 0.357 0.889 0.511 CA 1.526 46 residues pruned to eliminate duplicates Z: 6 7.651 1.859 0.243 0.518 1.000 0.800 CB 1.454 7 residues pruned to eliminate duplicates Z: 14 16.844 2.040 0.458 0.767 0.923 0.615 CA 1.343 13 residues pruned to eliminate duplicates Z: 10 12.092 2.257 0.056 0.770 0.889 0.667 CB 1.498 10 residues pruned to eliminate duplicates Z: 7 2.435 1.477 -0.091 0.690 0.667 0.500 N 0.933 7 residues pruned to eliminate duplicates Z: 11 3.310 1.864 0.083 0.193 0.600 0.300 CB 1.247 11 residues pruned to eliminate duplicates Z: 9 6.375 1.789 0.093 0.537 0.750 0.625 CB 1.482 7 residues pruned to eliminate duplicates Z: 8 3.158 1.485 0.223 0.214 0.714 0.571 N 1.288 Z: 55 24.785 2.141 0.411 0.375 0.815 0.370 CA 1.566 57 residues pruned to eliminate duplicates Z: 16 23.822 2.032 0.839 0.866 0.933 0.733 CA 1.291 16 residues pruned to eliminate duplicates Z: 7 6.510 1.833 0.276 0.389 1.000 0.500 CA 1.278 7 residues pruned to eliminate duplicates Z: 11 3.893 1.743 0.252 0.537 0.900 0.500 CB 0.604 Z: 8 3.156 1.662 0.051 0.383 0.857 0.429 CA 0.902 8 residues pruned to eliminate duplicates Z: 53 36.603 2.231 0.327 0.635 0.981 0.577 CB 1.539 53 residues pruned to eliminate duplicates Z: 23 17.595 1.939 0.569 0.445 1.000 0.636 CA 1.304 25 residues pruned to eliminate duplicates Z: 9 12.033 1.903 0.737 0.452 0.875 0.625 N 1.546 12 residues pruned to eliminate duplicates Z: 6 4.295 1.755 0.103 0.515 0.800 0.400 CA 1.221 6 residues pruned to eliminate duplicates Z: 12 12.194 1.999 0.546 0.464 0.818 0.364 N 1.509 12 residues pruned to eliminate duplicates Z: 11 12.539 2.174 0.145 0.781 0.900 0.400 CB 1.382 11 residues pruned to eliminate duplicates Z: 51 18.737 2.028 0.323 0.329 0.840 0.360 CB 1.419 51 residues pruned to eliminate duplicates Z: 9 12.342 2.079 0.423 0.502 0.875 0.500 CA 1.681 8 residues pruned to eliminate duplicates Z: 21 12.239 1.946 0.496 0.350 0.850 0.500 CA 1.301 21 residues pruned to eliminate duplicates Z: 21 18.598 2.016 0.353 0.534 0.950 0.650 CB 1.551 21 residues pruned to eliminate duplicates Z: 6 2.341 1.410 0.239 0.220 1.000 0.200 N 0.833 4 residues pruned to eliminate duplicates Z: 10 10.672 1.826 0.560 0.831 0.889 0.778 CA 1.055 10 residues pruned to eliminate duplicates Z: 30 17.379 1.949 0.499 0.401 0.862 0.586 CB 1.423 30 residues pruned to eliminate duplicates Z: 17 22.640 2.014 0.858 0.905 0.812 0.625 CA 1.325 17 residues pruned to eliminate duplicates Z: 13 19.417 2.008 0.301 0.897 1.000 0.833 CB 1.535 13 residues pruned to eliminate duplicates Z: 10 8.137 1.556 0.322 0.577 1.000 0.667 CB 1.224 10 residues pruned to eliminate duplicates Z: 29 15.082 2.081 0.328 0.385 0.821 0.429 CB 1.419 29 residues pruned to eliminate duplicates Z: 6 2.786 1.519 -0.002 0.871 1.000 1.000 CB 0.600 Z: 15 11.034 1.942 0.441 0.446 0.857 0.571 CB 1.299 15 residues pruned to eliminate duplicates Z: 7 2.483 1.491 0.978 0.412 0.667 0.500 CB 0.565 Z: 26 15.495 2.136 0.439 0.341 0.760 0.520 CA 1.577 26 residues pruned to eliminate duplicates Z: 6 3.679 1.531 0.643 0.400 0.600 0.400 CB 1.212 Z: 17 10.537 1.870 0.270 0.475 0.938 0.562 CB 1.214 14 residues pruned to eliminate duplicates Z: 11 5.634 1.440 0.433 0.276 1.000 0.200 CB 1.112 Z: 6 6.472 1.701 0.044 0.844 1.000 1.000 CB 1.214 Z: 6 3.943 1.792 -0.139 0.771 0.600 0.400 N 1.499 6 residues pruned to eliminate duplicates Z: 6 5.549 1.313 0.873 0.692 0.800 0.800 O 1.058 Z: 8 4.218 1.588 0.199 0.538 0.714 0.714 CB 1.130 12 residues pruned to eliminate duplicates Z: 33 18.404 2.028 0.518 0.347 0.875 0.562 CA 1.426 33 residues pruned to eliminate duplicates Z: 14 21.773 2.099 0.518 0.899 1.000 0.538 CB 1.354 12 residues pruned to eliminate duplicates Z: 17 19.514 2.099 0.895 0.897 0.812 0.375 CA 1.081 17 residues pruned to eliminate duplicates Z: 14 7.361 1.814 -0.011 0.491 1.000 0.615 CB 1.149 14 residues pruned to eliminate duplicates Z: 8 13.844 2.100 0.323 0.758 1.000 0.714 CA 1.496 9 residues pruned to eliminate duplicates Z: 18 19.057 1.973 0.700 0.494 0.941 0.529 CA 1.474 25 residues pruned to eliminate duplicates Z: 16 12.022 2.096 0.274 0.452 0.800 0.533 CB 1.527 16 residues pruned to eliminate duplicates Z: 6 2.398 1.116 0.084 0.742 1.000 0.600 C 0.714 6 1.202 1.249 0.628 0.368 0.800 0.600 CB 0.380 ? Z: 10 7.776 2.020 0.217 0.390 0.889 0.444 CB 1.332 10 residues pruned to eliminate duplicates Z: 8 4.638 1.663 0.320 0.628 0.714 0.429 CB 0.991 10 residues pruned to eliminate duplicates Z: 6 4.278 1.620 0.289 0.459 0.800 0.400 C 1.195 6 residues pruned to eliminate duplicates Z: 12 6.332 1.703 0.273 0.538 0.909 0.455 CA 0.933 12 residues pruned to eliminate duplicates Z: 10 6.163 1.854 -0.027 0.437 0.889 0.556 CA 1.368 10 residues pruned to eliminate duplicates Z: 10 3.703 1.568 0.457 0.219 0.667 0.444 O 1.127 Z: 34 12.566 1.896 0.336 0.337 0.788 0.485 CB 1.309 34 residues pruned to eliminate duplicates Z: 6 4.183 1.767 -0.043 0.431 0.800 0.400 CA 1.486 Z: 11 10.069 1.957 0.577 0.764 0.700 0.400 CB 1.166 11 residues pruned to eliminate duplicates Z: 29 12.026 1.909 0.316 0.358 0.821 0.571 CA 1.284 29 residues pruned to eliminate duplicates Z: 6 3.512 1.439 0.388 0.449 0.800 0.400 CA 1.036 Z: 6 3.688 1.597 0.940 0.775 1.000 0.800 CB 0.417 Z: 20 23.064 1.973 0.919 0.869 0.895 0.474 CA 1.141 20 residues pruned to eliminate duplicates Z: 21 29.879 2.098 0.680 0.916 1.000 0.750 CB 1.339 23 residues pruned to eliminate duplicates Z: 22 18.989 1.951 0.691 0.732 0.905 0.762 CA 1.127 22 residues pruned to eliminate duplicates Z: 26 26.134 2.129 0.616 0.619 0.880 0.480 CA 1.543 26 residues pruned to eliminate duplicates Z: 43 33.832 2.245 0.393 0.656 0.929 0.595 CB 1.555 43 residues pruned to eliminate duplicates Z: 6 3.976 1.305 0.412 0.883 1.000 0.800 CB 0.698 6 residues pruned to eliminate duplicates Z: 18 8.103 1.818 0.479 0.378 0.824 0.471 CA 1.010 18 residues pruned to eliminate duplicates Z: 8 8.109 1.846 0.333 0.744 0.857 0.857 CA 1.168 8 residues pruned to eliminate duplicates Z: 7 8.683 2.075 0.047 0.821 1.000 0.667 CB 1.235 7 residues pruned to eliminate duplicates Z: 7 3.798 1.525 0.181 0.646 0.833 0.500 CB 0.901 Z: 9 2.181 1.339 0.186 0.369 0.625 0.625 CA 0.894 6 residues pruned to eliminate duplicates Z: 7 16.663 2.099 0.526 0.712 1.000 0.833 CA 1.752 7 residues pruned to eliminate duplicates Z: 28 10.543 1.953 0.358 0.357 0.704 0.556 CB 1.270 28 residues pruned to eliminate duplicates Z: 9 12.645 1.897 0.138 0.881 1.000 0.750 CA 1.500 9 residues pruned to eliminate duplicates Z: 18 13.174 1.837 0.537 0.512 0.882 0.588 CA 1.266 18 residues pruned to eliminate duplicates Z: 6 5.580 1.284 1.009 0.546 1.000 0.600 CB 0.925 Z: 6 3.800 1.634 0.387 0.559 0.800 0.800 CA 0.885 Z: 6 3.102 1.682 0.065 0.676 0.800 0.600 CB 0.823 6 residues pruned to eliminate duplicates Z: 25 12.131 2.005 0.286 0.373 0.833 0.583 CB 1.320 25 residues pruned to eliminate duplicates Z: 15 8.674 1.783 0.297 0.571 0.786 0.500 CB 1.191 15 residues pruned to eliminate duplicates 6 1.915 1.044 0.339 0.355 1.000 0.400 N 0.717 ? Z: 20 21.006 1.958 0.862 0.892 0.947 0.632 CA 1.002 20 residues pruned to eliminate duplicates Z: 6 2.896 1.422 0.573 0.359 0.600 0.400 CA 1.124 Z: 8 8.861 1.824 0.557 0.527 1.000 0.714 CA 1.149 8 residues pruned to eliminate duplicates Z: 7 5.564 1.675 0.059 0.723 0.833 0.667 CB 1.257 7 residues pruned to eliminate duplicates Z: 12 7.141 1.999 0.156 0.312 0.818 0.455 CB 1.404 12 residues pruned to eliminate duplicates Z: 10 11.409 1.769 0.939 0.873 1.000 0.889 CA 0.808 10 residues pruned to eliminate duplicates Z: 22 15.584 1.933 0.508 0.363 0.952 0.571 CA 1.420 22 residues pruned to eliminate duplicates Z: 9 4.495 1.430 0.307 0.528 0.750 0.375 CB 1.102 Z: 7 3.369 1.595 0.453 0.501 0.667 0.500 N 0.890 Z: 9 17.541 2.156 0.613 0.751 1.000 0.875 CB 1.425 9 residues pruned to eliminate duplicates Z: 18 8.051 1.725 0.554 0.220 0.824 0.471 CB 1.228 18 residues pruned to eliminate duplicates Z: 16 10.588 1.928 0.422 0.297 0.867 0.467 CB 1.444 16 residues pruned to eliminate duplicates Z: 18 14.232 2.188 0.261 0.863 0.706 0.412 CB 1.301 18 residues pruned to eliminate duplicates Z: 7 3.589 1.849 0.100 0.248 1.000 0.833 CB 0.963 7 residues pruned to eliminate duplicates Z: 14 6.951 1.712 0.592 0.315 0.846 0.308 CB 1.026 13 residues pruned to eliminate duplicates Z: 7 3.760 1.551 -0.087 0.465 1.000 0.667 CB 1.123 7 residues pruned to eliminate duplicates Z: 29 17.614 2.048 0.449 0.389 0.857 0.321 CB 1.473 29 residues pruned to eliminate duplicates Z: 11 7.351 1.869 0.202 0.440 0.800 0.400 CA 1.376 11 residues pruned to eliminate duplicates Z: 13 12.687 2.061 0.164 0.516 1.000 0.833 CA 1.503 13 residues pruned to eliminate duplicates Z: 7 2.179 1.461 0.204 0.246 0.667 0.500 CB 1.016 Z: 6 6.086 1.516 0.632 0.568 1.000 0.600 CA 1.030 6 residues pruned to eliminate duplicates Z: 16 27.848 2.156 0.939 0.899 0.867 0.533 CB 1.418 16 residues pruned to eliminate duplicates 6 1.301 1.241 -0.238 0.483 0.800 0.400 CB 0.783 ? Z: 13 6.827 1.755 0.435 0.337 0.667 0.333 CA 1.403 13 residues pruned to eliminate duplicates Z: 14 21.112 1.948 0.742 0.825 0.846 0.538 CB 1.539 14 residues pruned to eliminate duplicates Z: 8 3.898 1.330 0.227 0.603 0.857 0.571 O 0.954 5 residues pruned to eliminate duplicates Z: 26 13.967 1.825 0.411 0.347 0.880 0.480 CA 1.456 22 residues pruned to eliminate duplicates Z: 19 12.858 1.875 0.327 0.527 0.944 0.667 CA 1.256 16 residues pruned to eliminate duplicates Z: 37 12.480 1.831 0.384 0.434 0.778 0.361 CB 1.130 37 residues pruned to eliminate duplicates Z: 18 19.660 1.903 0.355 0.857 1.000 0.706 CA 1.363 18 residues pruned to eliminate duplicates 6 1.731 1.278 -0.155 0.570 1.000 0.800 CA 0.670 ? Z: 12 13.533 1.991 0.723 0.481 0.909 0.636 CB 1.334 12 residues pruned to eliminate duplicates Z: 16 11.233 1.876 0.330 0.549 0.933 0.667 CB 1.187 16 residues pruned to eliminate duplicates Z: 6 2.477 1.340 0.115 0.398 0.800 0.400 N 1.032 Z: 22 9.793 1.864 0.212 0.294 0.857 0.381 CB 1.391 22 residues pruned to eliminate duplicates Z: 14 15.521 2.013 0.330 0.905 1.000 0.923 CA 1.144 14 residues pruned to eliminate duplicates Z: 50 43.485 2.258 0.640 0.637 0.939 0.408 CB 1.572 50 residues pruned to eliminate duplicates Z: 8 4.016 1.544 0.457 0.352 0.714 0.714 N 1.109 Z: 7 3.361 1.709 0.569 0.347 0.667 0.500 N 0.906 7 residues pruned to eliminate duplicates Z: 6 4.161 1.274 0.623 0.837 0.800 0.600 CA 0.841 Z: 6 3.535 1.465 0.019 0.415 1.000 0.600 CB 1.157 5 residues pruned to eliminate duplicates Z: 21 15.792 2.023 0.192 0.529 0.950 0.650 CB 1.498 21 residues pruned to eliminate duplicates Z: 8 2.925 1.431 0.076 0.398 0.857 0.714 CB 0.934 Z: 16 8.847 1.832 0.152 0.533 0.867 0.600 CB 1.209 16 residues pruned to eliminate duplicates Z: 10 3.928 1.434 0.243 0.397 0.778 0.333 CB 1.053 6 residues pruned to eliminate duplicates Z: 21 19.963 1.976 0.870 0.783 0.800 0.500 CA 1.177 21 residues pruned to eliminate duplicates Z: 6 2.246 1.087 -0.097 0.600 1.000 0.600 CB 0.931 Z: 15 11.402 2.075 0.909 0.311 0.714 0.500 CB 1.329 15 residues pruned to eliminate duplicates Z: 26 12.457 1.811 0.367 0.391 0.800 0.560 CB 1.413 26 residues pruned to eliminate duplicates Z: 38 21.192 2.020 0.622 0.431 0.730 0.459 CB 1.565 38 residues pruned to eliminate duplicates Z: 7 2.353 1.470 0.376 0.420 0.500 0.333 CB 1.032 Z: 13 8.837 1.819 0.499 0.389 0.833 0.583 CB 1.263 13 residues pruned to eliminate duplicates Z: 6 3.946 1.770 0.435 0.676 1.000 1.000 CA 0.591 Z: 44 34.953 2.147 0.466 0.692 0.953 0.721 CB 1.491 44 residues pruned to eliminate duplicates Z: 6 3.482 1.268 0.519 0.704 1.000 0.400 CB 0.672 Z: 21 29.436 2.042 0.607 0.875 0.900 0.500 CA 1.621 21 residues pruned to eliminate duplicates Z: 6 2.288 1.328 -0.107 0.432 1.000 0.400 C 0.926 6 1.609 1.253 0.552 0.239 0.600 0.400 N 0.835 ? Z: 8 6.979 2.061 0.365 0.628 0.857 0.571 CA 0.969 8 residues pruned to eliminate duplicates 6 1.956 1.427 0.209 0.227 0.800 0.200 CB 0.872 ? Z: 8 4.619 1.420 0.242 0.586 0.857 0.714 C 1.063 Z: 6 3.929 1.502 0.505 0.287 0.800 0.400 C 1.236 Z: 42 19.802 2.110 0.224 0.377 0.854 0.415 CB 1.599 42 residues pruned to eliminate duplicates Z: 7 3.239 1.463 0.311 0.389 0.833 0.500 O 0.931 Z: 11 4.048 1.578 0.207 0.264 0.800 0.600 CB 1.099 5 residues pruned to eliminate duplicates 6 1.976 1.449 0.736 0.747 0.800 0.800 CB 0.352 ? Z: 8 3.861 1.420 0.105 0.374 0.857 0.571 CB 1.242 Z: 8 4.417 1.650 0.687 0.335 0.714 0.429 CB 1.006 Z: 12 4.538 1.515 0.289 0.201 0.909 0.364 C 1.099 Z: 11 2.908 1.268 0.228 0.154 1.000 0.300 N 0.902 Z: 8 5.750 1.388 0.428 0.544 1.000 0.286 CB 1.051 Z: 35 15.865 2.137 0.412 0.305 0.735 0.353 CA 1.523 35 residues pruned to eliminate duplicates Z: 6 2.204 1.400 0.300 0.405 0.800 0.800 C 0.748 Z: 9 3.922 1.451 0.759 0.262 0.875 0.500 N 0.815 9 residues pruned to eliminate duplicates Z: 39 18.699 1.873 0.327 0.518 0.947 0.684 CA 1.265 39 residues pruned to eliminate duplicates Z: 9 2.638 1.143 0.351 0.370 0.875 0.625 CA 0.794 Z: 7 3.801 1.505 0.327 0.426 1.000 0.500 CA 0.839 Z: 23 27.841 1.955 0.541 0.863 0.955 0.455 CA 1.515 23 residues pruned to eliminate duplicates 6 1.615 1.227 0.664 0.140 1.000 0.200 CB 0.553 ? Z: 36 14.722 2.045 0.262 0.315 0.800 0.286 CB 1.480 36 residues pruned to eliminate duplicates Z: 8 4.478 1.776 -0.203 0.618 1.000 0.714 CA 1.069 Z: 12 9.572 1.937 0.404 0.371 0.727 0.636 CA 1.675 12 residues pruned to eliminate duplicates Z: 7 3.340 1.548 0.277 0.432 0.833 0.167 N 0.888 Z: 37 18.206 2.131 0.335 0.315 0.889 0.444 CA 1.474 37 residues pruned to eliminate duplicates Z: 23 9.047 1.979 0.334 0.293 0.682 0.318 CB 1.351 23 residues pruned to eliminate duplicates Z: 6 2.998 1.295 0.228 0.435 1.000 0.400 O 0.902 Z: 7 2.978 1.385 0.616 0.316 0.667 0.500 C 0.998 Z: 7 9.639 1.870 0.326 0.862 1.000 0.667 CA 1.165 7 residues pruned to eliminate duplicates Z: 6 2.418 1.436 0.267 0.341 0.600 0.600 N 1.178 Z: 13 6.863 1.720 0.550 0.302 0.667 0.417 CA 1.390 13 residues pruned to eliminate duplicates Z: 9 9.041 1.916 0.009 0.645 1.000 0.625 CA 1.443 9 residues pruned to eliminate duplicates Z: 12 16.983 2.188 0.325 0.510 1.000 0.727 N 1.748 17 residues pruned to eliminate duplicates Z: 29 15.798 2.047 0.424 0.359 0.821 0.464 CB 1.451 29 residues pruned to eliminate duplicates Z: 12 6.253 1.696 0.143 0.640 0.909 0.636 CA 0.938 12 residues pruned to eliminate duplicates Z: 11 9.194 1.801 0.941 0.432 0.800 0.500 CA 1.115 11 residues pruned to eliminate duplicates Z: 13 12.036 2.075 0.236 0.540 0.917 0.417 CB 1.421 13 residues pruned to eliminate duplicates Z: 15 23.301 1.934 0.834 0.861 0.857 0.357 CA 1.505 15 residues pruned to eliminate duplicates Z: 6 2.100 1.398 0.198 0.297 0.800 0.400 CA 0.879 Z: 20 10.733 2.094 0.176 0.457 0.789 0.316 CB 1.323 20 residues pruned to eliminate duplicates Z: 36 26.036 1.976 0.531 0.640 0.943 0.543 CA 1.353 31 residues pruned to eliminate duplicates Z: 9 8.940 1.791 0.490 0.832 0.750 0.750 CB 1.185 9 residues pruned to eliminate duplicates Z: 7 4.108 1.711 0.047 0.496 1.000 0.500 CB 0.940 7 residues pruned to eliminate duplicates Z: 19 11.676 1.969 0.296 0.464 0.944 0.556 CA 1.185 19 residues pruned to eliminate duplicates Z: 6 3.837 2.000 0.555 0.404 0.600 0.400 CB 1.017 Z: 15 3.822 1.454 0.344 0.294 0.643 0.286 CB 1.024 15 residues pruned to eliminate duplicates Z: 6 2.893 1.345 0.939 0.363 0.600 0.400 N 0.959 Z: 9 9.046 1.811 0.536 0.500 0.875 0.750 N 1.315 9 residues pruned to eliminate duplicates Z: 6 3.176 1.735 0.158 0.686 0.800 0.800 CB 0.745 6 residues pruned to eliminate duplicates Z: 14 4.852 1.611 0.261 0.426 0.846 0.692 CB 0.846 13 residues pruned to eliminate duplicates Z: 7 2.284 1.371 0.326 0.384 0.667 0.500 CA 0.870 7 residues pruned to eliminate duplicates Z: 8 2.394 1.813 -0.012 0.529 1.000 0.571 CB 0.491 Z: 26 19.535 2.203 0.116 0.560 0.960 0.560 CB 1.562 26 residues pruned to eliminate duplicates Z: 13 8.274 1.772 0.074 0.524 0.917 0.583 CB 1.337 13 residues pruned to eliminate duplicates Z: 25 11.217 1.808 0.197 0.436 1.000 0.375 CB 1.130 25 residues pruned to eliminate duplicates Z: 38 18.402 2.102 0.323 0.332 0.946 0.432 CA 1.382 38 residues pruned to eliminate duplicates Z: 16 37.953 2.227 0.884 0.889 1.000 0.333 CB 1.680 16 residues pruned to eliminate duplicates Z: 8 5.423 1.392 0.929 0.560 0.714 0.714 CA 1.009 Z: 7 2.807 1.442 0.129 0.402 0.833 0.500 N 0.937 Z: 19 10.850 1.806 0.583 0.422 0.722 0.333 CB 1.344 22 residues pruned to eliminate duplicates Z: 6 4.011 1.548 -0.049 0.558 1.000 0.800 O 1.152 Z: 11 4.944 1.396 0.250 0.446 0.900 0.400 N 1.052 8 residues pruned to eliminate duplicates Z: 21 17.770 1.810 0.233 0.798 0.950 0.650 CA 1.444 21 residues pruned to eliminate duplicates Z: 7 2.669 1.371 -0.086 0.431 1.000 0.500 CB 0.935 Z: 39 22.079 1.911 0.561 0.567 0.921 0.526 CA 1.221 39 residues pruned to eliminate duplicates Z: 10 4.000 1.425 0.348 0.336 0.889 0.556 CB 0.934 Z: 6 2.894 1.383 0.374 0.325 1.000 0.600 CB 0.825 Z: 7 2.040 1.098 -0.133 0.650 1.000 0.833 N 0.760 Z: 6 3.538 1.424 0.470 0.721 1.000 0.800 CB 0.619 Z: 12 24.582 2.006 1.040 0.858 0.818 0.545 CA 1.629 12 residues pruned to eliminate duplicates Z: 9 2.993 1.600 0.262 0.267 0.750 0.500 CB 0.911 Z: 6 6.625 1.345 0.789 0.849 1.000 0.800 CB 0.913 Z: 19 11.011 1.911 0.349 0.531 0.889 0.500 CA 1.098 19 residues pruned to eliminate duplicates Z: 11 3.849 1.411 0.454 0.230 0.800 0.300 CB 1.016 Z: 23 16.138 1.888 0.254 0.568 0.955 0.591 CA 1.426 23 residues pruned to eliminate duplicates 6 1.498 1.315 0.185 0.425 0.600 0.600 C 0.774 ? Using tripeptides from previous cycle as seeds Z: 6 5.147 1.646 0.286 0.433 1.000 0.400 C 1.165 6 residues pruned to eliminate duplicates Z: 9 7.035 1.738 0.154 0.521 1.000 0.875 CA 1.215 9 residues pruned to eliminate duplicates Z: 11 5.846 1.703 0.041 0.534 0.900 0.700 CB 1.121 11 residues pruned to eliminate duplicates Z: 8 5.623 1.830 0.012 0.379 1.000 0.571 CB 1.305 8 residues pruned to eliminate duplicates Z: 12 5.315 1.649 -0.023 0.507 0.909 0.727 CA 1.087 12 residues pruned to eliminate duplicates Z: 12 4.972 1.610 0.184 0.387 0.818 0.545 CB 1.084 12 residues pruned to eliminate duplicates Z: 12 5.680 1.689 0.228 0.351 0.818 0.364 CA 1.186 12 residues pruned to eliminate duplicates Z: 18 9.663 1.966 0.080 0.397 0.882 0.529 CB 1.395 18 residues pruned to eliminate duplicates Z: 8 2.838 1.886 -0.319 0.504 0.857 0.571 CB 0.971 8 residues pruned to eliminate duplicates Z: 8 3.279 1.708 0.151 0.411 0.857 0.429 CB 0.807 8 residues pruned to eliminate duplicates Z: 10 5.639 1.807 0.002 0.485 0.889 0.556 CB 1.185 10 residues pruned to eliminate duplicates Z: 19 8.928 1.899 0.046 0.422 0.944 0.556 CB 1.216 19 residues pruned to eliminate duplicates Z: 21 10.737 1.919 0.248 0.385 0.900 0.500 CB 1.258 21 residues pruned to eliminate duplicates Z: 21 8.437 1.874 0.173 0.357 0.800 0.450 CB 1.253 21 residues pruned to eliminate duplicates Z: 18 8.815 1.972 0.042 0.345 0.941 0.529 CB 1.309 18 residues pruned to eliminate duplicates Z: 21 10.824 1.883 0.165 0.387 0.950 0.500 CB 1.310 21 residues pruned to eliminate duplicates Z: 19 8.611 1.885 0.139 0.363 0.889 0.444 CB 1.233 19 residues pruned to eliminate duplicates Z: 20 8.525 1.910 0.082 0.367 0.789 0.474 CB 1.383 20 residues pruned to eliminate duplicates Z: 9 4.504 1.767 0.077 0.377 0.875 0.375 CB 1.090 9 residues pruned to eliminate duplicates Z: 21 8.622 1.924 0.052 0.400 0.850 0.450 CB 1.245 21 residues pruned to eliminate duplicates Z: 7 9.416 1.954 0.423 0.444 1.000 0.333 CB 1.465 8 residues pruned to eliminate duplicates Z: 10 3.652 1.248 0.199 0.500 0.889 0.111 CB 0.915 3 residues pruned to eliminate duplicates Z: 7 7.363 1.812 0.474 0.607 0.833 0.833 CB 1.221 7 residues pruned to eliminate duplicates Z: 15 10.361 1.808 0.269 0.418 0.857 0.786 CA 1.534 15 residues pruned to eliminate duplicates Z: 7 5.686 1.571 0.555 0.533 0.833 0.333 CB 1.103 7 residues pruned to eliminate duplicates Z: 10 15.423 2.140 0.349 0.580 0.889 0.667 CA 1.855 10 residues pruned to eliminate duplicates Z: 7 5.453 1.563 0.121 0.470 1.000 0.500 O 1.309 7 residues pruned to eliminate duplicates Z: 9 6.705 1.875 0.188 0.390 0.750 0.125 N 1.594 11 residues pruned to eliminate duplicates Z: 10 3.124 1.713 0.358 0.162 0.556 0.222 C 1.217 10 residues pruned to eliminate duplicates Z: 11 3.260 1.597 0.315 0.143 0.600 0.200 C 1.272 11 residues pruned to eliminate duplicates Z: 11 8.073 1.924 0.356 0.411 0.800 0.400 CB 1.343 9 residues pruned to eliminate duplicates Z: 6 6.745 1.892 0.301 0.311 1.000 0.400 CB 1.511 6 residues pruned to eliminate duplicates Z: 15 10.960 2.040 0.174 0.470 0.786 0.500 N 1.604 15 residues pruned to eliminate duplicates Z: 10 13.027 2.166 0.373 0.522 0.889 0.667 N 1.606 10 residues pruned to eliminate duplicates Z: 13 11.769 2.068 0.289 0.457 0.833 0.583 N 1.598 13 residues pruned to eliminate duplicates Z: 15 7.990 2.011 0.048 0.443 0.714 0.429 CA 1.504 15 residues pruned to eliminate duplicates Z: 10 13.876 2.128 0.763 0.369 0.889 0.444 CA 1.596 10 residues pruned to eliminate duplicates Z: 13 9.245 1.867 0.681 0.329 0.833 0.500 CA 1.230 11 residues pruned to eliminate duplicates Z: 6 4.053 1.582 0.444 0.393 1.000 0.400 CA 0.888 6 residues pruned to eliminate duplicates Z: 16 10.024 1.870 0.453 0.309 0.867 0.400 CB 1.358 14 residues pruned to eliminate duplicates Z: 6 4.976 1.545 0.936 0.270 0.800 0.400 C 1.208 6 residues pruned to eliminate duplicates Z: 13 9.863 1.908 0.621 0.265 0.833 0.667 CA 1.445 13 residues pruned to eliminate duplicates Z: 6 2.683 1.660 0.793 0.173 0.800 0.800 CA 0.748 6 residues pruned to eliminate duplicates Z: 6 2.496 1.654 0.394 0.430 0.800 0.600 CA 0.651 6 residues pruned to eliminate duplicates Z: 14 10.166 1.788 0.436 0.457 1.000 0.615 CA 1.147 14 residues pruned to eliminate duplicates Z: 19 14.103 1.969 0.401 0.390 0.889 0.444 CA 1.523 18 residues pruned to eliminate duplicates Z: 21 10.951 1.830 0.281 0.392 0.950 0.350 CB 1.232 21 residues pruned to eliminate duplicates Z: 9 11.276 2.010 0.356 0.437 1.000 0.500 CB 1.561 9 residues pruned to eliminate duplicates Z: 16 10.001 2.006 0.364 0.390 0.733 0.333 CB 1.445 16 residues pruned to eliminate duplicates Z: 14 10.882 1.930 0.361 0.499 0.846 0.385 CB 1.360 14 residues pruned to eliminate duplicates Z: 16 9.937 1.936 0.407 0.316 0.800 0.400 CB 1.443 16 residues pruned to eliminate duplicates Z: 13 9.914 1.924 0.374 0.374 0.833 0.417 CB 1.487 13 residues pruned to eliminate duplicates Z: 20 10.353 1.913 0.180 0.360 0.842 0.474 CB 1.454 20 residues pruned to eliminate duplicates Z: 16 8.595 1.777 0.243 0.418 0.800 0.600 CB 1.369 16 residues pruned to eliminate duplicates Z: 17 11.127 1.921 0.273 0.328 0.938 0.500 CB 1.464 17 residues pruned to eliminate duplicates Z: 17 12.276 1.957 0.251 0.445 0.875 0.562 CA 1.516 17 residues pruned to eliminate duplicates Z: 10 5.468 1.901 0.162 0.229 0.889 0.333 CA 1.274 10 residues pruned to eliminate duplicates Z: 7 4.675 1.771 0.108 0.354 1.000 0.333 CA 1.139 7 residues pruned to eliminate duplicates Z: 17 9.992 1.940 0.273 0.331 0.875 0.438 CB 1.390 17 residues pruned to eliminate duplicates Z: 6 2.746 1.681 0.494 0.263 0.600 0.200 CB 1.069 6 residues pruned to eliminate duplicates Z: 7 2.327 1.714 0.734 0.220 0.667 0.500 CB 0.666 7 residues pruned to eliminate duplicates Z: 28 6.690 1.588 0.265 0.362 0.926 0.481 CB 0.802 16 residues pruned to eliminate duplicates Z: 8 3.832 1.433 0.038 0.453 1.000 0.429 N 1.022 8 residues pruned to eliminate duplicates Z: 6 4.559 1.620 0.464 0.338 1.000 0.400 CB 1.026 6 residues pruned to eliminate duplicates Z: 24 14.085 2.000 0.317 0.422 0.913 0.609 CB 1.324 24 residues pruned to eliminate duplicates Z: 17 16.739 2.086 0.500 0.523 0.938 0.562 CB 1.394 17 residues pruned to eliminate duplicates Z: 16 11.371 1.936 0.333 0.344 0.933 0.400 CB 1.444 16 residues pruned to eliminate duplicates Z: 21 16.187 2.010 0.464 0.480 0.950 0.500 CA 1.322 21 residues pruned to eliminate duplicates Z: 42 26.245 2.039 0.549 0.587 0.951 0.585 CA 1.255 42 residues pruned to eliminate duplicates Z: 17 16.970 2.050 0.678 0.464 0.875 0.625 CB 1.463 17 residues pruned to eliminate duplicates Z: 22 16.909 1.993 0.486 0.472 0.905 0.667 CB 1.416 22 residues pruned to eliminate duplicates Z: 32 25.516 2.078 0.646 0.673 0.935 0.710 CA 1.221 32 residues pruned to eliminate duplicates Z: 21 15.266 2.031 0.381 0.451 1.000 0.700 CB 1.280 21 residues pruned to eliminate duplicates Z: 19 17.083 2.076 0.542 0.440 0.944 0.611 CB 1.418 19 residues pruned to eliminate duplicates Z: 16 10.371 1.943 0.553 0.395 0.867 0.533 CA 1.145 16 residues pruned to eliminate duplicates Z: 37 29.980 2.081 0.575 0.651 0.972 0.778 CA 1.362 37 residues pruned to eliminate duplicates Z: 24 15.617 2.056 0.347 0.444 0.913 0.565 CA 1.364 24 residues pruned to eliminate duplicates Z: 20 20.274 2.007 0.724 0.755 0.895 0.526 CA 1.198 20 residues pruned to eliminate duplicates Z: 36 31.834 2.071 0.745 0.631 0.971 0.543 CA 1.356 36 residues pruned to eliminate duplicates Z: 20 18.451 2.022 0.775 0.746 0.842 0.579 CA 1.124 20 residues pruned to eliminate duplicates Z: 8 4.194 1.932 0.337 0.349 0.857 0.000 CA 0.843 8 residues pruned to eliminate duplicates Z: 65 27.606 2.022 0.398 0.511 0.859 0.500 CA 1.404 75 residues pruned to eliminate duplicates Z: 37 26.222 2.041 0.661 0.627 0.917 0.417 CA 1.248 37 residues pruned to eliminate duplicates Z: 20 19.295 2.138 0.696 0.750 0.789 0.421 CA 1.237 20 residues pruned to eliminate duplicates Z: 19 21.350 2.092 0.766 0.739 0.944 0.556 CA 1.164 19 residues pruned to eliminate duplicates Z: 31 26.106 2.089 0.611 0.571 0.967 0.467 CA 1.368 31 residues pruned to eliminate duplicates Z: 20 21.472 2.123 0.802 0.818 0.842 0.474 CA 1.160 20 residues pruned to eliminate duplicates Z: 13 18.735 2.125 0.998 0.817 0.917 0.583 CA 1.056 13 residues pruned to eliminate duplicates Z: 62 27.833 1.952 0.428 0.543 0.918 0.475 CB 1.335 62 residues pruned to eliminate duplicates Z: 20 21.434 2.109 0.717 0.804 0.842 0.579 CA 1.237 20 residues pruned to eliminate duplicates Z: 34 25.216 2.042 0.540 0.651 0.909 0.545 CA 1.334 34 residues pruned to eliminate duplicates Z: 27 20.103 1.991 0.679 0.614 0.846 0.500 CA 1.251 27 residues pruned to eliminate duplicates Z: 14 19.052 2.107 0.820 0.768 0.846 0.385 CA 1.284 14 residues pruned to eliminate duplicates Z: 39 25.875 2.059 0.648 0.648 0.789 0.263 CB 1.364 39 residues pruned to eliminate duplicates Z: 51 33.541 2.092 0.551 0.594 0.960 0.400 CA 1.392 51 residues pruned to eliminate duplicates Z: 57 30.540 2.025 0.533 0.544 0.929 0.482 CB 1.356 57 residues pruned to eliminate duplicates Z: 37 29.016 2.081 0.510 0.661 0.917 0.500 CB 1.445 37 residues pruned to eliminate duplicates Z: 37 22.212 2.059 0.542 0.617 0.750 0.306 CA 1.392 37 residues pruned to eliminate duplicates Z: 40 29.029 2.052 0.541 0.654 0.949 0.462 CA 1.343 40 residues pruned to eliminate duplicates Z: 15 11.254 2.071 0.307 0.533 0.786 0.429 CB 1.369 15 residues pruned to eliminate duplicates Z: 19 14.491 2.000 0.478 0.527 0.944 0.556 CB 1.192 19 residues pruned to eliminate duplicates Z: 37 24.649 2.052 0.508 0.643 0.861 0.361 CA 1.348 37 residues pruned to eliminate duplicates Z: 16 16.795 2.103 0.309 0.620 1.000 0.400 CB 1.406 16 residues pruned to eliminate duplicates Z: 16 16.075 2.031 0.251 0.642 1.000 0.533 CB 1.430 16 residues pruned to eliminate duplicates Z: 19 15.485 1.996 0.428 0.573 0.944 0.444 CB 1.263 19 residues pruned to eliminate duplicates Z: 41 25.043 2.027 0.403 0.498 0.975 0.475 CB 1.431 41 residues pruned to eliminate duplicates Z: 17 16.489 2.007 0.367 0.576 1.000 0.438 CB 1.397 17 residues pruned to eliminate duplicates Z: 19 13.644 1.967 0.228 0.603 0.889 0.389 CA 1.358 19 residues pruned to eliminate duplicates Z: 19 14.353 2.012 0.170 0.615 0.944 0.611 CA 1.365 19 residues pruned to eliminate duplicates Z: 16 17.715 2.092 0.523 0.601 0.933 0.333 CB 1.397 16 residues pruned to eliminate duplicates Z: 11 5.761 1.914 0.344 0.304 0.800 0.300 CB 1.101 11 residues pruned to eliminate duplicates Z: 17 13.351 2.113 0.265 0.606 0.812 0.250 CB 1.390 17 residues pruned to eliminate duplicates Z: 21 12.066 1.935 0.366 0.491 0.850 0.400 CB 1.212 21 residues pruned to eliminate duplicates Z: 6 6.104 1.924 0.381 0.339 0.800 0.400 CB 1.530 6 residues pruned to eliminate duplicates Z: 6 5.937 1.933 0.448 0.331 0.800 0.200 CB 1.426 6 residues pruned to eliminate duplicates Z: 14 14.499 1.896 0.430 0.611 0.923 0.615 CA 1.446 Z: 8 12.523 1.947 0.141 0.850 1.000 1.000 CB 1.577 9 residues pruned to eliminate duplicates Z: 7 9.727 1.845 0.274 0.790 1.000 1.000 CA 1.309 7 residues pruned to eliminate duplicates Z: 7 10.949 1.864 0.622 0.695 1.000 0.333 CA 1.237 7 residues pruned to eliminate duplicates Z: 8 12.077 1.966 0.330 0.732 1.000 0.429 CA 1.417 8 residues pruned to eliminate duplicates Z: 8 14.020 1.875 0.783 0.553 1.000 0.286 CA 1.505 8 residues pruned to eliminate duplicates Z: 6 4.839 1.735 0.833 0.418 0.800 0.400 CA 0.926 6 residues pruned to eliminate duplicates Z: 18 14.447 1.968 0.784 0.426 0.706 0.471 CB 1.527 31 residues pruned to eliminate duplicates Z: 34 23.388 2.062 0.536 0.387 0.939 0.455 CA 1.542 34 residues pruned to eliminate duplicates Z: 53 33.043 2.013 0.599 0.537 0.923 0.596 CA 1.487 53 residues pruned to eliminate duplicates Z: 33 22.141 2.112 0.514 0.397 0.844 0.531 CA 1.617 33 residues pruned to eliminate duplicates Z: 47 32.410 2.090 0.399 0.577 0.913 0.652 CA 1.662 47 residues pruned to eliminate duplicates Z: 35 27.721 2.036 0.528 0.532 0.941 0.618 CA 1.573 35 residues pruned to eliminate duplicates Z: 21 20.652 2.136 0.599 0.406 0.900 0.600 CA 1.658 21 residues pruned to eliminate duplicates Z: 11 5.598 2.013 0.626 0.251 0.500 0.400 CA 1.440 11 residues pruned to eliminate duplicates Z: 47 32.745 2.012 0.658 0.499 0.913 0.478 CA 1.587 47 residues pruned to eliminate duplicates Z: 22 11.590 2.004 0.353 0.391 0.857 0.476 CA 1.222 22 residues pruned to eliminate duplicates Z: 33 29.579 2.091 0.452 0.698 0.969 0.812 CA 1.484 33 residues pruned to eliminate duplicates Z: 18 11.746 2.084 0.243 0.413 0.882 0.647 CA 1.365 18 residues pruned to eliminate duplicates Z: 23 14.558 2.028 0.448 0.386 0.864 0.636 CA 1.380 23 residues pruned to eliminate duplicates Z: 58 39.473 2.037 0.547 0.560 0.965 0.649 CA 1.622 58 residues pruned to eliminate duplicates Z: 38 29.468 2.051 0.536 0.618 0.892 0.649 CA 1.542 38 residues pruned to eliminate duplicates Z: 44 25.360 1.950 0.369 0.568 0.953 0.581 CA 1.422 41 residues pruned to eliminate duplicates Z: 6 4.602 1.701 0.142 0.398 1.000 0.600 CA 1.181 6 residues pruned to eliminate duplicates Z: 18 13.890 2.039 0.389 0.456 0.941 0.706 CA 1.322 18 residues pruned to eliminate duplicates Z: 26 25.005 2.053 0.444 0.708 1.000 0.760 CA 1.397 26 residues pruned to eliminate duplicates Z: 36 24.605 2.007 0.647 0.453 0.857 0.543 CA 1.541 36 residues pruned to eliminate duplicates Z: 34 26.586 2.063 0.402 0.688 0.939 0.667 CA 1.434 34 residues pruned to eliminate duplicates Z: 37 26.341 2.058 0.433 0.599 0.944 0.667 CA 1.435 37 residues pruned to eliminate duplicates Z: 45 34.805 2.067 0.661 0.541 0.932 0.568 CA 1.575 45 residues pruned to eliminate duplicates Z: 39 25.267 2.029 0.529 0.572 0.868 0.553 CA 1.419 39 residues pruned to eliminate duplicates Z: 44 37.297 2.136 0.613 0.596 0.907 0.605 CA 1.662 44 residues pruned to eliminate duplicates Z: 28 30.178 2.132 0.520 0.690 0.963 0.704 CA 1.565 28 residues pruned to eliminate duplicates Z: 33 29.873 2.036 0.659 0.635 0.969 0.688 CA 1.422 33 residues pruned to eliminate duplicates Z: 41 32.781 2.017 0.593 0.630 0.925 0.675 CA 1.543 44 residues pruned to eliminate duplicates Z: 22 27.892 2.058 0.561 0.880 0.905 0.571 CA 1.517 22 residues pruned to eliminate duplicates Z: 21 26.634 1.917 0.686 0.670 1.000 0.700 CA 1.575 21 residues pruned to eliminate duplicates Z: 20 31.700 2.103 0.727 0.886 0.895 0.684 CA 1.615 20 residues pruned to eliminate duplicates Z: 57 36.064 2.004 0.774 0.524 0.821 0.429 CA 1.612 57 residues pruned to eliminate duplicates Z: 41 33.596 2.024 0.589 0.626 0.900 0.525 CA 1.629 40 residues pruned to eliminate duplicates Z: 13 22.697 1.872 0.961 0.824 0.917 0.500 N 1.470 13 residues pruned to eliminate duplicates Z: 19 12.067 1.856 0.414 0.408 0.833 0.333 CA 1.432 19 residues pruned to eliminate duplicates Z: 43 36.038 2.052 0.712 0.605 0.881 0.500 CA 1.626 43 residues pruned to eliminate duplicates Z: 53 35.587 2.081 0.608 0.568 0.846 0.365 CA 1.632 53 residues pruned to eliminate duplicates Z: 21 22.934 1.962 0.763 0.617 0.850 0.350 CA 1.562 21 residues pruned to eliminate duplicates Z: 10 9.430 1.737 0.908 0.798 0.667 0.444 CA 1.096 10 residues pruned to eliminate duplicates Z: 21 20.746 1.930 0.685 0.589 0.800 0.350 CB 1.638 21 residues pruned to eliminate duplicates Z: 22 21.780 2.040 0.411 0.803 0.810 0.286 CB 1.564 22 residues pruned to eliminate duplicates Z: 42 30.314 1.999 0.644 0.613 0.854 0.366 CA 1.517 42 residues pruned to eliminate duplicates Z: 20 11.550 1.819 0.503 0.371 0.737 0.211 CA 1.511 20 residues pruned to eliminate duplicates Z: 9 9.636 1.819 0.702 0.349 0.875 0.375 C 1.480 9 residues pruned to eliminate duplicates Z: 18 12.286 1.824 0.605 0.409 0.765 0.294 CA 1.463 18 residues pruned to eliminate duplicates Z: 10 6.652 1.677 0.409 0.226 1.000 0.111 CB 1.292 10 residues pruned to eliminate duplicates Z: 25 18.356 1.846 0.600 0.533 0.833 0.333 CB 1.473 22 residues pruned to eliminate duplicates Z: 6 4.227 1.806 0.316 0.375 0.800 0.200 CA 1.136 6 residues pruned to eliminate duplicates Z: 43 21.246 2.098 0.370 0.354 0.881 0.452 CB 1.515 43 residues pruned to eliminate duplicates Z: 6 5.417 1.781 0.358 0.508 0.800 0.400 CB 1.242 6 residues pruned to eliminate duplicates Z: 13 10.045 1.941 0.340 0.469 0.833 0.500 CA 1.380 13 residues pruned to eliminate duplicates Z: 34 25.096 2.166 0.515 0.423 0.909 0.515 CB 1.587 40 residues pruned to eliminate duplicates Z: 10 5.251 1.346 0.683 0.382 0.889 0.333 CB 0.985 10 residues pruned to eliminate duplicates Z: 59 25.048 2.123 0.449 0.383 0.828 0.328 CB 1.463 59 residues pruned to eliminate duplicates Z: 16 12.180 2.069 0.330 0.433 0.867 0.400 CA 1.414 16 residues pruned to eliminate duplicates Z: 36 19.579 2.100 0.376 0.368 0.886 0.400 CB 1.489 36 residues pruned to eliminate duplicates Z: 59 24.522 2.159 0.380 0.395 0.810 0.414 CB 1.490 59 residues pruned to eliminate duplicates Z: 44 20.987 2.141 0.362 0.383 0.860 0.395 CB 1.445 44 residues pruned to eliminate duplicates Z: 23 17.366 2.230 0.341 0.367 0.864 0.455 CB 1.654 23 residues pruned to eliminate duplicates Z: 31 18.956 2.150 0.518 0.324 0.833 0.433 CA 1.545 31 residues pruned to eliminate duplicates Z: 23 18.015 2.259 0.324 0.280 0.955 0.455 CA 1.725 23 residues pruned to eliminate duplicates Z: 48 23.685 2.139 0.420 0.360 0.830 0.383 CA 1.595 48 residues pruned to eliminate duplicates Z: 80 38.770 2.196 0.552 0.440 0.861 0.443 CB 1.582 58 residues pruned to eliminate duplicates Z: 6 2.299 1.769 0.100 0.321 0.800 0.400 CA 0.805 6 residues pruned to eliminate duplicates Z: 23 16.376 2.227 0.339 0.261 0.955 0.364 CA 1.612 23 residues pruned to eliminate duplicates Z: 23 16.347 2.244 0.304 0.298 0.909 0.500 CA 1.643 23 residues pruned to eliminate duplicates Z: 27 15.472 2.212 0.224 0.308 0.885 0.462 CA 1.568 27 residues pruned to eliminate duplicates Z: 34 18.190 2.115 0.428 0.320 0.848 0.424 CA 1.508 34 residues pruned to eliminate duplicates Z: 37 22.067 2.137 0.393 0.319 0.944 0.472 CA 1.597 37 residues pruned to eliminate duplicates Z: 27 15.602 2.157 0.302 0.286 0.885 0.462 CB 1.566 27 residues pruned to eliminate duplicates Z: 57 22.560 2.130 0.362 0.286 0.839 0.411 CB 1.575 57 residues pruned to eliminate duplicates Z: 32 16.800 2.124 0.312 0.329 0.839 0.516 CA 1.558 32 residues pruned to eliminate duplicates Z: 27 15.721 2.247 0.276 0.301 0.885 0.462 CA 1.517 27 residues pruned to eliminate duplicates Z: 48 21.998 2.166 0.339 0.354 0.809 0.447 CB 1.602 48 residues pruned to eliminate duplicates Z: 54 21.216 2.129 0.370 0.289 0.811 0.321 CB 1.561 54 residues pruned to eliminate duplicates Z: 34 19.536 2.231 0.319 0.309 0.879 0.545 CA 1.625 34 residues pruned to eliminate duplicates Z: 29 13.792 2.202 0.250 0.297 0.786 0.393 CA 1.512 29 residues pruned to eliminate duplicates Z: 30 15.570 2.181 0.292 0.322 0.793 0.379 CA 1.573 30 residues pruned to eliminate duplicates Z: 7 4.241 1.958 0.100 0.354 0.833 0.667 CA 1.130 7 residues pruned to eliminate duplicates Z: 46 21.826 2.150 0.420 0.323 0.822 0.467 CA 1.576 46 residues pruned to eliminate duplicates Z: 51 21.563 2.160 0.342 0.299 0.820 0.360 CB 1.606 51 residues pruned to eliminate duplicates Z: 49 22.418 2.164 0.316 0.323 0.854 0.458 CA 1.616 49 residues pruned to eliminate duplicates Z: 21 14.841 2.062 0.536 0.307 0.850 0.400 CB 1.527 21 residues pruned to eliminate duplicates Z: 51 21.812 2.155 0.270 0.356 0.840 0.460 CB 1.567 51 residues pruned to eliminate duplicates Z: 33 16.211 2.106 0.289 0.366 0.812 0.469 CB 1.500 33 residues pruned to eliminate duplicates Z: 28 16.715 2.101 0.479 0.338 0.852 0.296 CB 1.450 28 residues pruned to eliminate duplicates Z: 55 24.209 2.164 0.366 0.308 0.852 0.389 CB 1.620 55 residues pruned to eliminate duplicates Z: 29 15.734 2.093 0.358 0.369 0.857 0.536 CB 1.405 29 residues pruned to eliminate duplicates Z: 61 22.380 2.086 0.349 0.325 0.817 0.317 CB 1.524 61 residues pruned to eliminate duplicates Z: 51 21.308 2.168 0.261 0.304 0.860 0.380 CB 1.594 51 residues pruned to eliminate duplicates Z: 41 22.141 2.149 0.330 0.391 0.850 0.475 CB 1.618 41 residues pruned to eliminate duplicates Z: 43 24.476 2.201 0.500 0.358 0.810 0.429 CA 1.647 43 residues pruned to eliminate duplicates Z: 35 16.539 2.067 0.211 0.360 0.853 0.412 CB 1.545 35 residues pruned to eliminate duplicates Z: 34 16.178 2.084 0.261 0.297 0.848 0.333 CA 1.585 34 residues pruned to eliminate duplicates Z: 57 22.142 2.142 0.309 0.314 0.804 0.446 CB 1.614 57 residues pruned to eliminate duplicates Z: 22 10.516 2.044 0.305 0.327 0.714 0.429 CB 1.457 22 residues pruned to eliminate duplicates Z: 19 7.380 1.905 0.282 0.181 0.778 0.278 CB 1.345 19 residues pruned to eliminate duplicates Z: 51 22.985 2.174 0.377 0.317 0.860 0.400 CB 1.546 51 residues pruned to eliminate duplicates Z: 15 6.437 1.918 0.336 0.345 0.643 0.429 CB 1.237 15 residues pruned to eliminate duplicates Z: 16 5.153 1.958 0.178 0.197 0.733 0.200 CB 1.129 16 residues pruned to eliminate duplicates Z: 21 9.173 2.057 0.241 0.262 0.700 0.250 CB 1.506 21 residues pruned to eliminate duplicates Z: 55 19.020 2.149 0.221 0.309 0.815 0.389 CB 1.497 55 residues pruned to eliminate duplicates Z: 25 10.477 1.984 0.234 0.304 0.750 0.292 CB 1.449 25 residues pruned to eliminate duplicates Z: 14 6.825 1.871 0.317 0.252 0.769 0.538 CB 1.329 14 residues pruned to eliminate duplicates Z: 12 5.831 1.935 0.308 0.321 0.727 0.273 CB 1.163 12 residues pruned to eliminate duplicates Z: 7 2.089 1.847 0.028 0.143 0.500 0.000 CA 1.398 7 residues pruned to eliminate duplicates Z: 9 3.579 2.175 0.339 0.192 0.625 0.250 CB 1.004 9 residues pruned to eliminate duplicates Z: 42 40.244 2.286 0.374 0.694 1.000 0.634 CB 1.676 42 residues pruned to eliminate duplicates Z: 42 40.327 2.265 0.367 0.701 1.000 0.683 CA 1.694 42 residues pruned to eliminate duplicates Z: 46 35.155 2.160 0.385 0.695 0.956 0.644 CB 1.534 46 residues pruned to eliminate duplicates Z: 6 9.265 2.084 0.908 0.634 0.800 0.800 CA 1.149 6 residues pruned to eliminate duplicates Z: 51 41.553 2.276 0.421 0.649 0.980 0.640 CB 1.613 51 residues pruned to eliminate duplicates Z: 43 36.609 2.224 0.388 0.685 0.976 0.643 CB 1.581 43 residues pruned to eliminate duplicates Z: 42 38.031 2.253 0.388 0.708 0.976 0.732 CB 1.611 42 residues pruned to eliminate duplicates Z: 52 38.610 2.256 0.433 0.630 0.961 0.608 CB 1.540 36 residues pruned to eliminate duplicates Z: 22 34.209 2.255 0.451 0.861 1.000 0.810 CB 1.676 22 residues pruned to eliminate duplicates Z: 50 38.237 2.235 0.481 0.681 0.918 0.510 CB 1.521 50 residues pruned to eliminate duplicates Z: 21 28.677 2.155 0.359 0.824 0.950 0.750 CB 1.740 21 residues pruned to eliminate duplicates Z: 41 39.040 2.255 0.442 0.710 1.000 0.675 CB 1.569 41 residues pruned to eliminate duplicates Z: 41 39.253 2.263 0.505 0.738 0.950 0.650 CB 1.549 41 residues pruned to eliminate duplicates Z: 52 42.321 2.258 0.482 0.627 0.980 0.529 CB 1.603 52 residues pruned to eliminate duplicates Z: 43 40.013 2.250 0.533 0.670 0.976 0.571 CB 1.568 43 residues pruned to eliminate duplicates Z: 43 34.451 2.226 0.446 0.666 0.905 0.619 CB 1.565 43 residues pruned to eliminate duplicates Z: 38 37.625 2.257 0.508 0.678 0.946 0.595 CB 1.631 38 residues pruned to eliminate duplicates Z: 41 42.624 2.298 0.483 0.720 1.000 0.625 CB 1.621 42 residues pruned to eliminate duplicates Z: 21 36.815 2.215 0.795 0.832 0.950 0.400 CB 1.636 21 residues pruned to eliminate duplicates Z: 71 46.249 2.212 0.533 0.615 0.929 0.443 CB 1.574 71 residues pruned to eliminate duplicates Z: 14 21.220 2.118 0.798 0.849 0.923 0.615 CB 1.241 14 residues pruned to eliminate duplicates Z: 38 31.884 2.290 0.578 0.619 0.865 0.649 CB 1.499 38 residues pruned to eliminate duplicates Z: 53 40.517 2.249 0.501 0.634 0.923 0.423 CB 1.589 53 residues pruned to eliminate duplicates Z: 41 33.737 2.185 0.590 0.619 0.900 0.500 CB 1.524 41 residues pruned to eliminate duplicates Z: 36 33.451 2.258 0.574 0.689 0.857 0.457 CB 1.561 36 residues pruned to eliminate duplicates Z: 54 38.917 2.156 0.502 0.638 0.906 0.340 CB 1.602 54 residues pruned to eliminate duplicates Z: 47 30.246 2.197 0.474 0.556 0.891 0.457 CB 1.463 47 residues pruned to eliminate duplicates Z: 51 43.309 2.274 0.556 0.637 0.940 0.460 CB 1.619 51 residues pruned to eliminate duplicates Z: 26 21.966 2.201 0.342 0.561 0.960 0.560 CB 1.459 26 residues pruned to eliminate duplicates Z: 37 29.887 2.233 0.585 0.572 0.833 0.444 CB 1.574 37 residues pruned to eliminate duplicates Z: 23 21.948 2.236 0.430 0.556 0.955 0.500 CB 1.452 23 residues pruned to eliminate duplicates Z: 56 37.571 2.215 0.557 0.595 0.909 0.582 CB 1.476 56 residues pruned to eliminate duplicates Z: 50 34.890 2.241 0.469 0.591 0.918 0.449 CB 1.510 50 residues pruned to eliminate duplicates Z: 42 41.531 2.263 0.532 0.722 0.951 0.659 CB 1.608 42 residues pruned to eliminate duplicates Z: 18 13.858 2.163 0.241 0.515 0.824 0.529 CB 1.497 18 residues pruned to eliminate duplicates Z: 36 39.117 2.260 0.690 0.710 0.914 0.457 CB 1.565 36 residues pruned to eliminate duplicates Z: 52 41.041 2.267 0.455 0.629 0.961 0.529 CB 1.606 52 residues pruned to eliminate duplicates Z: 17 19.086 2.242 0.325 0.567 0.938 0.562 CB 1.605 17 residues pruned to eliminate duplicates Z: 17 16.925 2.224 0.168 0.574 0.938 0.375 CB 1.617 17 residues pruned to eliminate duplicates Z: 43 42.683 2.222 0.646 0.692 0.976 0.500 CB 1.548 43 residues pruned to eliminate duplicates Z: 54 41.513 2.234 0.531 0.616 0.962 0.472 CB 1.553 54 residues pruned to eliminate duplicates Z: 47 28.197 2.165 0.433 0.529 0.891 0.522 CB 1.462 47 residues pruned to eliminate duplicates Z: 27 21.183 2.233 0.421 0.475 0.885 0.346 CB 1.518 27 residues pruned to eliminate duplicates Z: 52 46.219 2.264 0.689 0.621 0.922 0.529 CB 1.638 51 residues pruned to eliminate duplicates Z: 6 6.269 1.971 0.995 0.307 0.600 0.600 CA 1.473 6 residues pruned to eliminate duplicates Z: 44 34.513 2.229 0.561 0.519 0.953 0.395 CB 1.557 44 residues pruned to eliminate duplicates Z: 51 43.691 2.289 0.559 0.639 0.940 0.480 CB 1.617 51 residues pruned to eliminate duplicates Z: 53 44.569 2.254 0.680 0.610 0.923 0.385 CB 1.594 53 residues pruned to eliminate duplicates Z: 10 10.007 2.199 0.623 0.334 0.889 0.333 CA 1.261 10 residues pruned to eliminate duplicates Z: 53 45.089 2.273 0.659 0.620 0.923 0.519 CB 1.604 53 residues pruned to eliminate duplicates Z: 9 8.474 2.114 0.384 0.370 0.875 0.500 CA 1.345 9 residues pruned to eliminate duplicates Z: 28 16.633 1.969 0.462 0.440 0.926 0.556 CB 1.277 28 residues pruned to eliminate duplicates Z: 15 9.838 2.178 0.339 0.240 0.929 0.357 CB 1.311 15 residues pruned to eliminate duplicates Z: 9 3.769 1.997 -0.157 0.259 0.875 0.375 CA 1.192 9 residues pruned to eliminate duplicates Z: 11 15.416 2.087 0.663 0.611 0.900 0.800 CA 1.405 11 residues pruned to eliminate duplicates Z: 16 16.800 2.047 0.567 0.595 1.000 0.600 CB 1.235 16 residues pruned to eliminate duplicates Z: 9 14.771 2.191 0.881 0.585 0.875 0.625 CB 1.334 9 residues pruned to eliminate duplicates Z: 11 13.964 2.069 0.857 0.566 0.900 0.500 CB 1.198 11 residues pruned to eliminate duplicates Z: 9 15.281 2.171 0.756 0.641 0.875 0.625 CB 1.419 9 residues pruned to eliminate duplicates Z: 16 15.938 2.022 0.435 0.533 0.933 0.533 CB 1.471 16 residues pruned to eliminate duplicates Z: 18 30.585 2.061 0.689 0.747 1.000 0.765 CB 1.709 18 residues pruned to eliminate duplicates Z: 11 14.936 2.031 0.237 0.780 1.000 0.800 CA 1.468 11 residues pruned to eliminate duplicates Z: 19 20.829 1.844 0.689 0.570 0.944 0.556 CA 1.560 19 residues pruned to eliminate duplicates Z: 18 25.262 2.054 0.639 0.685 0.941 0.647 CA 1.632 18 residues pruned to eliminate duplicates Z: 19 20.414 1.956 0.636 0.631 0.889 0.500 CB 1.496 19 residues pruned to eliminate duplicates Z: 19 22.492 1.997 0.597 0.707 0.889 0.722 CB 1.549 19 residues pruned to eliminate duplicates Z: 9 9.106 1.802 0.327 0.641 0.875 0.500 CA 1.348 9 residues pruned to eliminate duplicates Z: 11 13.641 1.768 0.464 0.853 1.000 0.600 CA 1.232 11 residues pruned to eliminate duplicates Z: 11 8.216 1.676 0.557 0.649 0.700 0.300 CA 1.238 11 residues pruned to eliminate duplicates Z: 11 7.289 1.649 0.407 0.500 0.800 0.300 CB 1.242 11 residues pruned to eliminate duplicates Z: 37 16.631 2.036 0.421 0.501 0.750 0.556 CB 1.276 37 residues pruned to eliminate duplicates Z: 21 17.007 2.104 0.374 0.647 0.800 0.650 CB 1.433 21 residues pruned to eliminate duplicates Z: 10 10.464 2.016 0.709 0.319 0.889 0.444 CB 1.391 10 residues pruned to eliminate duplicates Z: 18 20.339 2.085 0.595 0.718 0.882 0.588 CB 1.380 18 residues pruned to eliminate duplicates Z: 37 16.274 2.054 0.333 0.502 0.778 0.444 CB 1.270 37 residues pruned to eliminate duplicates Z: 21 18.392 2.095 0.404 0.607 0.900 0.450 CB 1.404 21 residues pruned to eliminate duplicates Z: 35 22.420 2.108 0.394 0.528 0.882 0.471 CB 1.441 35 residues pruned to eliminate duplicates Z: 19 26.062 2.249 0.575 0.736 1.000 0.500 CB 1.403 20 residues pruned to eliminate duplicates Z: 19 21.198 2.100 0.600 0.905 0.944 0.556 CB 1.121 19 residues pruned to eliminate duplicates Z: 20 22.988 2.264 0.466 0.734 0.842 0.632 CB 1.528 20 residues pruned to eliminate duplicates Z: 14 28.002 2.263 0.755 0.888 1.000 0.692 CB 1.409 18 residues pruned to eliminate duplicates Z: 15 18.523 2.127 0.631 0.842 0.786 0.357 CB 1.353 15 residues pruned to eliminate duplicates Z: 18 25.783 2.232 0.724 0.733 0.941 0.471 CB 1.401 14 residues pruned to eliminate duplicates Z: 19 24.719 2.114 0.546 0.901 1.000 0.611 CA 1.272 19 residues pruned to eliminate duplicates Z: 21 23.070 2.162 0.469 0.773 0.950 0.350 CB 1.343 21 residues pruned to eliminate duplicates Z: 19 19.029 2.077 0.741 0.765 0.778 0.333 CB 1.261 19 residues pruned to eliminate duplicates Z: 22 23.194 2.145 0.613 0.682 0.905 0.286 CB 1.368 21 residues pruned to eliminate duplicates Z: 20 30.326 2.214 0.850 0.875 0.895 0.526 CB 1.380 32 residues pruned to eliminate duplicates Z: 10 12.445 1.887 0.983 0.877 0.778 0.444 CB 1.036 10 residues pruned to eliminate duplicates Z: 28 22.231 2.006 0.686 0.661 0.852 0.333 CB 1.279 25 residues pruned to eliminate duplicates Z: 26 12.337 1.963 0.574 0.454 0.720 0.320 CA 1.162 27 residues pruned to eliminate duplicates Z: 21 29.375 2.128 0.909 0.834 0.900 0.450 CA 1.346 21 residues pruned to eliminate duplicates Z: 33 17.503 2.021 0.592 0.410 0.719 0.344 CB 1.471 24 residues pruned to eliminate duplicates Z: 23 23.346 2.094 0.810 0.760 0.864 0.318 CA 1.207 23 residues pruned to eliminate duplicates Z: 21 13.069 1.910 0.634 0.397 0.800 0.450 CB 1.305 21 residues pruned to eliminate duplicates Z: 6 3.102 1.796 0.034 0.429 0.800 0.000 CB 1.005 6 residues pruned to eliminate duplicates Z: 6 5.125 1.401 0.621 0.604 0.800 0.400 CB 1.142 6 residues pruned to eliminate duplicates Z: 22 11.149 1.928 0.419 0.408 0.857 0.476 CB 1.142 31 residues pruned to eliminate duplicates Z: 6 3.728 1.604 0.197 0.465 1.000 0.800 CB 0.900 6 residues pruned to eliminate duplicates Z: 15 10.697 1.850 0.587 0.508 0.857 0.571 CB 1.127 15 residues pruned to eliminate duplicates Z: 15 12.367 1.937 0.483 0.540 0.857 0.643 CB 1.290 15 residues pruned to eliminate duplicates Z: 9 9.399 1.958 0.530 0.506 0.750 0.500 CA 1.470 9 residues pruned to eliminate duplicates Z: 12 8.223 1.755 0.774 0.371 0.909 0.364 CB 1.006 10 residues pruned to eliminate duplicates Z: 7 10.960 1.811 0.453 0.759 1.000 0.833 CA 1.351 7 residues pruned to eliminate duplicates Z: 24 11.474 1.820 0.283 0.432 0.826 0.348 CB 1.331 24 residues pruned to eliminate duplicates Z: 11 10.432 1.832 0.509 0.527 1.000 0.400 CA 1.163 12 residues pruned to eliminate duplicates Z: 6 6.389 1.703 0.574 0.570 0.800 0.400 CA 1.245 6 residues pruned to eliminate duplicates Z: 7 9.888 1.812 0.356 0.711 1.000 0.500 CA 1.356 7 residues pruned to eliminate duplicates Z: 6 4.173 1.735 0.585 0.232 1.000 0.400 N 0.927 6 residues pruned to eliminate duplicates Z: 22 12.419 1.965 0.301 0.360 0.905 0.476 CB 1.362 22 residues pruned to eliminate duplicates Z: 40 20.297 1.999 0.405 0.386 0.923 0.487 CB 1.415 40 residues pruned to eliminate duplicates Z: 31 13.495 2.001 0.351 0.298 0.800 0.433 CB 1.427 31 residues pruned to eliminate duplicates Z: 29 15.607 2.021 0.359 0.321 0.929 0.357 CB 1.409 29 residues pruned to eliminate duplicates Z: 25 12.543 1.957 0.264 0.353 0.833 0.500 CB 1.457 25 residues pruned to eliminate duplicates Z: 35 18.253 1.949 0.395 0.421 0.882 0.588 CB 1.417 35 residues pruned to eliminate duplicates Z: 28 14.727 2.029 0.389 0.393 0.815 0.481 CB 1.382 28 residues pruned to eliminate duplicates Z: 21 14.568 2.021 0.413 0.335 0.850 0.400 CA 1.606 21 residues pruned to eliminate duplicates Z: 42 22.758 2.012 0.426 0.468 0.854 0.659 CA 1.499 46 residues pruned to eliminate duplicates Z: 32 17.282 1.985 0.535 0.389 0.839 0.516 CA 1.367 33 residues pruned to eliminate duplicates Z: 38 18.513 1.943 0.377 0.392 0.892 0.486 CB 1.429 38 residues pruned to eliminate duplicates Z: 21 16.168 2.078 0.463 0.410 0.900 0.500 CA 1.451 21 residues pruned to eliminate duplicates Z: 27 16.865 2.010 0.543 0.385 0.846 0.462 CA 1.424 27 residues pruned to eliminate duplicates Z: 20 12.304 2.016 0.188 0.432 0.842 0.526 CB 1.503 20 residues pruned to eliminate duplicates Z: 24 12.451 1.975 0.385 0.332 0.826 0.435 CB 1.381 24 residues pruned to eliminate duplicates Z: 30 12.186 1.985 0.372 0.325 0.724 0.483 CB 1.391 30 residues pruned to eliminate duplicates Z: 29 13.978 1.979 0.398 0.421 0.786 0.464 CB 1.319 29 residues pruned to eliminate duplicates Z: 15 8.392 1.944 0.396 0.329 0.714 0.429 CB 1.396 15 residues pruned to eliminate duplicates Z: 31 12.478 1.945 0.316 0.361 0.833 0.533 CB 1.241 31 residues pruned to eliminate duplicates Z: 31 12.849 1.960 0.355 0.360 0.800 0.367 CB 1.284 31 residues pruned to eliminate duplicates Z: 30 13.414 1.975 0.297 0.330 0.897 0.414 CB 1.307 30 residues pruned to eliminate duplicates Z: 13 7.772 2.006 0.517 0.370 0.667 0.333 CB 1.271 13 residues pruned to eliminate duplicates Z: 11 7.767 1.981 0.392 0.347 0.900 0.500 CB 1.169 11 residues pruned to eliminate duplicates Z: 22 19.922 1.991 0.432 0.536 1.000 0.619 CB 1.472 22 residues pruned to eliminate duplicates Z: 31 16.548 1.998 0.375 0.386 0.933 0.433 CB 1.329 31 residues pruned to eliminate duplicates Z: 17 11.486 1.716 0.555 0.603 0.875 0.625 CA 1.115 17 residues pruned to eliminate duplicates Z: 31 14.438 1.981 0.383 0.336 0.900 0.433 CB 1.279 31 residues pruned to eliminate duplicates Z: 23 17.239 1.934 0.297 0.517 1.000 0.591 CB 1.441 23 residues pruned to eliminate duplicates Z: 12 9.106 1.899 0.201 0.650 0.909 0.727 CB 1.151 11 residues pruned to eliminate duplicates Z: 16 12.331 1.890 0.496 0.600 0.933 0.800 CB 1.097 16 residues pruned to eliminate duplicates Z: 10 11.889 2.000 0.278 0.748 1.000 0.778 CA 1.242 11 residues pruned to eliminate duplicates Z: 11 10.123 1.996 0.216 0.664 0.900 0.700 CA 1.259 10 residues pruned to eliminate duplicates Z: 9 13.207 2.082 0.335 0.747 1.000 0.875 CA 1.348 9 residues pruned to eliminate duplicates Z: 15 16.954 2.071 0.438 0.563 0.929 0.714 CA 1.540 15 residues pruned to eliminate duplicates Z: 6 5.734 1.684 0.450 0.449 0.800 0.600 N 1.383 6 residues pruned to eliminate duplicates Z: 14 14.609 2.073 0.390 0.554 0.923 0.692 CA 1.444 14 residues pruned to eliminate duplicates Z: 15 18.942 2.073 0.630 0.661 1.000 0.714 CA 1.290 15 residues pruned to eliminate duplicates Z: 16 11.295 1.926 0.369 0.481 0.933 0.600 CA 1.207 16 residues pruned to eliminate duplicates Z: 11 10.000 1.868 0.868 0.589 0.900 0.800 CA 0.924 11 residues pruned to eliminate duplicates Z: 21 8.778 1.596 0.346 0.427 0.900 0.450 CA 1.095 21 residues pruned to eliminate duplicates Z: 18 9.483 1.824 0.303 0.543 0.882 0.471 CA 1.051 18 residues pruned to eliminate duplicates Z: 21 12.762 1.901 0.347 0.522 0.900 0.650 CA 1.213 21 residues pruned to eliminate duplicates Z: 14 9.249 1.962 0.231 0.559 0.846 0.769 CA 1.185 14 residues pruned to eliminate duplicates Z: 17 13.409 1.996 0.444 0.584 0.938 0.812 CA 1.145 17 residues pruned to eliminate duplicates Z: 8 6.362 1.637 0.702 0.512 0.857 0.429 CB 0.994 8 residues pruned to eliminate duplicates Z: 16 12.339 1.932 0.682 0.565 0.867 0.667 CA 1.062 16 residues pruned to eliminate duplicates Z: 8 2.742 1.685 0.401 0.348 0.571 0.429 N 0.905 8 residues pruned to eliminate duplicates Z: 6 3.337 1.725 0.353 0.529 0.600 0.400 N 1.036 6 residues pruned to eliminate duplicates Z: 7 4.726 1.791 0.334 0.493 0.667 0.333 CB 1.219 9 residues pruned to eliminate duplicates Z: 6 4.538 1.882 0.305 0.301 0.800 0.000 CA 1.290 6 residues pruned to eliminate duplicates Z: 23 12.131 1.895 0.119 0.429 0.909 0.545 CB 1.443 23 residues pruned to eliminate duplicates Z: 22 16.768 2.040 0.143 0.523 1.000 0.667 CB 1.535 21 residues pruned to eliminate duplicates Z: 7 4.001 1.349 0.817 0.476 0.833 0.500 CA 0.820 7 residues pruned to eliminate duplicates Z: 18 16.020 2.025 0.251 0.620 0.941 0.588 CA 1.456 18 residues pruned to eliminate duplicates Z: 21 14.978 2.053 0.204 0.499 0.900 0.600 CA 1.506 21 residues pruned to eliminate duplicates Z: 20 16.302 2.072 0.210 0.535 0.895 0.632 CA 1.610 20 residues pruned to eliminate duplicates Z: 21 16.939 2.077 0.220 0.502 1.000 0.600 CB 1.493 21 residues pruned to eliminate duplicates Z: 21 16.873 1.987 0.479 0.484 0.850 0.600 CA 1.535 21 residues pruned to eliminate duplicates Z: 21 17.793 2.081 0.231 0.538 0.950 0.650 CB 1.576 21 residues pruned to eliminate duplicates Z: 22 16.476 2.068 0.302 0.479 0.905 0.619 CB 1.506 22 residues pruned to eliminate duplicates Z: 21 16.418 2.064 0.208 0.511 0.950 0.700 CB 1.534 21 residues pruned to eliminate duplicates Z: 22 19.437 2.031 0.308 0.525 1.000 0.619 CB 1.557 21 residues pruned to eliminate duplicates 522 residues left after pruning, divided into chains as follows: A: 6 B: 6 C: 6 D: 12 E: 25 F: 10 G: 8 H: 11 I: 21 J: 28 K: 109 L: 105 M: 23 N: 36 O: 25 P: 32 Q: 7 R: 18 S: 12 T: 22 CC for partial structure against native data = 17.22 % ------------------------------------------------------------------------------ Global autotracing cycle 27 = 0.300, Contrast = 0.402, Connect. = 0.677 for dens.mod. cycle 1 = 0.300, Contrast = 0.467, Connect. = 0.698 for dens.mod. cycle 2 = 0.300, Contrast = 0.539, Connect. = 0.734 for dens.mod. cycle 3 = 0.300, Contrast = 0.547, Connect. = 0.740 for dens.mod. cycle 4 = 0.300, Contrast = 0.556, Connect. = 0.745 for dens.mod. cycle 5 = 0.300, Contrast = 0.561, Connect. = 0.748 for dens.mod. cycle 6 = 0.300, Contrast = 0.566, Connect. = 0.751 for dens.mod. cycle 7 = 0.300, Contrast = 0.568, Connect. = 0.754 for dens.mod. cycle 8 = 0.300, Contrast = 0.571, Connect. = 0.755 for dens.mod. cycle 9 = 0.300, Contrast = 0.572, Connect. = 0.757 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6984 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1166 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 23.832 2.072 0.163 0.890 1.000 0.905 CB 1.552 B: 21 27.887 2.218 0.201 0.871 1.000 0.750 CB 1.707 22 residues pruned to eliminate duplicates C: 21 28.660 2.201 0.267 0.866 1.000 0.850 CA 1.683 21 residues pruned to eliminate duplicates D: 12 9.387 1.896 0.333 0.470 0.727 0.545 CA 1.587 E: 18 18.157 2.175 0.267 0.862 0.941 0.765 CB 1.247 F: 22 30.572 2.209 0.395 0.869 0.952 0.714 CB 1.660 21 residues pruned to eliminate duplicates G: 7 5.756 1.919 0.586 0.440 0.667 0.500 CA 1.232 H: 21 19.334 2.084 0.223 0.551 1.000 0.550 CA 1.614 I: 12 19.492 2.235 0.283 0.904 1.000 0.909 CB 1.459 12 residues pruned to eliminate duplicates J: 20 34.032 2.167 0.493 0.883 1.000 0.737 CB 1.744 22 residues pruned to eliminate duplicates K: 22 28.418 2.196 0.336 0.846 1.000 0.667 CB 1.571 21 residues pruned to eliminate duplicates L: 21 19.669 2.276 0.569 0.319 0.900 0.450 CA 1.671 7 residues pruned to eliminate duplicates M: 16 33.107 2.183 0.506 0.916 1.000 0.733 CB 1.836 15 residues pruned to eliminate duplicates N: 11 9.700 1.898 0.229 0.472 0.900 0.500 CB 1.503 O: 22 27.785 2.166 0.436 0.863 0.952 0.524 CB 1.502 22 residues pruned to eliminate duplicates P: 14 7.180 1.901 0.338 0.362 0.769 0.692 CB 1.181 Q: 22 24.980 1.997 0.420 0.876 0.952 0.762 CA 1.466 R: 20 26.764 2.306 0.335 0.881 0.895 0.737 CB 1.614 20 residues pruned to eliminate duplicates S: 16 15.305 2.097 0.276 0.643 1.000 0.533 CB 1.292 T: 21 32.451 2.302 0.358 0.894 1.000 0.800 CB 1.665 22 residues pruned to eliminate duplicates U: 25 16.465 2.110 0.297 0.530 0.833 0.583 CB 1.431 20 residues pruned to eliminate duplicates V: 21 29.652 2.092 0.522 0.840 0.950 0.750 CB 1.636 21 residues pruned to eliminate duplicates W: 20 24.159 2.078 0.519 0.870 1.000 0.737 CB 1.282 18 residues pruned to eliminate duplicates X: 24 30.375 2.089 0.550 0.802 0.913 0.652 CB 1.645 20 residues pruned to eliminate duplicates Y: 10 6.672 1.938 0.375 0.396 0.667 0.444 CB 1.397 Z: 20 28.180 2.143 0.404 0.867 1.000 1.000 CB 1.572 23 residues pruned to eliminate duplicates Z: 21 28.971 2.240 0.256 0.840 1.000 0.900 CB 1.718 21 residues pruned to eliminate duplicates Z: 22 31.972 2.200 0.298 0.926 1.000 0.810 CB 1.713 22 residues pruned to eliminate duplicates Z: 12 5.524 1.890 0.054 0.305 0.727 0.455 CB 1.428 Z: 20 28.671 2.146 0.470 0.902 0.947 0.947 CB 1.569 20 residues pruned to eliminate duplicates Z: 16 20.313 1.908 0.438 0.868 0.867 0.600 N 1.612 16 residues pruned to eliminate duplicates Z: 26 11.238 1.872 0.158 0.418 0.840 0.440 CB 1.345 12 residues pruned to eliminate duplicates Z: 21 23.034 2.077 0.504 0.823 0.950 0.650 CB 1.312 20 residues pruned to eliminate duplicates Z: 23 16.945 1.970 0.528 0.504 0.955 0.636 CB 1.252 Z: 11 17.586 2.132 0.462 0.804 1.000 0.900 CB 1.368 11 residues pruned to eliminate duplicates Z: 7 4.186 1.881 0.251 0.389 0.833 0.500 N 0.980 Z: 11 17.842 2.230 0.479 0.826 1.000 0.600 CB 1.290 11 residues pruned to eliminate duplicates Z: 11 11.618 2.155 0.209 0.549 0.800 0.600 CA 1.679 Z: 6 8.737 2.119 0.642 0.532 0.800 0.600 CB 1.360 6 residues pruned to eliminate duplicates Z: 8 7.230 1.845 0.389 0.522 0.857 0.286 CB 1.218 Z: 22 33.973 2.176 0.617 0.873 0.952 0.524 CB 1.612 23 residues pruned to eliminate duplicates Z: 13 15.516 1.977 0.106 0.843 1.000 0.917 CB 1.526 13 residues pruned to eliminate duplicates Z: 18 19.873 2.024 0.689 0.657 0.824 0.647 CA 1.479 Z: 9 15.602 1.977 0.180 0.841 1.000 0.625 CA 1.763 9 residues pruned to eliminate duplicates Z: 8 10.990 2.216 0.591 0.403 1.000 0.429 CB 1.304 9 residues pruned to eliminate duplicates Z: 22 31.680 2.157 0.634 0.861 0.952 0.524 CB 1.513 22 residues pruned to eliminate duplicates Z: 20 27.349 1.994 0.491 0.870 0.947 0.684 CA 1.625 20 residues pruned to eliminate duplicates Z: 6 6.021 2.043 -0.041 0.582 0.800 0.400 CA 1.588 Z: 10 10.499 1.904 0.168 0.764 0.889 0.667 CA 1.401 10 residues pruned to eliminate duplicates Z: 17 17.695 1.964 0.381 0.848 0.875 0.688 CB 1.383 17 residues pruned to eliminate duplicates Z: 11 13.224 1.812 0.307 0.873 1.000 0.600 CA 1.286 11 residues pruned to eliminate duplicates Z: 8 4.719 1.551 0.512 0.391 0.714 0.429 C 1.196 Z: 8 5.211 1.782 0.508 0.385 0.714 0.143 CB 1.160 Z: 6 8.714 1.773 1.243 0.562 0.800 0.400 CB 1.154 Z: 41 42.342 2.254 0.571 0.701 0.925 0.600 CB 1.701 41 residues pruned to eliminate duplicates Z: 16 24.497 2.208 0.484 0.803 0.867 0.600 CB 1.709 16 residues pruned to eliminate duplicates Z: 22 20.777 2.179 0.122 0.861 0.905 0.714 CB 1.506 22 residues pruned to eliminate duplicates Z: 14 5.989 1.822 0.253 0.398 0.769 0.615 CB 1.054 14 residues pruned to eliminate duplicates Z: 22 27.794 1.908 0.558 0.929 1.000 0.952 CA 1.428 22 residues pruned to eliminate duplicates Z: 7 3.602 1.720 0.213 0.423 0.667 0.333 CA 1.145 Z: 21 26.784 1.981 0.532 0.869 0.950 0.550 CB 1.518 21 residues pruned to eliminate duplicates Z: 16 12.463 2.041 0.202 0.884 0.933 0.733 CB 1.016 16 residues pruned to eliminate duplicates Z: 11 9.861 1.661 0.656 0.592 0.800 0.700 CB 1.298 Z: 10 8.063 1.699 0.494 0.804 0.778 0.667 CB 1.044 10 residues pruned to eliminate duplicates Z: 22 13.088 2.126 0.194 0.379 0.952 0.381 CA 1.343 22 residues pruned to eliminate duplicates Z: 12 7.171 1.900 0.168 0.409 0.909 0.545 CA 1.179 Z: 21 31.047 2.045 0.591 0.875 1.000 0.700 CA 1.552 22 residues pruned to eliminate duplicates Z: 7 6.524 1.760 0.484 0.388 1.000 0.333 CA 1.149 6 residues pruned to eliminate duplicates Z: 9 4.486 1.866 0.030 0.455 1.000 0.250 CB 0.865 Z: 16 10.814 1.870 0.261 0.553 0.933 0.600 CA 1.205 Z: 102 43.115 2.195 0.506 0.450 0.891 0.455 CB 1.533 82 residues pruned to eliminate duplicates Z: 12 6.890 1.937 0.107 0.478 0.818 0.727 CB 1.211 12 residues pruned to eliminate duplicates Z: 10 12.597 1.972 0.222 0.808 0.889 0.556 N 1.499 10 residues pruned to eliminate duplicates Z: 10 7.273 1.931 0.356 0.388 0.667 0.444 CA 1.563 10 residues pruned to eliminate duplicates Z: 11 6.849 1.625 0.690 0.331 0.900 0.500 CB 1.054 Z: 22 24.285 2.069 0.590 0.875 0.952 0.762 CA 1.230 22 residues pruned to eliminate duplicates Z: 17 25.947 2.258 0.330 0.854 1.000 0.750 CB 1.595 17 residues pruned to eliminate duplicates Z: 8 8.328 1.748 0.628 0.562 0.857 0.429 CB 1.215 8 residues pruned to eliminate duplicates Z: 10 11.534 1.972 0.638 0.466 0.778 0.556 N 1.583 10 residues pruned to eliminate duplicates Z: 19 26.100 2.128 0.657 0.891 1.000 0.889 CA 1.254 18 residues pruned to eliminate duplicates Z: 27 11.707 2.033 0.228 0.240 0.846 0.346 CA 1.468 27 residues pruned to eliminate duplicates Z: 15 15.633 1.956 0.704 0.841 0.857 0.571 CA 1.091 7 1.414 1.461 0.540 0.249 0.667 0.500 CB 0.513 ? Z: 9 5.260 1.540 1.024 0.182 0.750 0.250 N 1.167 Z: 23 14.194 2.031 0.486 0.377 0.773 0.545 CA 1.480 23 residues pruned to eliminate duplicates Z: 13 12.119 2.011 0.144 0.868 1.000 0.750 CB 1.112 13 residues pruned to eliminate duplicates Z: 21 19.905 2.026 0.286 0.852 1.000 0.650 CA 1.263 21 residues pruned to eliminate duplicates Z: 6 3.078 1.520 0.256 0.279 1.000 0.400 CB 0.925 Z: 28 16.108 1.993 0.385 0.492 0.889 0.370 CB 1.273 25 residues pruned to eliminate duplicates Z: 8 6.702 1.890 0.746 0.797 0.571 0.429 CB 1.036 8 residues pruned to eliminate duplicates Z: 10 11.128 1.679 0.780 0.793 0.889 0.667 CA 1.080 10 residues pruned to eliminate duplicates Z: 8 3.671 1.584 0.323 0.324 0.714 0.429 CB 1.123 Z: 19 10.821 1.941 0.360 0.378 0.778 0.389 CB 1.415 Z: 7 6.522 1.926 0.300 0.487 1.000 0.667 CB 1.077 7 residues pruned to eliminate duplicates Z: 9 8.203 2.106 0.698 0.412 0.750 0.375 CA 1.186 Z: 15 15.265 1.979 0.732 0.869 0.714 0.357 CB 1.218 15 residues pruned to eliminate duplicates Z: 10 19.678 2.193 0.211 0.881 1.000 0.778 N 1.788 10 residues pruned to eliminate duplicates Z: 27 20.167 2.108 0.406 0.514 0.846 0.577 CB 1.556 27 residues pruned to eliminate duplicates Z: 16 13.777 2.012 0.463 0.432 0.933 0.600 CB 1.388 Z: 13 13.616 1.956 0.408 0.859 0.917 0.833 CA 1.146 8 residues pruned to eliminate duplicates Z: 9 5.003 1.947 0.312 0.241 0.750 0.625 N 1.246 9 residues pruned to eliminate duplicates Z: 30 13.622 1.900 0.239 0.459 0.931 0.621 CB 1.203 29 residues pruned to eliminate duplicates Z: 22 31.548 2.118 0.558 0.896 1.000 0.571 CB 1.494 22 residues pruned to eliminate duplicates Z: 11 11.053 2.002 0.053 0.891 1.000 0.800 CB 1.192 Z: 10 15.152 1.955 0.274 0.900 1.000 0.889 CA 1.449 14 residues pruned to eliminate duplicates Z: 10 11.820 2.179 0.031 0.821 0.778 0.778 CB 1.707 10 residues pruned to eliminate duplicates Z: 12 10.633 2.031 0.544 0.418 0.909 0.636 CA 1.225 10 residues pruned to eliminate duplicates Z: 21 31.644 2.008 0.653 0.911 0.950 0.850 CA 1.591 21 residues pruned to eliminate duplicates Z: 12 8.639 1.801 0.150 0.646 1.000 0.636 CA 1.098 12 residues pruned to eliminate duplicates Z: 6 9.271 2.046 0.608 0.599 0.800 0.800 CA 1.434 6 residues pruned to eliminate duplicates Z: 9 9.571 2.013 0.517 0.408 0.750 0.375 CA 1.627 8 residues pruned to eliminate duplicates Z: 12 9.729 1.918 0.418 0.560 0.818 0.636 CB 1.243 14 residues pruned to eliminate duplicates Z: 14 9.388 1.876 0.376 0.402 0.769 0.615 CA 1.455 12 residues pruned to eliminate duplicates Z: 21 16.876 2.042 0.334 0.478 0.950 0.600 CB 1.492 21 residues pruned to eliminate duplicates Z: 33 16.748 1.986 0.446 0.357 0.875 0.500 CB 1.375 34 residues pruned to eliminate duplicates Z: 10 11.575 1.907 0.209 0.702 1.000 0.444 CB 1.393 10 residues pruned to eliminate duplicates Z: 32 23.073 2.044 0.472 0.599 1.000 0.645 CA 1.252 32 residues pruned to eliminate duplicates Z: 7 2.880 1.783 0.205 0.812 0.833 0.500 CA 0.501 7 residues pruned to eliminate duplicates Z: 9 13.913 2.168 0.213 0.845 0.875 0.625 CB 1.590 9 residues pruned to eliminate duplicates Z: 7 7.884 1.754 0.562 0.417 1.000 0.667 CB 1.281 7 residues pruned to eliminate duplicates Z: 10 9.021 2.116 0.363 0.731 0.778 0.222 CB 1.089 10 residues pruned to eliminate duplicates Z: 15 11.656 1.794 0.452 0.470 0.929 0.571 CA 1.328 16 residues pruned to eliminate duplicates Z: 22 13.820 2.017 0.417 0.458 0.810 0.429 CA 1.361 22 residues pruned to eliminate duplicates Z: 20 29.743 1.992 0.606 0.910 1.000 0.895 CA 1.513 19 residues pruned to eliminate duplicates Z: 10 5.827 1.748 0.565 0.314 0.778 0.667 CB 1.121 Z: 17 18.231 2.108 0.296 0.555 1.000 0.500 CB 1.582 17 residues pruned to eliminate duplicates Z: 16 18.816 1.930 0.664 0.665 1.000 0.600 CA 1.299 15 residues pruned to eliminate duplicates Z: 22 32.091 2.198 0.469 0.899 0.905 0.619 CB 1.713 22 residues pruned to eliminate duplicates Z: 12 10.854 1.933 0.705 0.346 0.818 0.455 CA 1.435 10 residues pruned to eliminate duplicates Z: 21 12.960 1.978 0.298 0.452 0.850 0.550 CB 1.395 20 residues pruned to eliminate duplicates Z: 12 17.706 1.954 0.434 0.872 1.000 0.727 CA 1.389 12 residues pruned to eliminate duplicates Z: 19 40.678 2.330 0.664 0.901 1.000 0.278 CB 1.765 19 residues pruned to eliminate duplicates Z: 7 5.085 1.735 0.184 0.519 0.833 0.667 CB 1.190 Z: 7 2.741 1.739 0.337 0.244 0.667 0.500 CB 0.970 Z: 21 26.860 2.115 0.372 0.849 0.950 0.700 CB 1.616 21 residues pruned to eliminate duplicates Z: 21 17.587 2.041 0.116 0.581 1.000 0.700 N 1.597 21 residues pruned to eliminate duplicates Z: 19 11.047 1.964 0.178 0.409 0.833 0.500 CB 1.486 20 residues pruned to eliminate duplicates Z: 13 11.372 1.827 0.242 0.608 1.000 0.667 CB 1.306 9 residues pruned to eliminate duplicates Z: 14 8.062 1.737 0.330 0.523 0.846 0.846 CA 1.119 12 residues pruned to eliminate duplicates Z: 11 15.692 1.981 0.791 0.861 0.800 0.400 CA 1.285 11 residues pruned to eliminate duplicates Z: 18 25.833 1.995 0.795 0.873 1.000 0.647 CA 1.274 18 residues pruned to eliminate duplicates Z: 22 24.391 2.006 0.339 0.849 1.000 0.619 CA 1.469 22 residues pruned to eliminate duplicates Z: 18 13.179 2.025 0.371 0.561 0.824 0.412 CB 1.318 11 residues pruned to eliminate duplicates Z: 21 16.515 2.086 0.217 0.512 0.900 0.750 CB 1.598 21 residues pruned to eliminate duplicates Z: 14 17.040 2.102 0.455 0.865 0.923 0.692 CA 1.226 14 residues pruned to eliminate duplicates Z: 18 11.090 1.927 0.414 0.315 0.824 0.294 CB 1.472 11 residues pruned to eliminate duplicates Z: 7 4.022 1.614 0.393 0.398 0.833 0.333 N 0.976 Z: 22 8.312 1.801 0.111 0.368 0.905 0.429 CB 1.154 22 residues pruned to eliminate duplicates Z: 21 12.476 1.886 0.395 0.521 0.850 0.550 CA 1.222 21 residues pruned to eliminate duplicates Z: 12 12.335 1.865 0.447 0.621 0.909 0.727 CA 1.353 11 residues pruned to eliminate duplicates Z: 12 5.268 1.513 0.188 0.414 0.909 0.545 CB 1.063 Z: 13 22.111 2.022 0.681 0.865 0.917 0.667 CB 1.501 13 residues pruned to eliminate duplicates Z: 10 7.856 1.914 0.387 0.439 0.667 0.556 C 1.576 10 residues pruned to eliminate duplicates Z: 11 7.951 1.938 0.245 0.452 0.700 0.500 CA 1.564 11 residues pruned to eliminate duplicates Z: 20 11.592 1.935 0.503 0.496 0.737 0.158 CB 1.245 25 residues pruned to eliminate duplicates Z: 6 2.890 1.561 0.010 0.407 0.800 0.600 C 1.130 Z: 20 28.281 1.965 0.585 0.803 0.947 0.632 CA 1.687 20 residues pruned to eliminate duplicates Z: 19 15.691 1.960 0.723 0.436 0.944 0.556 CB 1.238 19 residues pruned to eliminate duplicates Z: 12 4.028 1.571 0.157 0.351 0.909 0.455 CB 0.864 12 residues pruned to eliminate duplicates Z: 14 20.418 2.059 0.768 0.806 0.923 0.462 CA 1.290 14 residues pruned to eliminate duplicates Z: 8 14.749 2.052 0.336 0.859 1.000 0.857 CB 1.496 8 residues pruned to eliminate duplicates Z: 6 2.415 1.431 0.362 0.417 0.600 0.200 CB 1.007 Z: 18 12.888 2.065 0.374 0.409 0.882 0.471 CB 1.373 18 residues pruned to eliminate duplicates Z: 19 19.785 2.062 0.445 0.902 1.000 0.833 CA 1.116 19 residues pruned to eliminate duplicates Z: 20 25.873 2.039 0.823 0.861 0.947 0.526 CA 1.239 19 residues pruned to eliminate duplicates Z: 16 5.566 1.993 0.128 0.248 0.667 0.333 CB 1.281 12 residues pruned to eliminate duplicates Z: 16 8.118 2.039 0.160 0.387 0.733 0.533 CB 1.362 16 residues pruned to eliminate duplicates Z: 8 2.114 1.704 -0.173 0.509 0.857 0.429 CB 0.656 Z: 27 10.565 1.996 0.215 0.399 0.731 0.577 CA 1.300 19 residues pruned to eliminate duplicates Z: 21 21.216 2.030 0.467 0.859 0.950 0.700 CB 1.233 21 residues pruned to eliminate duplicates Z: 7 3.585 1.293 0.599 0.346 0.833 0.500 C 1.004 Z: 17 12.381 1.862 0.807 0.457 0.750 0.250 CA 1.282 17 residues pruned to eliminate duplicates Z: 7 3.473 1.567 0.106 0.704 0.833 0.667 N 0.816 Z: 8 13.400 1.950 0.249 0.820 1.000 0.571 CA 1.576 8 residues pruned to eliminate duplicates Z: 8 4.811 1.720 0.445 0.293 0.714 0.571 CB 1.292 8 residues pruned to eliminate duplicates Z: 6 4.468 1.504 0.422 0.577 0.800 0.400 N 1.085 6 residues pruned to eliminate duplicates Z: 11 15.653 2.134 0.511 0.591 0.900 0.600 CA 1.564 13 residues pruned to eliminate duplicates Z: 6 6.055 1.655 0.530 0.769 1.000 0.800 C 0.843 Z: 16 12.726 1.848 0.398 0.628 0.933 0.667 CA 1.208 16 residues pruned to eliminate duplicates Z: 29 14.510 2.041 0.209 0.335 0.929 0.536 CA 1.432 29 residues pruned to eliminate duplicates Z: 8 9.340 1.740 0.227 0.851 1.000 0.714 CA 1.223 8 residues pruned to eliminate duplicates Z: 18 11.322 1.948 0.343 0.466 0.882 0.706 CA 1.232 9 residues pruned to eliminate duplicates Z: 32 15.340 2.062 0.327 0.337 0.839 0.419 CA 1.434 32 residues pruned to eliminate duplicates Z: 10 2.135 1.787 -0.119 0.480 0.667 0.444 CB 0.692 10 residues pruned to eliminate duplicates Z: 10 2.042 1.566 0.138 0.261 0.556 0.333 CB 0.904 Z: 18 20.198 2.014 0.855 0.864 0.882 0.765 CA 1.090 18 residues pruned to eliminate duplicates Z: 23 16.424 2.152 0.537 0.399 0.773 0.591 CB 1.524 23 residues pruned to eliminate duplicates Z: 16 28.044 2.129 0.495 0.859 0.933 0.600 CA 1.793 16 residues pruned to eliminate duplicates Z: 8 7.024 1.857 0.174 0.568 0.714 0.714 CB 1.597 7 residues pruned to eliminate duplicates Z: 11 2.974 1.696 0.221 0.200 0.600 0.300 CB 1.081 8 residues pruned to eliminate duplicates Z: 11 13.107 2.019 0.368 0.849 0.900 0.700 CA 1.236 11 residues pruned to eliminate duplicates Z: 7 2.110 1.385 0.304 0.307 0.833 0.500 CB 0.710 Z: 22 8.780 1.820 0.240 0.389 0.762 0.429 CB 1.253 9 residues pruned to eliminate duplicates Z: 19 15.858 1.979 0.387 0.596 0.944 0.833 CA 1.316 19 residues pruned to eliminate duplicates Z: 14 16.347 1.982 0.315 0.719 1.000 0.462 CA 1.427 14 residues pruned to eliminate duplicates Z: 9 7.694 1.639 0.452 0.839 1.000 0.750 CA 0.854 9 residues pruned to eliminate duplicates Z: 8 2.430 1.582 0.590 0.337 0.571 0.429 CB 0.764 Z: 21 34.084 2.086 0.641 0.872 1.000 0.850 CA 1.623 21 residues pruned to eliminate duplicates Z: 29 14.465 2.165 0.316 0.297 0.750 0.321 CA 1.606 29 residues pruned to eliminate duplicates Z: 14 11.164 1.983 0.392 0.351 0.923 0.385 CB 1.428 14 residues pruned to eliminate duplicates Z: 17 6.711 1.739 0.314 0.372 0.750 0.438 CB 1.122 17 residues pruned to eliminate duplicates Z: 16 31.717 2.265 0.485 0.866 0.933 0.467 CA 1.910 16 residues pruned to eliminate duplicates Z: 12 13.534 2.086 0.328 0.809 0.909 0.545 CB 1.237 12 residues pruned to eliminate duplicates Z: 35 17.390 1.978 0.285 0.515 0.882 0.647 CB 1.309 33 residues pruned to eliminate duplicates Z: 23 17.867 1.951 0.496 0.560 0.909 0.727 CA 1.355 23 residues pruned to eliminate duplicates Z: 8 4.548 1.884 0.000 0.301 0.714 0.286 CA 1.595 9 residues pruned to eliminate duplicates Z: 6 3.688 1.652 -0.019 0.424 1.000 0.600 CA 1.102 8 residues pruned to eliminate duplicates Z: 40 22.274 2.191 0.430 0.325 0.846 0.410 CA 1.631 40 residues pruned to eliminate duplicates Z: 22 26.617 2.002 0.394 0.894 0.952 0.857 CA 1.568 22 residues pruned to eliminate duplicates Z: 11 7.730 1.826 0.402 0.390 0.900 0.400 CB 1.193 11 residues pruned to eliminate duplicates Z: 17 15.216 2.088 0.241 0.606 1.000 0.438 CB 1.327 18 residues pruned to eliminate duplicates Z: 21 9.936 1.895 0.025 0.382 0.900 0.450 CB 1.441 21 residues pruned to eliminate duplicates Z: 6 2.403 1.322 0.438 0.487 0.600 0.600 N 0.955 Z: 12 12.034 1.962 0.248 0.556 1.000 0.636 CA 1.402 14 residues pruned to eliminate duplicates Z: 6 3.591 1.648 0.052 0.495 0.800 0.600 N 1.164 Z: 8 3.714 1.612 0.126 0.433 0.714 0.429 CB 1.161 Z: 17 7.934 1.812 0.296 0.245 0.812 0.312 CB 1.396 18 residues pruned to eliminate duplicates Z: 16 4.705 1.647 0.496 0.257 0.733 0.267 CB 0.888 15 residues pruned to eliminate duplicates Z: 23 14.045 1.916 0.501 0.438 0.909 0.500 CB 1.222 23 residues pruned to eliminate duplicates Z: 6 2.830 1.870 0.246 0.306 0.600 0.600 CB 1.124 6 residues pruned to eliminate duplicates Z: 10 7.271 1.937 0.197 0.447 0.778 0.556 CA 1.419 10 residues pruned to eliminate duplicates Z: 16 10.366 1.829 0.391 0.447 0.933 0.600 CB 1.190 10 residues pruned to eliminate duplicates Z: 6 8.754 1.793 0.288 0.670 1.000 0.600 C 1.450 Z: 7 3.688 1.537 0.520 0.415 0.667 0.333 CA 1.056 Z: 10 14.067 2.169 0.137 0.835 1.000 0.556 CB 1.424 10 residues pruned to eliminate duplicates Z: 6 5.112 1.984 0.359 0.448 1.000 0.800 CB 0.895 6 residues pruned to eliminate duplicates Z: 11 9.709 2.153 -0.009 0.760 0.900 0.500 CB 1.269 11 residues pruned to eliminate duplicates Z: 12 10.356 1.878 0.581 0.800 0.727 0.273 CA 1.112 12 residues pruned to eliminate duplicates Z: 9 14.538 2.096 0.122 0.832 1.000 0.875 CB 1.642 9 residues pruned to eliminate duplicates Z: 14 7.618 1.465 0.412 0.475 1.000 0.538 CB 1.048 Z: 6 5.521 1.766 0.031 0.758 1.000 0.800 CB 1.078 Z: 9 7.194 1.949 0.561 0.337 0.750 0.500 CA 1.332 6 residues pruned to eliminate duplicates Z: 8 3.377 1.542 0.152 0.317 0.857 0.429 CB 1.027 6 residues pruned to eliminate duplicates Z: 6 2.488 1.552 0.388 0.506 0.600 0.200 C 0.856 6 residues pruned to eliminate duplicates Z: 9 3.379 1.777 0.207 0.249 0.875 0.500 CB 0.850 9 residues pruned to eliminate duplicates Z: 14 10.096 1.992 0.466 0.278 0.923 0.308 CB 1.336 18 residues pruned to eliminate duplicates Z: 8 6.588 1.724 0.399 0.681 0.857 0.714 CB 1.020 8 residues pruned to eliminate duplicates Z: 7 7.259 1.702 0.394 0.614 1.000 0.667 N 1.121 7 residues pruned to eliminate duplicates Z: 12 12.743 2.036 0.318 0.851 0.818 0.364 CB 1.296 12 residues pruned to eliminate duplicates Z: 10 17.159 1.814 0.470 0.851 1.000 0.778 CA 1.588 10 residues pruned to eliminate duplicates Z: 12 8.381 1.829 0.264 0.585 0.727 0.455 C 1.386 12 residues pruned to eliminate duplicates Z: 8 3.560 1.551 0.651 0.236 0.714 0.286 CB 0.999 Z: 12 9.877 1.908 0.213 0.411 0.909 0.364 CB 1.554 12 residues pruned to eliminate duplicates Z: 11 7.048 1.471 0.532 0.432 0.900 0.800 CA 1.179 11 residues pruned to eliminate duplicates Z: 14 11.135 1.905 0.584 0.850 0.769 0.385 CB 0.985 14 residues pruned to eliminate duplicates Z: 9 5.807 1.926 -0.294 0.864 0.750 0.375 N 1.476 9 residues pruned to eliminate duplicates Z: 9 4.253 1.404 0.367 0.442 0.875 0.375 CB 0.951 8 residues pruned to eliminate duplicates Z: 8 8.512 1.932 -0.068 0.895 1.000 1.000 CA 1.280 8 residues pruned to eliminate duplicates Z: 13 15.296 2.101 0.200 0.822 1.000 0.750 CA 1.325 13 residues pruned to eliminate duplicates Z: 13 10.920 2.001 0.414 0.494 0.833 0.750 CA 1.345 13 residues pruned to eliminate duplicates Z: 6 4.240 1.782 0.296 0.507 0.800 0.400 CB 1.020 Z: 13 14.245 1.955 0.451 0.539 1.000 0.417 CB 1.395 13 residues pruned to eliminate duplicates Z: 9 6.000 1.683 0.095 0.607 0.875 0.500 CB 1.188 Z: 10 8.163 1.918 0.550 0.426 0.667 0.556 N 1.484 12 residues pruned to eliminate duplicates Z: 20 19.891 1.923 0.784 0.824 0.895 0.579 CA 1.123 20 residues pruned to eliminate duplicates Z: 8 4.249 1.481 -0.175 0.678 1.000 0.714 C 1.115 4 residues pruned to eliminate duplicates Z: 8 3.372 1.611 0.274 0.303 0.571 0.429 CA 1.353 8 residues pruned to eliminate duplicates Z: 15 10.112 1.987 0.273 0.360 0.786 0.500 CB 1.583 6 residues pruned to eliminate duplicates Z: 33 22.292 1.919 0.530 0.679 0.875 0.531 CB 1.302 33 residues pruned to eliminate duplicates Z: 8 11.978 2.184 0.202 0.671 1.000 0.714 CA 1.473 8 residues pruned to eliminate duplicates Z: 9 6.095 1.855 0.259 0.576 0.875 0.625 CA 0.981 9 residues pruned to eliminate duplicates Z: 12 19.514 2.028 0.376 0.878 1.000 0.364 CB 1.530 16 residues pruned to eliminate duplicates Z: 6 6.011 1.669 0.589 0.514 0.800 0.800 N 1.250 6 residues pruned to eliminate duplicates Z: 19 13.239 1.936 0.214 0.520 0.889 0.389 CB 1.464 19 residues pruned to eliminate duplicates Z: 20 5.692 1.740 0.280 0.183 0.789 0.263 CB 1.088 19 residues pruned to eliminate duplicates Z: 7 2.355 1.557 0.192 0.835 0.833 0.500 CB 0.466 7 residues pruned to eliminate duplicates Z: 20 12.719 1.953 0.469 0.409 0.842 0.474 CA 1.329 20 residues pruned to eliminate duplicates Z: 12 5.488 1.723 0.334 0.321 0.727 0.182 CA 1.206 12 residues pruned to eliminate duplicates Z: 50 27.475 2.144 0.564 0.438 0.878 0.408 CB 1.423 50 residues pruned to eliminate duplicates Z: 6 2.974 1.753 0.194 0.300 1.000 0.600 CB 0.795 Z: 11 11.145 2.085 0.338 0.823 0.900 0.500 CB 1.061 11 residues pruned to eliminate duplicates Z: 52 33.645 2.189 0.456 0.618 0.922 0.510 CB 1.436 52 residues pruned to eliminate duplicates Z: 21 36.478 2.048 0.744 0.904 1.000 0.700 CA 1.626 21 residues pruned to eliminate duplicates Z: 21 34.828 2.041 0.676 0.880 0.950 0.500 CA 1.737 21 residues pruned to eliminate duplicates 7 1.417 1.354 -0.395 0.402 0.833 0.500 C 0.941 ? Z: 7 8.575 1.744 0.521 0.675 1.000 0.833 CA 1.123 7 residues pruned to eliminate duplicates Z: 20 21.004 2.088 0.319 0.914 1.000 0.842 CB 1.237 20 residues pruned to eliminate duplicates Z: 6 2.989 1.365 0.023 0.564 1.000 0.400 CB 0.901 Z: 6 6.833 1.942 0.015 0.667 1.000 0.600 CA 1.329 6 residues pruned to eliminate duplicates Z: 9 5.529 1.841 0.117 0.413 0.750 0.625 CA 1.388 9 residues pruned to eliminate duplicates Z: 21 16.261 2.099 0.234 0.505 0.900 0.700 CB 1.552 21 residues pruned to eliminate duplicates 6 1.718 1.557 -0.080 0.748 0.800 0.600 CA 0.537 ? Z: 27 15.237 2.024 0.544 0.344 0.846 0.385 CB 1.338 27 residues pruned to eliminate duplicates Z: 8 2.197 1.446 -0.038 0.521 0.714 0.429 C 0.818 Z: 7 6.294 1.726 0.843 0.488 0.833 0.333 CA 0.981 Z: 6 3.163 1.400 0.553 0.415 0.800 0.400 CB 0.888 Z: 7 3.729 1.468 0.266 0.499 0.833 0.333 CB 0.984 7 residues pruned to eliminate duplicates Z: 13 11.809 1.965 0.368 0.495 0.917 0.500 CA 1.391 13 residues pruned to eliminate duplicates Z: 18 14.318 1.946 0.377 0.595 0.941 0.588 CB 1.257 18 residues pruned to eliminate duplicates Z: 13 9.514 1.590 0.344 0.488 1.000 0.583 C 1.300 7 residues pruned to eliminate duplicates Z: 9 20.689 2.227 0.566 0.789 1.000 0.750 CA 1.628 10 residues pruned to eliminate duplicates Z: 6 5.588 1.288 0.654 0.564 1.000 0.600 CB 1.104 Z: 12 11.271 1.974 0.069 0.568 1.000 0.636 CB 1.509 12 residues pruned to eliminate duplicates Z: 21 37.354 2.293 0.836 0.917 0.850 0.350 CB 1.648 21 residues pruned to eliminate duplicates 6 1.493 1.155 0.528 0.297 0.800 0.400 CB 0.594 ? Z: 12 4.299 1.335 0.372 0.226 0.818 0.727 C 1.192 Z: 6 7.459 1.936 0.341 0.769 0.800 0.800 CB 1.265 6 residues pruned to eliminate duplicates Z: 6 3.593 1.424 -0.012 0.554 1.000 0.800 C 1.084 Z: 8 8.487 1.780 0.219 0.812 0.857 0.571 CA 1.314 8 residues pruned to eliminate duplicates Z: 8 2.512 1.143 0.693 0.395 0.857 0.286 CB 0.639 Z: 7 3.073 1.510 0.235 0.590 1.000 0.667 N 0.617 Z: 6 2.135 1.309 -0.017 0.590 0.800 0.400 N 0.851 Z: 6 3.064 1.474 0.203 0.469 0.800 0.600 CB 0.996 Z: 16 7.100 1.727 0.023 0.462 0.867 0.600 CB 1.244 16 residues pruned to eliminate duplicates Z: 19 18.611 2.077 0.231 0.900 1.000 0.778 CB 1.226 19 residues pruned to eliminate duplicates Z: 7 3.243 1.409 0.351 0.374 0.833 0.500 CB 0.956 Z: 22 15.816 2.053 0.134 0.507 0.952 0.571 CB 1.546 22 residues pruned to eliminate duplicates Z: 26 19.116 2.101 0.453 0.409 0.920 0.440 CA 1.498 26 residues pruned to eliminate duplicates Z: 14 11.827 1.858 0.137 0.607 0.923 0.692 CB 1.519 12 residues pruned to eliminate duplicates Z: 20 19.040 2.073 0.276 0.554 1.000 0.632 CB 1.566 20 residues pruned to eliminate duplicates Z: 55 23.042 2.187 0.278 0.397 0.852 0.352 CB 1.468 55 residues pruned to eliminate duplicates Z: 10 9.449 1.858 0.640 0.345 0.778 0.333 CA 1.574 11 residues pruned to eliminate duplicates Z: 6 5.355 1.497 0.737 0.558 0.800 0.600 CA 1.089 Z: 13 5.109 1.594 0.282 0.367 0.750 0.083 CB 1.110 Z: 24 8.481 2.040 0.341 0.247 0.696 0.348 CB 1.244 24 residues pruned to eliminate duplicates Z: 18 22.091 2.058 0.402 0.696 1.000 0.647 CA 1.552 18 residues pruned to eliminate duplicates Z: 23 15.641 2.031 0.316 0.459 0.955 0.636 CA 1.363 23 residues pruned to eliminate duplicates Z: 9 3.554 1.358 0.634 0.540 0.750 0.250 CB 0.726 Z: 19 29.838 2.037 1.007 0.880 1.000 0.667 CA 1.247 19 residues pruned to eliminate duplicates Z: 7 4.375 1.544 0.153 0.405 0.833 0.333 CA 1.332 Z: 9 3.810 1.512 0.456 0.263 0.875 0.625 CA 0.916 Z: 6 4.830 1.741 0.201 0.503 1.000 0.600 N 1.030 Z: 13 8.761 1.878 0.413 0.440 0.667 0.583 CA 1.521 13 residues pruned to eliminate duplicates Z: 26 12.639 1.806 0.346 0.420 0.840 0.480 CB 1.347 26 residues pruned to eliminate duplicates Z: 22 16.579 1.939 0.474 0.497 1.000 0.762 CB 1.269 22 residues pruned to eliminate duplicates Z: 6 4.994 1.302 0.410 0.780 1.000 0.800 CB 0.950 6 1.006 1.104 0.958 0.343 0.600 0.600 CB 0.412 ? Z: 7 2.044 1.483 0.338 0.248 0.667 0.333 CA 0.843 6 residues pruned to eliminate duplicates Z: 9 4.456 1.115 0.766 0.776 0.875 0.750 N 0.717 Z: 12 7.079 1.626 0.125 0.488 0.909 0.545 CB 1.299 7 residues pruned to eliminate duplicates Z: 6 3.139 1.458 0.364 0.285 1.000 0.400 CB 0.899 Z: 18 34.058 2.217 0.723 0.900 1.000 0.412 CB 1.545 18 residues pruned to eliminate duplicates Z: 6 11.994 2.032 0.549 0.816 1.000 0.800 CB 1.295 6 residues pruned to eliminate duplicates Z: 7 4.787 1.382 0.671 0.638 1.000 0.667 CA 0.744 Z: 43 30.163 2.191 0.611 0.533 0.881 0.381 CB 1.449 43 residues pruned to eliminate duplicates Z: 13 8.490 1.934 0.215 0.517 0.833 0.750 CA 1.231 13 residues pruned to eliminate duplicates Z: 9 3.196 1.488 0.291 0.427 0.500 0.250 CA 1.269 Z: 8 15.266 2.134 0.259 0.857 1.000 0.714 CA 1.583 8 residues pruned to eliminate duplicates Z: 31 18.001 2.225 0.469 0.305 0.800 0.367 CB 1.561 31 residues pruned to eliminate duplicates Z: 6 4.687 1.327 0.844 0.856 0.800 0.600 CB 0.790 9 1.990 1.432 0.515 0.227 0.500 0.375 CA 0.892 ? Z: 12 4.946 1.573 0.559 0.289 0.727 0.545 CA 1.059 11 residues pruned to eliminate duplicates Z: 6 6.153 1.623 0.343 0.842 1.000 1.000 CB 0.941 6 residues pruned to eliminate duplicates Z: 6 4.203 1.382 0.241 0.688 0.800 0.600 N 1.153 Z: 6 5.035 1.746 0.476 0.473 0.800 0.800 CB 1.123 5 residues pruned to eliminate duplicates Z: 19 13.270 2.024 0.558 0.457 0.944 0.722 CA 1.097 19 residues pruned to eliminate duplicates Z: 6 3.673 1.337 0.258 0.375 1.000 0.600 N 1.116 Z: 10 2.618 1.683 -0.132 0.265 1.000 0.556 CB 0.781 10 residues pruned to eliminate duplicates Z: 7 5.299 1.863 0.078 0.374 0.833 0.500 CA 1.480 7 residues pruned to eliminate duplicates Z: 7 7.437 1.632 0.649 0.655 0.833 0.500 N 1.172 6 1.510 1.531 0.121 0.318 0.800 0.400 CB 0.602 ? Z: 6 2.269 1.533 0.563 0.138 0.600 0.200 C 1.107 Z: 8 5.160 1.705 0.126 0.666 0.857 0.714 CB 1.017 8 residues pruned to eliminate duplicates Z: 7 4.059 1.673 0.476 0.231 0.833 0.500 C 1.101 Z: 12 14.234 1.975 0.817 0.510 0.818 0.636 CA 1.447 12 residues pruned to eliminate duplicates Z: 7 8.546 1.702 0.922 0.388 1.000 0.833 CA 1.200 6 1.858 1.551 0.189 0.331 0.600 0.400 CB 0.904 ? Z: 6 15.748 2.089 1.082 0.713 1.000 1.000 CB 1.335 6 residues pruned to eliminate duplicates Z: 8 3.349 1.617 0.252 0.533 0.857 0.429 CB 0.706 Z: 18 10.160 1.839 0.241 0.447 0.882 0.529 CB 1.292 18 residues pruned to eliminate duplicates Z: 13 8.617 1.954 0.254 0.420 0.833 0.667 CB 1.323 13 residues pruned to eliminate duplicates Z: 42 19.345 2.108 0.328 0.347 0.805 0.415 CB 1.583 42 residues pruned to eliminate duplicates Z: 8 2.200 1.409 -0.083 0.215 0.857 0.286 CB 1.051 Z: 25 14.230 2.016 0.460 0.362 0.917 0.500 CB 1.249 25 residues pruned to eliminate duplicates Z: 23 8.104 1.640 0.354 0.485 0.727 0.409 CA 1.086 25 residues pruned to eliminate duplicates Z: 12 8.684 1.963 0.097 0.331 0.909 0.455 CA 1.610 10 residues pruned to eliminate duplicates Z: 11 10.222 1.883 0.062 0.717 1.000 0.800 CA 1.328 11 residues pruned to eliminate duplicates Z: 13 9.038 1.860 0.416 0.405 0.833 0.583 CA 1.314 13 residues pruned to eliminate duplicates Z: 12 2.850 1.470 0.063 0.236 0.818 0.455 CB 0.913 12 residues pruned to eliminate duplicates Z: 7 3.700 1.454 0.094 0.426 0.833 0.500 CB 1.231 7 residues pruned to eliminate duplicates Z: 10 4.714 1.750 0.145 0.476 0.889 0.444 CB 0.905 Z: 10 2.236 1.357 0.214 0.303 0.667 0.444 CA 0.845 Z: 12 4.517 1.625 0.133 0.311 0.818 0.364 CB 1.115 12 residues pruned to eliminate duplicates Z: 18 31.214 2.169 0.452 0.894 0.941 0.765 CA 1.833 18 residues pruned to eliminate duplicates Z: 21 25.701 1.926 0.721 0.845 0.850 0.450 CA 1.517 21 residues pruned to eliminate duplicates 7 1.704 1.512 -0.039 0.210 0.667 0.333 N 1.011 ? Z: 29 13.136 1.831 0.408 0.388 0.786 0.357 CB 1.380 28 residues pruned to eliminate duplicates Z: 23 10.086 1.697 0.409 0.302 0.818 0.591 CA 1.371 23 residues pruned to eliminate duplicates Z: 14 12.991 1.882 0.437 0.534 0.923 0.538 CB 1.396 13 residues pruned to eliminate duplicates Z: 8 2.531 1.444 0.316 0.308 0.714 0.429 CB 0.873 Z: 16 10.020 1.780 0.063 0.514 1.000 0.667 CB 1.349 16 residues pruned to eliminate duplicates Z: 10 5.071 1.605 0.161 0.500 0.889 0.444 CB 1.020 Z: 6 3.466 1.325 0.295 0.692 1.000 0.600 CB 0.758 Z: 11 4.497 1.584 0.063 0.347 0.900 0.600 CB 1.108 Z: 6 7.272 1.867 0.584 0.635 1.000 0.800 CA 0.969 6 residues pruned to eliminate duplicates Z: 6 6.331 2.020 0.097 0.558 0.800 0.400 CA 1.510 Z: 7 3.792 1.508 -0.036 0.451 1.000 0.333 N 1.120 Z: 21 19.897 2.026 0.355 0.534 1.000 0.600 N 1.568 21 residues pruned to eliminate duplicates Z: 6 3.194 1.507 0.064 0.471 1.000 0.600 CB 0.918 Z: 10 11.205 1.969 0.168 0.806 1.000 0.889 CA 1.244 10 residues pruned to eliminate duplicates Z: 6 4.117 1.672 -0.136 0.476 1.000 0.600 N 1.307 6 residues pruned to eliminate duplicates Z: 6 4.152 1.385 0.732 0.336 0.800 0.400 CB 1.158 Z: 10 9.293 1.873 0.766 0.431 0.889 0.667 CA 1.131 10 residues pruned to eliminate duplicates Z: 7 7.406 1.503 0.659 0.890 1.000 0.833 CB 0.873 7 residues pruned to eliminate duplicates Z: 7 2.934 1.452 0.312 0.320 0.667 0.333 N 1.150 Z: 18 6.083 1.820 0.201 0.259 0.824 0.412 CB 1.080 6 residues pruned to eliminate duplicates Z: 80 32.869 2.157 0.526 0.450 0.797 0.430 CB 1.484 80 residues pruned to eliminate duplicates Z: 6 3.831 1.153 0.651 0.763 1.000 0.800 CB 0.713 Z: 6 3.693 1.389 0.231 0.315 1.000 0.600 CA 1.185 Z: 10 5.675 1.794 0.664 0.431 0.889 0.556 CB 0.766 13 residues pruned to eliminate duplicates Z: 20 17.831 2.043 0.279 0.556 0.947 0.632 CA 1.565 20 residues pruned to eliminate duplicates Z: 10 5.529 1.784 0.168 0.349 0.778 0.556 N 1.339 10 residues pruned to eliminate duplicates Z: 17 9.890 1.875 0.280 0.421 0.812 0.438 CB 1.376 15 residues pruned to eliminate duplicates Z: 8 3.744 1.593 0.014 0.475 0.857 0.429 N 1.049 8 residues pruned to eliminate duplicates Z: 16 6.435 1.797 -0.003 0.463 0.933 0.533 CB 1.032 15 residues pruned to eliminate duplicates Z: 6 6.065 1.699 0.417 0.738 1.000 0.800 CB 0.910 7 residues pruned to eliminate duplicates Z: 8 6.310 1.730 0.275 0.425 0.857 0.714 N 1.363 8 residues pruned to eliminate duplicates Z: 8 3.344 1.180 0.606 0.431 0.857 0.286 CB 0.836 Z: 6 2.524 1.148 0.638 0.693 1.000 0.800 CA 0.503 Z: 9 10.004 1.932 0.682 0.380 0.875 0.625 CA 1.414 9 residues pruned to eliminate duplicates Z: 7 12.157 1.833 0.658 0.753 1.000 0.667 CA 1.303 7 residues pruned to eliminate duplicates 6 -0.160 1.312 0.439 0.720 0.800 0.600 CB-0.039 ? Z: 9 3.390 1.384 0.466 0.311 0.875 0.375 CB 0.832 Z: 7 8.451 1.741 0.466 0.659 1.000 0.667 CA 1.166 7 residues pruned to eliminate duplicates 6 1.520 1.108 0.721 0.379 0.600 0.400 CA 0.676 ? Z: 8 4.581 1.484 0.484 0.385 0.857 0.571 CB 1.036 6 1.426 1.486 -0.041 0.297 0.600 0.600 CB 0.935 ? Z: 21 8.826 1.985 0.051 0.375 0.750 0.450 CB 1.442 21 residues pruned to eliminate duplicates 6 1.904 1.129 0.582 0.445 0.800 0.400 C 0.631 ? Z: 7 3.546 1.303 0.814 0.365 0.833 0.500 CA 0.850 6 1.681 1.415 0.007 0.314 0.600 0.400 CA 1.081 ? Z: 10 12.833 1.835 0.593 0.846 1.000 0.667 CA 1.087 10 residues pruned to eliminate duplicates Z: 7 3.817 1.398 0.653 0.447 0.833 0.333 CB 0.855 Z: 6 2.728 1.136 0.648 0.374 1.000 0.400 CB 0.745 Z: 7 2.677 1.278 0.191 0.483 0.667 0.333 O 1.096 Using tripeptides from previous cycle as seeds Z: 6 5.329 1.691 0.564 0.421 0.800 0.600 CA 1.223 6 residues pruned to eliminate duplicates Z: 12 12.061 2.032 0.253 0.493 1.000 0.727 CB 1.438 12 residues pruned to eliminate duplicates Z: 14 9.154 1.890 0.391 0.432 0.846 0.615 CB 1.225 14 residues pruned to eliminate duplicates Z: 7 5.153 1.545 0.398 0.459 1.000 0.333 CB 1.015 6 residues pruned to eliminate duplicates Z: 6 5.712 1.674 0.784 0.444 1.000 0.400 CA 0.906 6 residues pruned to eliminate duplicates Z: 13 11.211 2.091 0.154 0.514 0.833 0.583 CA 1.586 13 residues pruned to eliminate duplicates Z: 13 12.101 2.061 0.121 0.512 0.917 0.583 CA 1.630 13 residues pruned to eliminate duplicates Z: 13 12.880 2.088 0.261 0.510 0.833 0.667 CA 1.678 13 residues pruned to eliminate duplicates Z: 13 12.442 1.991 0.312 0.480 0.917 0.417 CA 1.531 13 residues pruned to eliminate duplicates Z: 12 13.041 2.041 0.469 0.493 0.909 0.636 N 1.452 13 residues pruned to eliminate duplicates Z: 6 4.297 1.648 0.292 0.264 1.000 0.400 C 1.182 6 residues pruned to eliminate duplicates Z: 23 9.462 1.922 0.121 0.355 0.864 0.500 CB 1.268 23 residues pruned to eliminate duplicates Z: 23 11.850 1.892 0.254 0.393 0.909 0.500 CB 1.311 23 residues pruned to eliminate duplicates Z: 14 8.633 1.954 0.161 0.348 0.923 0.308 CB 1.348 14 residues pruned to eliminate duplicates Z: 19 8.909 1.974 0.180 0.380 0.778 0.444 CB 1.318 19 residues pruned to eliminate duplicates Z: 25 10.696 1.867 0.177 0.376 0.958 0.500 CB 1.183 25 residues pruned to eliminate duplicates Z: 21 9.823 1.930 0.107 0.364 0.850 0.450 CB 1.399 21 residues pruned to eliminate duplicates Z: 13 6.322 1.732 0.279 0.322 0.833 0.167 CB 1.203 13 residues pruned to eliminate duplicates Z: 20 9.009 1.948 0.129 0.324 0.842 0.474 CB 1.355 20 residues pruned to eliminate duplicates Z: 27 12.645 1.854 0.313 0.417 0.846 0.423 CB 1.314 27 residues pruned to eliminate duplicates Z: 27 10.381 1.795 0.212 0.319 0.846 0.462 CB 1.351 27 residues pruned to eliminate duplicates Z: 20 10.977 1.883 0.217 0.328 0.895 0.368 CB 1.484 20 residues pruned to eliminate duplicates Z: 7 4.621 1.678 0.150 0.512 0.667 0.333 C 1.449 Z: 10 5.197 1.658 0.342 0.331 0.778 0.222 CB 1.205 7 residues pruned to eliminate duplicates Z: 6 5.896 1.573 0.197 0.751 1.000 0.600 CA 1.120 7 residues pruned to eliminate duplicates Z: 9 5.726 1.520 0.136 0.664 0.875 0.375 CA 1.151 8 residues pruned to eliminate duplicates Z: 6 4.347 1.792 0.635 0.435 0.800 0.600 CB 0.887 6 residues pruned to eliminate duplicates Z: 10 15.976 2.154 0.694 0.539 0.778 0.333 CA 1.805 12 residues pruned to eliminate duplicates Z: 7 7.584 1.567 0.665 0.445 1.000 0.667 C 1.255 7 residues pruned to eliminate duplicates Z: 8 5.236 2.042 -0.040 0.197 0.857 0.286 CB 1.689 6 residues pruned to eliminate duplicates Z: 6 4.997 1.797 0.335 0.319 0.800 0.600 O 1.422 6 residues pruned to eliminate duplicates Z: 6 2.001 1.939 -0.124 0.100 0.600 0.400 CB 1.465 6 residues pruned to eliminate duplicates Z: 9 13.490 2.211 0.513 0.596 0.750 0.500 CA 1.734 10 residues pruned to eliminate duplicates Z: 6 2.853 1.676 0.555 0.302 0.800 0.600 CA 0.762 6 residues pruned to eliminate duplicates Z: 13 11.233 1.887 0.532 0.357 0.917 0.417 CA 1.428 13 residues pruned to eliminate duplicates Z: 13 10.395 1.879 0.632 0.327 0.750 0.500 CA 1.579 13 residues pruned to eliminate duplicates Z: 14 11.123 1.986 0.612 0.324 0.769 0.462 CB 1.520 17 residues pruned to eliminate duplicates Z: 9 7.036 1.548 0.329 0.719 1.000 0.500 CA 0.992 7 residues pruned to eliminate duplicates Z: 9 6.891 1.640 0.578 0.551 0.875 0.250 CA 1.023 9 residues pruned to eliminate duplicates Z: 9 9.084 1.716 0.392 0.638 1.000 0.500 CA 1.182 9 residues pruned to eliminate duplicates Z: 9 2.985 1.586 0.670 0.516 0.750 0.375 CA 0.523 9 residues pruned to eliminate duplicates Z: 8 9.283 2.019 0.403 0.521 0.857 0.714 CA 1.415 Z: 18 12.361 1.962 0.221 0.449 0.882 0.471 CA 1.495 32 residues pruned to eliminate duplicates Z: 6 4.042 1.600 0.373 0.213 1.000 0.400 N 1.154 6 residues pruned to eliminate duplicates Z: 15 11.875 1.896 0.360 0.501 0.857 0.357 CA 1.434 15 residues pruned to eliminate duplicates Z: 10 10.061 1.842 0.288 0.538 1.000 0.444 CA 1.363 10 residues pruned to eliminate duplicates Z: 20 12.392 1.944 0.256 0.387 0.947 0.474 CB 1.385 27 residues pruned to eliminate duplicates Z: 6 3.707 1.579 0.440 0.209 1.000 0.600 CB 1.029 6 residues pruned to eliminate duplicates Z: 17 7.074 1.888 0.174 0.382 0.875 0.312 CB 1.034 17 residues pruned to eliminate duplicates Z: 20 7.073 1.885 0.193 0.328 0.842 0.368 CB 1.034 20 residues pruned to eliminate duplicates Z: 22 8.729 1.900 0.323 0.380 0.810 0.476 CB 1.064 25 residues pruned to eliminate duplicates Z: 8 4.860 1.881 0.091 0.398 0.857 0.429 CB 1.162 8 residues pruned to eliminate duplicates Z: 22 7.857 1.866 0.082 0.357 0.810 0.381 CB 1.223 21 residues pruned to eliminate duplicates Z: 6 2.322 1.646 0.265 0.333 0.800 0.600 CA 0.748 6 residues pruned to eliminate duplicates Z: 19 8.216 1.951 0.269 0.338 0.833 0.444 CB 1.120 19 residues pruned to eliminate duplicates Z: 8 3.488 1.685 0.212 0.496 0.857 0.429 CB 0.756 7 residues pruned to eliminate duplicates Z: 10 7.202 1.702 0.410 0.563 0.889 0.556 CB 1.059 7 residues pruned to eliminate duplicates Z: 9 6.606 1.668 0.466 0.558 0.875 0.500 CB 1.032 9 residues pruned to eliminate duplicates Z: 32 10.028 1.726 0.320 0.332 0.871 0.355 CB 1.091 29 residues pruned to eliminate duplicates Z: 12 5.710 1.709 0.183 0.511 0.909 0.636 CB 0.927 12 residues pruned to eliminate duplicates Z: 23 9.012 1.879 0.293 0.395 0.864 0.455 CB 1.023 23 residues pruned to eliminate duplicates Z: 23 8.579 1.783 0.198 0.330 0.955 0.636 CB 1.081 23 residues pruned to eliminate duplicates Z: 7 5.382 1.779 -0.052 0.475 1.000 0.333 CB 1.336 5 residues pruned to eliminate duplicates Z: 9 5.968 1.588 0.207 0.428 1.000 0.500 CB 1.187 7 residues pruned to eliminate duplicates Z: 7 3.628 1.350 0.305 0.240 1.000 0.167 O 1.135 7 residues pruned to eliminate duplicates Z: 6 3.611 1.733 -0.063 0.527 0.800 0.600 CB 1.210 6 residues pruned to eliminate duplicates Z: 13 4.842 1.614 -0.002 0.378 0.833 0.417 CB 1.187 13 residues pruned to eliminate duplicates Z: 24 16.651 2.033 0.518 0.400 0.913 0.522 CA 1.369 24 residues pruned to eliminate duplicates Z: 31 26.168 2.063 0.570 0.605 1.000 0.700 CA 1.335 31 residues pruned to eliminate duplicates Z: 14 11.801 1.980 0.428 0.367 1.000 0.615 CB 1.334 14 residues pruned to eliminate duplicates Z: 15 7.443 1.873 0.556 0.240 0.929 0.357 CB 0.993 15 residues pruned to eliminate duplicates Z: 31 21.528 2.027 0.512 0.560 0.933 0.733 CA 1.297 31 residues pruned to eliminate duplicates Z: 30 21.068 2.009 0.570 0.542 0.931 0.621 CB 1.279 30 residues pruned to eliminate duplicates Z: 25 18.466 2.004 0.482 0.417 1.000 0.667 CB 1.384 25 residues pruned to eliminate duplicates Z: 7 6.346 1.763 0.545 0.472 1.000 0.500 CB 0.979 7 residues pruned to eliminate duplicates Z: 24 19.411 1.976 0.607 0.417 1.000 0.696 CB 1.390 24 residues pruned to eliminate duplicates Z: 24 17.342 2.015 0.529 0.392 0.957 0.609 CB 1.376 24 residues pruned to eliminate duplicates Z: 24 16.528 2.049 0.463 0.426 0.957 0.609 CB 1.298 24 residues pruned to eliminate duplicates Z: 31 25.683 2.063 0.726 0.676 1.000 0.700 CA 1.120 31 residues pruned to eliminate duplicates Z: 61 27.425 2.004 0.425 0.532 0.950 0.550 CA 1.265 57 residues pruned to eliminate duplicates Z: 20 19.717 1.850 0.824 0.849 0.947 0.895 CA 1.049 20 residues pruned to eliminate duplicates Z: 28 18.794 1.981 0.572 0.529 0.926 0.741 CB 1.219 28 residues pruned to eliminate duplicates Z: 32 24.470 2.067 0.449 0.601 0.968 0.806 CA 1.377 32 residues pruned to eliminate duplicates Z: 34 29.764 2.090 0.701 0.638 0.939 0.667 CA 1.364 34 residues pruned to eliminate duplicates Z: 32 29.056 2.066 0.629 0.713 0.968 0.613 CA 1.322 32 residues pruned to eliminate duplicates Z: 33 26.418 2.067 0.638 0.628 0.969 0.656 CA 1.263 33 residues pruned to eliminate duplicates Z: 12 17.087 2.073 0.966 0.781 0.909 0.818 CA 1.086 12 residues pruned to eliminate duplicates Z: 14 14.141 2.073 0.519 0.742 0.846 0.462 CA 1.185 14 residues pruned to eliminate duplicates Z: 17 18.308 1.858 1.000 0.651 0.875 0.688 CA 1.223 17 residues pruned to eliminate duplicates Z: 24 21.629 2.032 0.774 0.663 0.913 0.435 CA 1.179 24 residues pruned to eliminate duplicates Z: 49 27.142 2.008 0.502 0.568 0.938 0.500 CA 1.298 49 residues pruned to eliminate duplicates Z: 32 24.893 2.069 0.737 0.674 0.871 0.484 CA 1.217 32 residues pruned to eliminate duplicates Z: 23 22.563 2.043 0.755 0.703 0.955 0.273 CA 1.168 23 residues pruned to eliminate duplicates Z: 24 20.078 1.995 0.861 0.654 0.913 0.304 CA 1.070 24 residues pruned to eliminate duplicates Z: 18 23.601 2.147 0.851 0.854 0.824 0.588 CA 1.291 18 residues pruned to eliminate duplicates Z: 34 22.376 2.024 0.630 0.602 0.909 0.485 CA 1.178 34 residues pruned to eliminate duplicates Z: 60 30.924 2.012 0.561 0.548 0.915 0.458 CB 1.336 60 residues pruned to eliminate duplicates Z: 41 30.682 2.068 0.669 0.587 0.925 0.500 CA 1.398 41 residues pruned to eliminate duplicates Z: 23 19.481 1.986 0.754 0.633 0.864 0.227 CA 1.219 23 residues pruned to eliminate duplicates Z: 48 25.461 2.037 0.549 0.585 0.809 0.404 CA 1.342 48 residues pruned to eliminate duplicates Z: 26 12.423 2.010 0.158 0.484 0.840 0.400 CB 1.291 26 residues pruned to eliminate duplicates Z: 68 33.958 2.021 0.629 0.498 0.910 0.493 CA 1.386 69 residues pruned to eliminate duplicates Z: 13 13.529 1.971 0.306 0.736 1.000 0.500 CA 1.227 13 residues pruned to eliminate duplicates Z: 39 24.383 2.050 0.583 0.625 0.816 0.368 CA 1.329 39 residues pruned to eliminate duplicates Z: 20 11.903 1.998 0.372 0.492 0.842 0.474 CB 1.193 20 residues pruned to eliminate duplicates Z: 25 14.041 2.034 0.284 0.535 0.833 0.375 CB 1.273 25 residues pruned to eliminate duplicates Z: 18 10.851 2.004 0.191 0.536 0.824 0.412 CB 1.292 18 residues pruned to eliminate duplicates Z: 17 12.593 2.062 0.283 0.551 0.875 0.375 CB 1.293 17 residues pruned to eliminate duplicates Z: 19 13.660 2.026 0.383 0.563 0.889 0.389 CB 1.216 19 residues pruned to eliminate duplicates Z: 17 12.501 2.068 0.315 0.550 0.938 0.375 CB 1.168 17 residues pruned to eliminate duplicates Z: 24 15.093 2.024 0.323 0.442 0.913 0.391 CA 1.367 24 residues pruned to eliminate duplicates Z: 17 12.398 2.052 0.285 0.582 0.812 0.312 CB 1.337 17 residues pruned to eliminate duplicates Z: 38 22.074 2.013 0.502 0.592 0.865 0.351 CB 1.272 38 residues pruned to eliminate duplicates Z: 9 5.919 2.059 0.425 0.432 0.625 0.125 CB 1.225 9 residues pruned to eliminate duplicates Z: 16 13.020 2.072 0.243 0.579 0.867 0.400 CB 1.396 16 residues pruned to eliminate duplicates 8 1.290 1.815 0.083 0.178 0.571 0.143 CB 0.641 ? Z: 26 11.246 1.848 0.307 0.254 0.920 0.240 CB 1.343 26 residues pruned to eliminate duplicates Z: 9 2.186 1.841 0.175 0.148 0.625 0.125 CB 0.883 9 residues pruned to eliminate duplicates Z: 20 7.935 1.821 0.294 0.206 0.789 0.316 CA 1.386 20 residues pruned to eliminate duplicates Z: 13 4.479 1.721 0.292 0.289 0.750 0.167 CB 0.983 13 residues pruned to eliminate duplicates Z: 14 5.273 1.773 0.246 0.228 0.846 0.308 N 1.075 14 residues pruned to eliminate duplicates Z: 12 9.572 1.908 0.684 0.367 0.727 0.455 N 1.424 33 residues pruned to eliminate duplicates Z: 11 7.007 1.856 0.474 0.222 0.800 0.400 CA 1.402 11 residues pruned to eliminate duplicates Z: 41 26.327 2.001 0.461 0.533 0.925 0.500 CA 1.491 41 residues pruned to eliminate duplicates Z: 53 29.665 1.971 0.525 0.515 0.904 0.538 CA 1.491 53 residues pruned to eliminate duplicates Z: 39 29.452 2.044 0.556 0.528 0.921 0.632 CA 1.586 39 residues pruned to eliminate duplicates Z: 60 28.563 1.882 0.544 0.492 0.898 0.559 CA 1.436 45 residues pruned to eliminate duplicates Z: 11 6.476 1.828 0.027 0.556 0.900 0.700 CB 1.148 11 residues pruned to eliminate duplicates Z: 28 24.214 2.088 0.447 0.631 0.963 0.778 CA 1.416 28 residues pruned to eliminate duplicates Z: 40 21.328 1.882 0.423 0.556 0.897 0.564 CA 1.345 40 residues pruned to eliminate duplicates Z: 47 27.542 1.962 0.446 0.531 0.891 0.543 CA 1.557 47 residues pruned to eliminate duplicates Z: 30 22.623 1.997 0.514 0.598 0.931 0.621 CA 1.359 30 residues pruned to eliminate duplicates Z: 29 20.297 2.031 0.375 0.649 0.929 0.714 CA 1.288 29 residues pruned to eliminate duplicates Z: 35 25.441 2.008 0.467 0.678 0.941 0.676 CA 1.336 35 residues pruned to eliminate duplicates Z: 35 25.937 2.032 0.462 0.635 0.882 0.676 CA 1.496 35 residues pruned to eliminate duplicates Z: 31 31.011 2.026 0.616 0.699 0.900 0.533 CA 1.603 31 residues pruned to eliminate duplicates Z: 30 29.099 2.090 0.540 0.634 0.966 0.724 CB 1.534 30 residues pruned to eliminate duplicates Z: 33 33.186 2.087 0.527 0.710 0.969 0.719 CA 1.570 33 residues pruned to eliminate duplicates Z: 54 33.511 2.002 0.579 0.523 0.925 0.509 CA 1.540 54 residues pruned to eliminate duplicates Z: 41 34.872 2.016 0.679 0.646 0.925 0.650 CA 1.536 47 residues pruned to eliminate duplicates Z: 22 32.409 2.034 0.689 0.832 0.952 0.476 CA 1.623 22 residues pruned to eliminate duplicates Z: 33 31.421 2.059 0.604 0.661 0.938 0.594 CA 1.545 33 residues pruned to eliminate duplicates Z: 56 35.361 1.941 0.680 0.551 0.891 0.527 CA 1.562 56 residues pruned to eliminate duplicates Z: 44 30.786 1.963 0.614 0.573 0.930 0.488 CA 1.485 42 residues pruned to eliminate duplicates Z: 9 15.102 1.828 0.860 0.826 0.875 0.500 CB 1.354 9 residues pruned to eliminate duplicates Z: 46 25.565 1.892 0.468 0.560 0.889 0.333 CB 1.456 46 residues pruned to eliminate duplicates Z: 37 29.804 1.996 0.566 0.666 0.917 0.472 CA 1.487 37 residues pruned to eliminate duplicates Z: 23 11.563 1.772 0.544 0.333 0.773 0.364 CB 1.399 22 residues pruned to eliminate duplicates Z: 23 34.885 2.042 0.703 0.817 0.955 0.455 CA 1.701 23 residues pruned to eliminate duplicates Z: 47 22.974 1.902 0.517 0.477 0.870 0.413 CA 1.383 47 residues pruned to eliminate duplicates Z: 12 6.223 1.682 0.428 0.246 0.818 0.273 CB 1.280 12 residues pruned to eliminate duplicates Z: 12 7.545 1.714 0.450 0.212 1.000 0.091 CA 1.285 12 residues pruned to eliminate duplicates Z: 9 10.666 2.236 -0.095 0.838 0.875 0.625 CB 1.592 9 residues pruned to eliminate duplicates Z: 56 41.354 2.234 0.558 0.600 0.982 0.527 CB 1.483 56 residues pruned to eliminate duplicates Z: 40 37.357 2.261 0.609 0.624 0.949 0.410 CB 1.543 40 residues pruned to eliminate duplicates Z: 42 37.459 2.291 0.481 0.686 0.951 0.439 CB 1.528 42 residues pruned to eliminate duplicates Z: 25 22.629 2.243 0.386 0.519 0.958 0.542 CB 1.521 25 residues pruned to eliminate duplicates Z: 11 8.796 2.198 0.312 0.254 1.000 0.100 CB 1.279 11 residues pruned to eliminate duplicates Z: 48 42.621 2.280 0.524 0.660 0.979 0.511 CB 1.577 48 residues pruned to eliminate duplicates Z: 26 11.058 1.883 0.365 0.323 0.800 0.440 CB 1.306 26 residues pruned to eliminate duplicates Z: 27 13.587 2.087 0.447 0.433 0.808 0.308 CB 1.171 27 residues pruned to eliminate duplicates Z: 31 23.066 2.242 0.533 0.315 0.900 0.433 CB 1.671 31 residues pruned to eliminate duplicates Z: 59 26.169 2.159 0.466 0.343 0.845 0.448 CB 1.524 63 residues pruned to eliminate duplicates Z: 7 4.716 1.767 0.406 0.543 0.667 0.000 CB 1.115 7 residues pruned to eliminate duplicates Z: 30 16.140 2.232 0.379 0.276 0.793 0.414 CB 1.581 30 residues pruned to eliminate duplicates Z: 32 20.879 2.264 0.464 0.320 0.871 0.419 CB 1.585 32 residues pruned to eliminate duplicates Z: 16 11.157 2.084 0.600 0.338 0.733 0.533 CA 1.406 16 residues pruned to eliminate duplicates Z: 63 27.236 2.139 0.507 0.347 0.855 0.355 CB 1.481 63 residues pruned to eliminate duplicates Z: 29 16.782 2.191 0.335 0.271 0.893 0.429 CA 1.575 29 residues pruned to eliminate duplicates Z: 60 25.144 2.195 0.387 0.340 0.814 0.492 CB 1.574 60 residues pruned to eliminate duplicates Z: 41 22.314 2.189 0.499 0.313 0.850 0.475 CA 1.556 41 residues pruned to eliminate duplicates Z: 83 40.636 2.206 0.469 0.510 0.890 0.549 CB 1.541 83 residues pruned to eliminate duplicates Z: 73 34.869 2.201 0.493 0.420 0.931 0.500 CB 1.460 73 residues pruned to eliminate duplicates Z: 86 42.905 2.215 0.492 0.506 0.918 0.388 CB 1.525 86 residues pruned to eliminate duplicates Z: 47 20.059 2.080 0.408 0.302 0.891 0.500 CB 1.412 47 residues pruned to eliminate duplicates Z: 49 22.011 2.143 0.366 0.329 0.833 0.375 CB 1.570 49 residues pruned to eliminate duplicates Z: 55 23.516 2.146 0.400 0.334 0.833 0.407 CB 1.533 51 residues pruned to eliminate duplicates Z: 7 5.944 1.452 0.845 0.382 0.833 0.167 CA 1.233 Z: 6 4.936 1.623 0.588 0.358 0.800 0.400 CA 1.247 13 residues pruned to eliminate duplicates Z: 29 18.056 2.157 0.401 0.334 0.893 0.464 CB 1.516 29 residues pruned to eliminate duplicates Z: 35 18.466 2.224 0.394 0.314 0.794 0.500 CA 1.579 35 residues pruned to eliminate duplicates Z: 83 27.780 2.128 0.384 0.347 0.829 0.329 CB 1.483 83 residues pruned to eliminate duplicates Z: 56 19.596 2.093 0.349 0.272 0.836 0.382 CB 1.449 56 residues pruned to eliminate duplicates Z: 23 15.850 2.281 0.342 0.297 0.818 0.364 CA 1.693 23 residues pruned to eliminate duplicates Z: 56 22.476 2.148 0.416 0.296 0.818 0.400 CB 1.529 56 residues pruned to eliminate duplicates Z: 41 21.694 2.167 0.335 0.337 0.900 0.325 CB 1.574 41 residues pruned to eliminate duplicates Z: 54 21.282 2.186 0.296 0.354 0.811 0.453 CB 1.490 54 residues pruned to eliminate duplicates Z: 107 43.942 2.206 0.374 0.440 0.925 0.434 CB 1.621 55 residues pruned to eliminate duplicates Z: 6 3.840 1.814 0.659 0.318 0.600 0.200 CA 1.162 6 residues pruned to eliminate duplicates Z: 91 46.243 2.230 0.568 0.483 0.889 0.467 CB 1.595 91 residues pruned to eliminate duplicates Z: 75 26.059 2.139 0.409 0.352 0.811 0.419 CB 1.455 75 residues pruned to eliminate duplicates Z: 14 11.013 1.891 0.656 0.302 0.923 0.538 CA 1.318 14 residues pruned to eliminate duplicates Z: 28 16.257 2.088 0.336 0.389 0.815 0.444 CB 1.550 28 residues pruned to eliminate duplicates Z: 41 21.167 2.186 0.441 0.302 0.825 0.450 CA 1.606 41 residues pruned to eliminate duplicates Z: 20 13.033 2.065 0.403 0.339 0.842 0.316 CB 1.460 20 residues pruned to eliminate duplicates Z: 19 15.561 2.103 0.621 0.315 0.889 0.389 CB 1.486 19 residues pruned to eliminate duplicates Z: 20 9.184 2.041 0.255 0.321 0.737 0.368 CB 1.358 20 residues pruned to eliminate duplicates Z: 29 13.669 2.084 0.421 0.286 0.786 0.357 CB 1.412 29 residues pruned to eliminate duplicates Z: 61 23.626 2.128 0.480 0.280 0.800 0.417 CB 1.553 61 residues pruned to eliminate duplicates Z: 58 24.346 2.146 0.502 0.275 0.825 0.421 CB 1.567 58 residues pruned to eliminate duplicates Z: 60 21.864 2.112 0.420 0.330 0.797 0.373 CB 1.436 60 residues pruned to eliminate duplicates Z: 72 28.716 2.192 0.298 0.394 0.887 0.465 CB 1.510 12 residues pruned to eliminate duplicates Z: 8 5.195 1.536 0.353 0.510 0.857 0.714 N 1.091 8 residues pruned to eliminate duplicates Z: 34 15.510 2.011 0.348 0.324 0.848 0.424 CB 1.424 34 residues pruned to eliminate duplicates Z: 51 22.144 2.180 0.365 0.294 0.840 0.340 CA 1.579 51 residues pruned to eliminate duplicates Z: 96 40.722 2.198 0.500 0.434 0.884 0.400 CB 1.535 73 residues pruned to eliminate duplicates Z: 22 31.881 2.242 0.363 0.835 0.952 0.857 CB 1.790 22 residues pruned to eliminate duplicates Z: 58 39.749 2.122 0.430 0.622 0.947 0.579 CB 1.633 78 residues pruned to eliminate duplicates Z: 19 33.711 2.177 0.517 0.918 1.000 0.722 CB 1.697 19 residues pruned to eliminate duplicates Z: 18 31.279 2.284 0.590 0.698 1.000 0.471 CB 1.744 18 residues pruned to eliminate duplicates Z: 42 29.558 2.239 0.231 0.663 0.927 0.585 CB 1.554 42 residues pruned to eliminate duplicates Z: 24 25.037 2.229 0.448 0.613 0.870 0.478 CA 1.672 24 residues pruned to eliminate duplicates Z: 49 39.644 2.263 0.534 0.653 0.938 0.583 CB 1.525 49 residues pruned to eliminate duplicates Z: 38 36.429 2.240 0.499 0.635 0.946 0.568 CB 1.661 38 residues pruned to eliminate duplicates Z: 18 25.458 2.217 0.529 0.680 0.941 0.412 CB 1.640 18 residues pruned to eliminate duplicates Z: 35 34.534 2.295 0.341 0.705 0.971 0.529 CB 1.646 35 residues pruned to eliminate duplicates Z: 42 39.978 2.267 0.420 0.704 1.000 0.659 CB 1.611 42 residues pruned to eliminate duplicates Z: 42 39.933 2.261 0.404 0.693 1.000 0.634 CB 1.647 42 residues pruned to eliminate duplicates Z: 51 38.458 2.279 0.382 0.631 0.980 0.540 CB 1.558 46 residues pruned to eliminate duplicates Z: 23 28.942 2.058 0.402 0.821 0.955 0.545 CB 1.696 23 residues pruned to eliminate duplicates Z: 42 39.089 2.267 0.413 0.711 0.976 0.707 CB 1.614 42 residues pruned to eliminate duplicates Z: 53 34.554 2.221 0.488 0.600 0.904 0.500 CB 1.459 53 residues pruned to eliminate duplicates Z: 83 31.788 2.131 0.475 0.474 0.829 0.476 CB 1.383 49 residues pruned to eliminate duplicates Z: 16 18.754 1.977 0.394 0.803 0.867 0.667 CB 1.556 16 residues pruned to eliminate duplicates Z: 46 38.969 2.254 0.532 0.639 0.956 0.533 CB 1.546 46 residues pruned to eliminate duplicates Z: 35 34.233 2.238 0.590 0.629 0.971 0.529 CB 1.506 35 residues pruned to eliminate duplicates Z: 54 30.865 2.204 0.442 0.576 0.887 0.528 CB 1.398 54 residues pruned to eliminate duplicates Z: 48 43.876 2.277 0.622 0.679 0.979 0.511 CB 1.502 48 residues pruned to eliminate duplicates Z: 52 44.376 2.245 0.704 0.606 0.941 0.529 CB 1.560 51 residues pruned to eliminate duplicates Z: 12 17.717 2.235 0.248 0.658 1.000 0.455 CB 1.655 12 residues pruned to eliminate duplicates Z: 51 38.687 2.259 0.496 0.618 0.960 0.400 CB 1.508 51 residues pruned to eliminate duplicates Z: 43 34.915 2.286 0.567 0.662 0.857 0.476 CB 1.510 43 residues pruned to eliminate duplicates Z: 44 34.095 2.211 0.631 0.645 0.907 0.419 CB 1.388 44 residues pruned to eliminate duplicates Z: 43 34.156 2.239 0.489 0.649 0.929 0.500 CB 1.481 43 residues pruned to eliminate duplicates Z: 10 3.785 1.895 0.343 0.142 0.778 0.444 CB 0.994 6 1.135 1.636 0.245 0.100 0.800 0.200 CB 0.519 ? Z: 6 3.361 1.655 0.458 0.324 0.600 0.400 CA 1.261 6 residues pruned to eliminate duplicates Z: 6 4.324 1.580 1.191 0.366 0.800 0.400 CA 0.806 Z: 13 13.107 1.948 0.207 0.657 1.000 0.750 CA 1.390 Z: 11 18.781 2.044 0.398 0.757 1.000 0.400 CA 1.653 13 residues pruned to eliminate duplicates Z: 10 17.161 1.917 0.416 0.850 1.000 0.556 CA 1.561 10 residues pruned to eliminate duplicates Z: 18 29.326 2.108 0.569 0.753 1.000 0.706 CA 1.716 17 residues pruned to eliminate duplicates Z: 10 13.014 1.815 0.566 0.782 0.778 0.778 CA 1.531 10 residues pruned to eliminate duplicates Z: 83 39.514 2.123 0.532 0.517 0.890 0.415 CB 1.482 92 residues pruned to eliminate duplicates Z: 9 13.037 2.004 0.153 0.834 1.000 0.750 CA 1.495 Z: 10 21.416 1.988 0.615 0.877 1.000 0.889 CA 1.615 9 residues pruned to eliminate duplicates Z: 11 16.702 1.850 0.424 0.891 1.000 0.900 CA 1.441 10 residues pruned to eliminate duplicates Z: 10 13.380 1.878 0.275 0.779 0.889 0.556 CA 1.639 10 residues pruned to eliminate duplicates Z: 36 23.482 2.066 0.526 0.524 0.829 0.571 CB 1.484 32 residues pruned to eliminate duplicates Z: 17 18.871 2.189 0.331 0.790 0.938 0.688 CB 1.339 17 residues pruned to eliminate duplicates Z: 9 8.009 2.010 0.387 0.365 1.000 0.375 CB 1.174 9 residues pruned to eliminate duplicates Z: 36 24.210 2.058 0.442 0.546 0.943 0.457 CB 1.398 38 residues pruned to eliminate duplicates Z: 16 15.984 2.015 0.369 0.814 0.933 0.333 CB 1.220 16 residues pruned to eliminate duplicates Z: 31 22.526 2.133 0.475 0.574 0.867 0.500 CB 1.405 31 residues pruned to eliminate duplicates Z: 21 23.896 2.218 0.442 0.695 1.000 0.600 CB 1.398 21 residues pruned to eliminate duplicates Z: 29 24.574 2.116 0.523 0.613 0.929 0.500 CB 1.393 29 residues pruned to eliminate duplicates Z: 32 24.796 2.111 0.680 0.557 0.903 0.452 CB 1.315 32 residues pruned to eliminate duplicates Z: 36 22.865 2.091 0.557 0.520 0.857 0.571 CB 1.357 36 residues pruned to eliminate duplicates Z: 18 23.563 2.108 0.675 0.897 1.000 0.471 CB 1.159 18 residues pruned to eliminate duplicates Z: 36 22.810 2.097 0.506 0.532 0.886 0.457 CB 1.336 36 residues pruned to eliminate duplicates Z: 36 20.966 2.042 0.505 0.528 0.886 0.400 CB 1.267 37 residues pruned to eliminate duplicates Z: 19 19.143 2.082 0.625 0.900 0.722 0.444 CB 1.319 19 residues pruned to eliminate duplicates Z: 23 23.297 2.171 0.609 0.647 0.909 0.455 CB 1.364 22 residues pruned to eliminate duplicates Z: 9 7.330 1.723 0.572 0.796 0.875 0.625 CB 0.844 9 residues pruned to eliminate duplicates Z: 31 21.844 2.081 0.594 0.590 0.833 0.367 CB 1.324 31 residues pruned to eliminate duplicates Z: 22 11.746 1.894 0.624 0.398 0.714 0.286 CA 1.299 22 residues pruned to eliminate duplicates Z: 21 30.808 2.113 0.828 0.828 0.950 0.500 CB 1.414 21 residues pruned to eliminate duplicates Z: 29 23.242 2.123 0.610 0.609 0.857 0.429 CB 1.352 29 residues pruned to eliminate duplicates Z: 27 18.428 2.015 0.690 0.451 0.885 0.423 CB 1.261 27 residues pruned to eliminate duplicates Z: 24 11.827 1.897 0.617 0.391 0.696 0.522 CA 1.297 24 residues pruned to eliminate duplicates Z: 10 13.124 2.053 0.981 0.689 0.889 0.444 CA 1.018 10 residues pruned to eliminate duplicates Z: 27 16.970 2.094 0.477 0.560 0.731 0.346 CB 1.390 27 residues pruned to eliminate duplicates Z: 6 4.201 1.840 0.357 0.416 0.600 0.200 CB 1.369 Z: 10 5.063 1.856 0.502 0.250 0.556 0.444 CB 1.452 16 residues pruned to eliminate duplicates Z: 6 2.440 1.512 0.045 0.320 0.800 0.600 CB 1.053 6 residues pruned to eliminate duplicates Z: 15 9.819 1.817 0.478 0.479 0.929 0.429 CA 1.075 15 residues pruned to eliminate duplicates Z: 15 10.495 1.829 0.548 0.472 0.929 0.500 CA 1.097 15 residues pruned to eliminate duplicates Z: 15 8.777 1.817 0.549 0.448 0.857 0.500 CA 1.025 15 residues pruned to eliminate duplicates Z: 22 9.946 1.842 0.449 0.361 0.714 0.429 CB 1.322 22 residues pruned to eliminate duplicates Z: 22 11.437 1.886 0.382 0.407 0.810 0.381 CA 1.303 22 residues pruned to eliminate duplicates Z: 17 10.123 1.805 0.404 0.460 0.812 0.500 CA 1.281 17 residues pruned to eliminate duplicates Z: 25 10.155 1.816 0.243 0.363 0.833 0.417 CB 1.277 23 residues pruned to eliminate duplicates Z: 9 11.064 1.956 0.642 0.484 1.000 0.500 CA 1.238 9 residues pruned to eliminate duplicates Z: 22 10.751 1.903 0.273 0.363 0.810 0.381 CA 1.387 22 residues pruned to eliminate duplicates Z: 21 11.529 1.905 0.369 0.401 0.850 0.500 CA 1.291 21 residues pruned to eliminate duplicates Z: 25 11.632 1.825 0.358 0.416 0.833 0.542 CB 1.255 24 residues pruned to eliminate duplicates Z: 6 5.589 1.745 0.574 0.383 0.800 0.400 CA 1.287 6 residues pruned to eliminate duplicates Z: 42 18.574 1.962 0.370 0.400 0.878 0.439 CB 1.365 42 residues pruned to eliminate duplicates Z: 26 18.241 2.103 0.423 0.406 0.920 0.400 CB 1.463 28 residues pruned to eliminate duplicates Z: 6 3.885 1.580 0.328 0.454 0.800 0.200 N 1.085 6 residues pruned to eliminate duplicates Z: 21 11.042 2.064 0.435 0.288 0.800 0.350 CB 1.322 21 residues pruned to eliminate duplicates Z: 30 16.703 2.019 0.356 0.383 0.862 0.345 CB 1.488 30 residues pruned to eliminate duplicates Z: 29 15.636 2.009 0.516 0.325 0.821 0.321 CB 1.431 29 residues pruned to eliminate duplicates Z: 39 17.986 1.990 0.349 0.370 0.868 0.447 CA 1.439 39 residues pruned to eliminate duplicates Z: 28 13.258 1.975 0.397 0.348 0.815 0.481 CB 1.338 28 residues pruned to eliminate duplicates Z: 30 15.822 1.986 0.389 0.393 0.862 0.483 CB 1.383 30 residues pruned to eliminate duplicates Z: 23 14.667 2.029 0.470 0.400 0.864 0.591 CB 1.350 23 residues pruned to eliminate duplicates Z: 30 15.858 2.001 0.369 0.362 0.862 0.483 CB 1.447 28 residues pruned to eliminate duplicates Z: 6 6.918 1.765 0.745 0.426 0.800 0.400 N 1.357 6 residues pruned to eliminate duplicates Z: 29 14.231 2.048 0.364 0.330 0.821 0.500 CB 1.412 29 residues pruned to eliminate duplicates Z: 31 14.155 1.939 0.401 0.366 0.800 0.567 CA 1.374 31 residues pruned to eliminate duplicates Z: 40 20.260 2.006 0.332 0.476 0.872 0.590 CB 1.427 40 residues pruned to eliminate duplicates Z: 42 19.879 1.983 0.409 0.415 0.878 0.537 CB 1.382 42 residues pruned to eliminate duplicates Z: 37 13.003 1.927 0.274 0.315 0.833 0.472 CB 1.301 37 residues pruned to eliminate duplicates Z: 42 21.631 2.022 0.342 0.427 0.927 0.561 CB 1.449 42 residues pruned to eliminate duplicates Z: 7 5.154 1.392 1.022 0.346 0.833 0.833 CA 1.060 Z: 24 15.559 1.958 0.357 0.539 0.957 0.652 CA 1.230 24 residues pruned to eliminate duplicates Z: 13 11.929 1.955 0.532 0.414 1.000 0.500 CB 1.258 13 residues pruned to eliminate duplicates Z: 14 11.537 1.912 0.454 0.352 1.000 0.385 CB 1.350 14 residues pruned to eliminate duplicates Z: 17 9.645 1.746 0.467 0.309 0.938 0.500 CB 1.241 17 residues pruned to eliminate duplicates Z: 13 11.107 1.918 0.531 0.417 1.000 0.583 CB 1.190 13 residues pruned to eliminate duplicates Z: 13 11.867 1.940 0.297 0.708 1.000 0.833 CA 1.127 13 residues pruned to eliminate duplicates Z: 7 6.934 1.591 0.865 0.536 1.000 0.667 CA 0.921 7 residues pruned to eliminate duplicates Z: 17 14.636 1.971 0.522 0.527 0.875 0.500 CA 1.357 17 residues pruned to eliminate duplicates Z: 12 11.010 2.100 0.336 0.459 0.909 0.636 CA 1.357 12 residues pruned to eliminate duplicates Z: 17 12.693 1.983 0.387 0.459 0.875 0.500 CA 1.375 17 residues pruned to eliminate duplicates Z: 19 11.811 1.887 0.328 0.517 0.833 0.778 CA 1.311 19 residues pruned to eliminate duplicates Z: 21 12.702 1.863 0.374 0.522 0.850 0.650 CA 1.277 21 residues pruned to eliminate duplicates Z: 13 14.148 2.090 0.231 0.606 1.000 0.750 CA 1.435 13 residues pruned to eliminate duplicates Z: 19 14.808 1.981 0.402 0.603 0.889 0.611 CA 1.282 19 residues pruned to eliminate duplicates Z: 17 11.722 1.911 0.399 0.497 0.875 0.750 CA 1.256 17 residues pruned to eliminate duplicates Z: 18 11.068 1.934 0.381 0.537 0.941 0.765 CA 1.030 18 residues pruned to eliminate duplicates Z: 19 13.227 1.894 0.542 0.544 0.833 0.667 CA 1.226 19 residues pruned to eliminate duplicates Z: 15 13.652 1.935 0.609 0.624 0.857 0.571 CA 1.217 15 residues pruned to eliminate duplicates Z: 19 13.725 1.988 0.479 0.597 0.889 0.611 CA 1.129 17 residues pruned to eliminate duplicates Z: 11 8.694 1.835 0.383 0.756 0.900 0.700 CA 0.958 11 residues pruned to eliminate duplicates Z: 8 5.251 1.880 0.144 0.472 1.000 0.429 N 0.950 8 residues pruned to eliminate duplicates Z: 6 3.848 1.904 0.159 0.405 0.800 0.400 CA 1.077 6 residues pruned to eliminate duplicates Z: 11 6.758 2.017 0.048 0.461 0.700 0.500 CA 1.503 17 residues pruned to eliminate duplicates Z: 11 5.847 1.903 0.043 0.380 0.900 0.700 CB 1.177 11 residues pruned to eliminate duplicates Z: 12 8.669 1.907 0.224 0.499 0.818 0.636 CB 1.371 12 residues pruned to eliminate duplicates Z: 13 6.998 1.712 0.177 0.436 0.917 0.583 N 1.168 13 residues pruned to eliminate duplicates Z: 11 9.833 1.794 0.628 0.364 0.900 0.400 CA 1.370 Z: 7 7.840 1.673 0.457 0.752 0.833 0.167 CA 1.258 7 residues pruned to eliminate duplicates Z: 20 18.709 2.115 0.209 0.522 1.000 0.684 CA 1.643 20 residues pruned to eliminate duplicates Z: 25 16.006 1.881 0.314 0.476 0.917 0.583 N 1.477 25 residues pruned to eliminate duplicates Z: 12 10.646 2.028 0.210 0.454 0.909 0.455 CA 1.509 12 residues pruned to eliminate duplicates Z: 28 13.857 1.879 0.203 0.444 0.889 0.556 CB 1.407 28 residues pruned to eliminate duplicates Z: 22 16.466 2.051 0.224 0.492 0.952 0.619 CB 1.516 22 residues pruned to eliminate duplicates Z: 21 15.354 2.034 0.227 0.523 0.850 0.550 CB 1.581 21 residues pruned to eliminate duplicates Z: 14 11.251 1.853 0.330 0.484 0.923 0.385 CB 1.394 14 residues pruned to eliminate duplicates Z: 20 20.033 2.129 0.289 0.558 0.947 0.684 CA 1.671 20 residues pruned to eliminate duplicates Z: 20 19.617 2.110 0.260 0.537 1.000 0.632 CA 1.633 20 residues pruned to eliminate duplicates Z: 21 17.442 2.037 0.345 0.521 0.950 0.600 CB 1.468 32 residues pruned to eliminate duplicates Z: 8 5.470 1.362 0.448 0.534 1.000 0.571 N 1.014 8 residues pruned to eliminate duplicates Z: 20 18.276 2.130 0.216 0.556 0.947 0.684 CA 1.618 20 residues pruned to eliminate duplicates Z: 21 17.939 2.105 0.339 0.479 0.900 0.600 CA 1.615 21 residues pruned to eliminate duplicates Z: 23 17.219 2.006 0.410 0.459 0.909 0.591 CB 1.490 23 residues pruned to eliminate duplicates Z: 18 14.753 2.004 0.549 0.478 0.824 0.647 CA 1.431 18 residues pruned to eliminate duplicates Z: 22 18.551 2.029 0.351 0.476 1.000 0.619 CB 1.514 20 residues pruned to eliminate duplicates Z: 6 2.340 1.520 0.239 0.273 0.800 0.200 N 0.898 6 residues pruned to eliminate duplicates 521 residues left after pruning, divided into chains as follows: A: 6 B: 6 C: 6 D: 7 E: 12 F: 26 G: 10 H: 12 I: 20 J: 30 K: 109 L: 6 M: 105 N: 11 O: 36 P: 25 Q: 33 R: 7 S: 18 T: 36 CC for partial structure against native data = 17.25 % ------------------------------------------------------------------------------ Global autotracing cycle 28 = 0.300, Contrast = 0.401, Connect. = 0.676 for dens.mod. cycle 1 = 0.300, Contrast = 0.465, Connect. = 0.697 for dens.mod. cycle 2 = 0.300, Contrast = 0.536, Connect. = 0.734 for dens.mod. cycle 3 = 0.300, Contrast = 0.545, Connect. = 0.739 for dens.mod. cycle 4 = 0.300, Contrast = 0.553, Connect. = 0.744 for dens.mod. cycle 5 = 0.300, Contrast = 0.558, Connect. = 0.748 for dens.mod. cycle 6 = 0.300, Contrast = 0.563, Connect. = 0.751 for dens.mod. cycle 7 = 0.300, Contrast = 0.566, Connect. = 0.753 for dens.mod. cycle 8 = 0.300, Contrast = 0.568, Connect. = 0.755 for dens.mod. cycle 9 = 0.300, Contrast = 0.569, Connect. = 0.756 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6935 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1167 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 25.540 2.321 0.792 0.874 0.889 0.778 CA 1.676 B: 14 17.439 2.129 0.419 0.849 0.923 0.769 CB 1.286 C: 10 12.229 2.085 0.224 0.534 0.889 0.667 CA 1.738 D: 6 13.296 2.307 0.812 0.539 0.800 0.600 CA 1.711 E: 21 31.782 2.097 0.602 0.865 0.950 0.800 CA 1.632 10 residues pruned to eliminate duplicates F: 21 32.270 2.222 0.397 0.879 1.000 0.800 CB 1.686 20 residues pruned to eliminate duplicates G: 21 33.415 2.177 0.616 0.833 0.950 0.350 CB 1.677 21 residues pruned to eliminate duplicates H: 21 34.885 2.270 0.454 0.874 1.000 0.800 CB 1.720 21 residues pruned to eliminate duplicates I: 23 14.364 2.030 0.204 0.468 0.864 0.545 CB 1.498 J: 14 16.632 2.135 0.165 0.894 1.000 0.923 CB 1.330 14 residues pruned to eliminate duplicates K: 22 37.455 2.228 0.479 0.891 1.000 0.619 CB 1.783 22 residues pruned to eliminate duplicates L: 18 15.078 2.213 0.410 0.321 0.882 0.471 CA 1.618 4 residues pruned to eliminate duplicates M: 20 30.476 2.262 0.384 0.898 1.000 0.789 CB 1.599 20 residues pruned to eliminate duplicates N: 12 7.849 1.964 0.226 0.483 0.818 0.818 CB 1.221 O: 20 29.630 2.222 0.450 0.836 0.842 0.579 CB 1.874 20 residues pruned to eliminate duplicates P: 20 35.952 2.273 0.490 0.886 0.947 0.895 CB 1.855 20 residues pruned to eliminate duplicates Q: 21 35.453 2.117 0.586 0.903 1.000 0.950 CA 1.684 21 residues pruned to eliminate duplicates R: 18 18.781 2.122 0.506 0.891 0.882 0.706 CB 1.161 14 residues pruned to eliminate duplicates S: 16 19.477 2.144 0.310 0.924 1.000 0.867 CB 1.257 15 residues pruned to eliminate duplicates T: 18 7.363 1.781 0.162 0.322 0.824 0.353 N 1.275 U: 11 15.233 2.066 0.573 0.505 0.800 0.500 CB 1.843 10 residues pruned to eliminate duplicates V: 35 25.751 2.272 0.476 0.636 0.824 0.500 CB 1.407 14 residues pruned to eliminate duplicates W: 17 16.265 1.986 0.550 0.838 0.938 0.750 CA 1.053 X: 17 14.152 1.973 0.576 0.442 0.938 0.625 CB 1.289 Y: 21 28.118 2.014 0.566 0.865 0.900 0.800 CA 1.623 Z: 13 10.130 1.655 0.562 0.758 0.667 0.583 CA 1.349 11 residues pruned to eliminate duplicates Z: 12 5.259 1.734 0.473 0.299 0.727 0.273 CB 1.069 Z: 47 40.060 2.241 0.617 0.671 0.870 0.587 CB 1.602 45 residues pruned to eliminate duplicates Z: 11 8.325 1.651 0.404 0.505 0.900 0.400 C 1.255 Z: 22 35.170 2.162 0.511 0.899 1.000 0.762 CB 1.679 22 residues pruned to eliminate duplicates Z: 22 33.271 2.187 0.469 0.898 1.000 0.571 CB 1.616 22 residues pruned to eliminate duplicates Z: 18 28.048 2.081 0.488 0.913 1.000 0.882 CB 1.555 18 residues pruned to eliminate duplicates Z: 8 9.290 2.097 0.199 0.716 0.857 0.857 CA 1.340 Z: 21 31.670 2.222 0.332 0.898 1.000 0.750 CB 1.711 21 residues pruned to eliminate duplicates Z: 19 16.360 2.059 0.175 0.900 1.000 0.778 CA 1.138 19 residues pruned to eliminate duplicates Z: 10 10.368 1.357 0.745 0.820 1.000 0.667 CB 1.106 10 residues pruned to eliminate duplicates Z: 22 25.935 2.015 0.453 0.881 0.857 0.667 CA 1.634 22 residues pruned to eliminate duplicates Z: 19 17.936 1.958 0.612 0.815 0.889 0.778 CA 1.145 17 residues pruned to eliminate duplicates Z: 17 8.854 1.979 0.126 0.398 0.812 0.562 CB 1.361 Z: 42 41.850 2.285 0.614 0.676 0.951 0.415 CB 1.585 39 residues pruned to eliminate duplicates Z: 22 30.154 2.158 0.579 0.858 0.905 0.429 CB 1.572 22 residues pruned to eliminate duplicates Z: 11 17.902 2.139 0.273 0.779 1.000 0.500 CA 1.626 11 residues pruned to eliminate duplicates Z: 18 33.586 2.150 0.800 0.895 0.941 0.529 CB 1.603 18 residues pruned to eliminate duplicates Z: 9 6.143 1.509 0.531 0.709 0.750 0.625 CA 1.036 9 residues pruned to eliminate duplicates Z: 9 5.948 1.611 0.621 0.348 0.750 0.500 CB 1.267 Z: 7 3.213 1.644 0.633 0.250 0.500 0.333 CB 1.303 Z: 12 8.059 1.672 0.218 0.528 0.909 0.545 CB 1.276 Z: 10 18.985 2.235 0.337 0.847 0.889 0.667 CB 1.769 10 residues pruned to eliminate duplicates Z: 20 38.079 2.099 0.840 0.915 0.947 0.737 CB 1.687 21 residues pruned to eliminate duplicates Z: 15 23.818 2.193 0.521 0.843 1.000 0.643 CB 1.421 15 residues pruned to eliminate duplicates Z: 8 5.490 1.717 0.265 0.412 0.857 0.429 N 1.222 Z: 10 12.485 2.073 0.255 0.793 1.000 0.667 CA 1.238 Z: 10 7.998 1.947 0.304 0.501 1.000 0.556 CB 1.050 10 residues pruned to eliminate duplicates Z: 13 8.087 1.854 0.197 0.442 0.833 0.500 CB 1.340 12 residues pruned to eliminate duplicates Z: 8 4.232 1.713 0.218 0.286 1.000 0.571 CB 0.976 Z: 17 10.283 1.977 0.315 0.395 0.750 0.500 CB 1.474 15 residues pruned to eliminate duplicates Z: 12 7.662 1.733 0.049 0.544 1.000 0.636 CB 1.218 12 residues pruned to eliminate duplicates Z: 13 6.617 1.787 0.099 0.496 0.833 0.750 CA 1.172 13 residues pruned to eliminate duplicates Z: 21 34.860 2.282 0.551 0.865 1.000 0.650 CB 1.613 21 residues pruned to eliminate duplicates Z: 29 14.749 1.948 0.373 0.359 0.893 0.357 CB 1.360 Z: 11 17.693 2.088 0.285 0.805 1.000 0.700 CA 1.597 11 residues pruned to eliminate duplicates Z: 22 9.833 1.868 0.316 0.342 0.762 0.476 CB 1.361 Z: 14 12.185 2.031 0.213 0.540 0.923 0.615 CB 1.429 Z: 23 21.587 1.899 0.399 0.921 1.000 0.909 CA 1.219 22 residues pruned to eliminate duplicates Z: 6 5.663 1.781 0.240 0.542 0.800 0.400 CA 1.376 Z: 44 23.756 2.181 0.534 0.299 0.860 0.465 CA 1.575 48 residues pruned to eliminate duplicates Z: 6 3.937 1.375 0.364 0.477 0.800 0.800 N 1.200 Z: 21 25.856 1.954 0.906 0.889 1.000 0.800 CA 1.117 20 residues pruned to eliminate duplicates Z: 10 15.230 2.202 0.068 0.862 1.000 0.778 CB 1.584 10 residues pruned to eliminate duplicates Z: 22 24.749 2.073 0.395 0.831 0.952 0.619 CB 1.474 22 residues pruned to eliminate duplicates Z: 19 36.848 2.016 0.898 0.894 1.000 0.444 CB 1.628 21 residues pruned to eliminate duplicates Z: 9 15.261 1.917 0.255 0.875 1.000 0.875 CA 1.631 Z: 10 12.811 1.862 0.312 0.815 0.889 0.778 CA 1.495 9 residues pruned to eliminate duplicates Z: 15 12.663 1.994 0.497 0.661 0.786 0.571 CA 1.243 Z: 29 13.622 1.935 0.242 0.359 0.857 0.357 CB 1.455 7 residues pruned to eliminate duplicates Z: 21 38.597 2.247 0.581 0.886 1.000 0.450 CB 1.753 21 residues pruned to eliminate duplicates Z: 72 30.725 2.130 0.515 0.490 0.831 0.408 CB 1.374 72 residues pruned to eliminate duplicates Z: 10 7.503 1.837 0.263 0.468 0.778 0.556 C 1.432 11 residues pruned to eliminate duplicates Z: 13 10.713 2.030 0.242 0.488 0.833 0.667 CB 1.490 13 residues pruned to eliminate duplicates Z: 10 15.390 1.794 0.539 0.805 1.000 0.444 CA 1.424 10 residues pruned to eliminate duplicates Z: 10 13.279 1.881 0.281 0.856 0.889 0.889 N 1.524 10 residues pruned to eliminate duplicates Z: 35 13.455 1.970 0.357 0.309 0.794 0.353 CB 1.344 23 residues pruned to eliminate duplicates Z: 21 14.924 2.064 0.257 0.482 1.000 0.650 CA 1.310 18 residues pruned to eliminate duplicates Z: 13 11.003 1.958 0.493 0.406 1.000 0.667 CB 1.200 13 residues pruned to eliminate duplicates Z: 17 7.538 1.939 0.173 0.303 0.812 0.500 CB 1.269 17 residues pruned to eliminate duplicates Z: 50 25.142 2.150 0.439 0.356 0.857 0.408 CB 1.581 50 residues pruned to eliminate duplicates Z: 19 32.257 2.256 0.700 0.859 0.889 0.667 CB 1.641 19 residues pruned to eliminate duplicates Z: 18 16.400 1.960 0.653 0.921 0.941 0.824 CA 0.918 18 residues pruned to eliminate duplicates Z: 11 7.186 1.918 0.365 0.500 0.800 0.600 CA 1.086 6 1.772 1.489 0.932 0.284 0.400 0.400 CB 0.878 ? Z: 9 13.751 2.185 0.015 0.864 1.000 0.875 CB 1.607 9 residues pruned to eliminate duplicates Z: 21 8.152 1.946 0.310 0.375 0.850 0.400 CB 0.961 Z: 12 13.780 1.998 0.493 0.594 0.909 0.727 CB 1.400 13 residues pruned to eliminate duplicates Z: 11 12.104 2.163 0.097 0.863 0.900 0.800 CB 1.315 11 residues pruned to eliminate duplicates Z: 12 7.104 1.913 0.508 0.290 0.818 0.273 CB 1.148 12 residues pruned to eliminate duplicates Z: 21 25.212 2.036 0.541 0.921 1.000 0.950 CA 1.265 18 residues pruned to eliminate duplicates Z: 8 6.609 1.690 0.139 0.864 1.000 0.857 CA 0.952 8 residues pruned to eliminate duplicates Z: 11 15.528 2.171 -0.071 0.880 1.000 0.800 CB 1.763 11 residues pruned to eliminate duplicates Z: 20 11.353 1.980 0.214 0.393 0.842 0.368 CB 1.440 19 residues pruned to eliminate duplicates Z: 21 16.527 2.065 0.387 0.458 0.950 0.750 CB 1.417 21 residues pruned to eliminate duplicates Z: 18 19.550 1.941 0.352 0.865 0.882 0.824 CA 1.500 18 residues pruned to eliminate duplicates Z: 12 8.803 1.918 0.297 0.444 0.818 0.545 CA 1.382 11 residues pruned to eliminate duplicates Z: 11 6.146 1.859 0.412 0.411 0.600 0.400 N 1.354 11 residues pruned to eliminate duplicates Z: 21 31.627 2.060 0.707 0.890 0.950 0.650 CB 1.523 21 residues pruned to eliminate duplicates Z: 70 28.743 2.189 0.320 0.394 0.884 0.435 CB 1.516 70 residues pruned to eliminate duplicates Z: 12 7.862 1.913 0.225 0.477 0.818 0.727 CB 1.265 12 residues pruned to eliminate duplicates Z: 13 11.673 2.064 0.173 0.868 0.917 0.750 CB 1.111 13 residues pruned to eliminate duplicates Z: 23 9.927 1.923 0.340 0.347 0.864 0.500 CB 1.123 21 residues pruned to eliminate duplicates Z: 12 15.383 2.094 0.246 0.853 0.909 0.727 CB 1.445 12 residues pruned to eliminate duplicates Z: 13 5.909 1.707 0.252 0.377 0.833 0.417 CB 1.092 Z: 10 15.138 1.995 0.540 0.760 1.000 0.889 CA 1.304 10 residues pruned to eliminate duplicates Z: 14 15.534 1.898 0.563 0.855 0.846 0.308 CB 1.266 14 residues pruned to eliminate duplicates Z: 10 12.000 2.007 0.362 0.897 1.000 0.667 CB 1.048 10 residues pruned to eliminate duplicates Z: 15 13.316 1.791 0.792 0.892 0.929 0.714 CA 0.858 15 residues pruned to eliminate duplicates Z: 9 10.464 1.888 0.413 0.779 1.000 0.625 CB 1.085 9 residues pruned to eliminate duplicates Z: 7 4.515 1.945 0.049 0.623 1.000 0.833 CB 0.805 6 residues pruned to eliminate duplicates Z: 16 5.812 1.743 0.319 0.247 0.733 0.400 CB 1.191 16 residues pruned to eliminate duplicates Z: 6 2.845 1.611 0.477 0.459 0.600 0.600 O 0.929 6 residues pruned to eliminate duplicates Z: 8 6.754 1.667 0.497 0.828 0.857 0.857 CB 0.899 Z: 37 18.871 2.109 0.450 0.294 0.861 0.417 CB 1.504 37 residues pruned to eliminate duplicates Z: 20 26.846 2.063 0.743 0.896 0.947 0.579 CB 1.295 20 residues pruned to eliminate duplicates Z: 18 16.127 2.018 0.437 0.540 0.941 0.647 CB 1.378 19 residues pruned to eliminate duplicates Z: 18 5.850 1.860 0.439 0.176 0.706 0.412 CB 1.111 18 residues pruned to eliminate duplicates Z: 21 32.039 2.109 0.651 0.861 0.900 0.650 CB 1.680 21 residues pruned to eliminate duplicates Z: 11 11.967 2.185 0.031 0.783 1.000 0.600 CB 1.309 11 residues pruned to eliminate duplicates Z: 9 7.672 1.969 0.459 0.330 0.750 0.625 CB 1.516 Z: 22 34.357 2.163 0.485 0.868 1.000 0.762 CB 1.707 22 residues pruned to eliminate duplicates Z: 7 6.837 1.854 0.221 0.694 1.000 1.000 CB 1.032 7 residues pruned to eliminate duplicates Z: 18 9.390 1.979 0.434 0.459 0.706 0.294 CA 1.186 16 residues pruned to eliminate duplicates Z: 17 18.694 2.123 0.362 0.873 0.938 0.812 CB 1.256 17 residues pruned to eliminate duplicates Z: 13 9.693 1.940 0.638 0.336 0.750 0.333 CA 1.405 11 residues pruned to eliminate duplicates Z: 17 8.768 1.900 0.133 0.297 0.875 0.625 CA 1.460 17 residues pruned to eliminate duplicates Z: 51 23.060 1.963 0.424 0.517 0.920 0.500 CA 1.247 42 residues pruned to eliminate duplicates Z: 21 24.408 1.982 0.384 0.913 0.950 0.850 CA 1.482 21 residues pruned to eliminate duplicates Z: 8 5.691 1.809 0.617 0.423 0.714 0.286 CB 1.116 Z: 77 44.023 2.247 0.549 0.527 0.895 0.447 CB 1.579 77 residues pruned to eliminate duplicates Z: 9 12.003 1.840 0.595 0.901 1.000 0.750 CB 1.032 9 residues pruned to eliminate duplicates Z: 6 3.110 1.582 -0.063 0.499 0.800 0.600 CB 1.174 Z: 14 16.773 1.960 0.598 0.850 0.846 0.692 CA 1.300 14 residues pruned to eliminate duplicates Z: 10 3.878 1.503 0.257 0.457 0.778 0.556 CB 0.919 Z: 7 4.249 1.670 0.629 0.629 0.667 0.500 CB 0.847 7 residues pruned to eliminate duplicates Z: 11 7.239 1.956 0.755 0.344 0.700 0.500 CB 1.129 10 residues pruned to eliminate duplicates Z: 7 2.589 1.909 -0.207 0.671 1.000 0.833 CB 0.597 Z: 23 15.631 1.939 0.609 0.392 0.955 0.500 CA 1.254 18 residues pruned to eliminate duplicates Z: 6 4.659 1.902 0.056 0.449 0.800 0.600 N 1.367 6 residues pruned to eliminate duplicates Z: 21 13.038 2.020 0.400 0.380 0.850 0.450 CB 1.378 21 residues pruned to eliminate duplicates Z: 22 39.517 2.120 0.786 0.898 1.000 0.762 CB 1.629 30 residues pruned to eliminate duplicates Z: 21 27.331 2.008 0.457 0.886 1.000 0.700 CA 1.507 21 residues pruned to eliminate duplicates Z: 12 18.933 2.281 0.216 0.720 1.000 0.545 CB 1.687 12 residues pruned to eliminate duplicates Z: 6 3.082 1.508 0.050 0.474 0.800 0.600 CA 1.117 8 1.801 1.774 -0.201 0.252 0.571 0.429 CB 1.118 ? Z: 8 5.462 1.563 0.134 0.601 0.857 0.714 C 1.235 8 residues pruned to eliminate duplicates Z: 20 19.422 2.093 0.434 0.522 0.947 0.579 CB 1.533 22 residues pruned to eliminate duplicates Z: 9 3.460 1.680 0.002 0.310 0.875 0.500 CB 1.026 9 residues pruned to eliminate duplicates Z: 21 20.642 1.864 0.668 0.893 0.950 0.650 CA 1.123 21 residues pruned to eliminate duplicates Z: 14 20.354 2.064 0.968 0.871 0.769 0.462 CB 1.318 14 residues pruned to eliminate duplicates Z: 9 11.810 1.916 0.632 0.820 1.000 0.625 CA 1.011 8 residues pruned to eliminate duplicates Z: 25 12.297 1.851 0.234 0.437 0.833 0.542 CB 1.407 17 residues pruned to eliminate duplicates Z: 18 11.915 1.971 0.109 0.454 0.941 0.471 CA 1.472 18 residues pruned to eliminate duplicates Z: 10 14.551 2.246 0.158 0.864 1.000 0.778 CB 1.368 10 residues pruned to eliminate duplicates Z: 6 2.764 1.580 0.184 0.297 0.800 0.600 C 1.037 Z: 19 13.881 1.959 0.478 0.433 0.833 0.556 CA 1.453 20 residues pruned to eliminate duplicates Z: 15 7.957 1.898 -0.003 0.447 0.857 0.500 CB 1.385 13 residues pruned to eliminate duplicates Z: 21 16.254 2.079 0.216 0.520 0.900 0.750 CB 1.566 21 residues pruned to eliminate duplicates Z: 13 8.402 1.946 0.061 0.507 0.917 0.500 CB 1.273 13 residues pruned to eliminate duplicates Z: 11 13.248 1.824 0.307 0.866 0.900 0.900 CA 1.430 10 residues pruned to eliminate duplicates Z: 19 15.561 1.740 0.408 0.826 1.000 0.778 CA 1.129 19 residues pruned to eliminate duplicates Z: 13 7.521 1.788 0.419 0.553 0.750 0.750 CB 1.083 13 residues pruned to eliminate duplicates Z: 83 30.103 2.141 0.456 0.387 0.829 0.463 CB 1.449 83 residues pruned to eliminate duplicates Z: 33 24.065 2.039 0.490 0.593 1.000 0.719 CA 1.281 33 residues pruned to eliminate duplicates Z: 6 3.119 1.298 0.598 0.448 0.800 0.400 CB 0.887 Z: 6 5.963 1.954 0.010 0.684 1.000 0.600 CA 1.142 6 residues pruned to eliminate duplicates Z: 9 8.504 1.803 0.464 0.578 0.875 0.625 CB 1.208 10 residues pruned to eliminate duplicates Z: 43 23.028 2.128 0.441 0.352 0.857 0.500 CB 1.587 43 residues pruned to eliminate duplicates Z: 14 11.486 1.683 0.914 0.793 0.692 0.308 CB 1.105 14 residues pruned to eliminate duplicates Z: 32 16.099 1.921 0.434 0.471 0.839 0.516 CB 1.289 48 residues pruned to eliminate duplicates Z: 11 11.170 1.585 0.923 0.810 1.000 0.500 CA 0.885 6 1.958 1.449 1.163 0.481 0.600 0.600 N 0.475 ? Z: 42 23.264 2.016 0.420 0.447 0.927 0.610 CB 1.447 42 residues pruned to eliminate duplicates Z: 9 3.971 1.687 -0.097 0.350 0.875 0.750 N 1.239 7 1.841 1.549 0.120 0.313 0.833 0.500 N 0.639 ? Z: 12 12.129 2.048 0.074 0.750 0.909 0.455 CB 1.464 12 residues pruned to eliminate duplicates Z: 10 11.503 2.051 0.244 0.534 0.889 0.556 CA 1.636 10 residues pruned to eliminate duplicates Z: 28 12.824 2.021 0.377 0.368 0.815 0.556 CB 1.254 28 residues pruned to eliminate duplicates Z: 22 7.987 1.794 0.304 0.386 0.714 0.381 CB 1.178 18 residues pruned to eliminate duplicates Z: 16 32.461 2.277 0.674 0.829 0.933 0.467 CA 1.772 16 residues pruned to eliminate duplicates Z: 20 22.209 2.011 0.215 0.878 1.000 0.737 CA 1.514 20 residues pruned to eliminate duplicates Z: 31 13.575 2.002 0.350 0.324 0.833 0.467 CB 1.336 31 residues pruned to eliminate duplicates Z: 8 5.338 1.726 0.230 0.329 1.000 0.429 CA 1.146 8 residues pruned to eliminate duplicates Z: 8 9.980 1.943 0.663 0.730 0.857 0.286 CA 1.107 8 residues pruned to eliminate duplicates Z: 35 17.010 1.981 0.432 0.401 0.765 0.294 CB 1.492 35 residues pruned to eliminate duplicates Z: 12 8.846 1.622 0.418 0.570 0.909 0.545 CB 1.192 8 residues pruned to eliminate duplicates Z: 7 5.785 1.697 0.565 0.712 1.000 0.667 CA 0.734 7 residues pruned to eliminate duplicates Z: 18 17.830 1.976 0.721 0.832 0.882 0.706 CA 1.082 18 residues pruned to eliminate duplicates Z: 26 14.458 1.973 0.415 0.447 0.880 0.560 CB 1.243 26 residues pruned to eliminate duplicates Z: 13 5.019 1.498 0.258 0.259 0.917 0.333 CB 1.105 Z: 9 3.612 1.791 0.805 0.331 0.750 0.750 CB 0.634 Z: 14 16.667 2.103 0.288 0.558 1.000 0.846 CA 1.614 14 residues pruned to eliminate duplicates Z: 12 7.619 1.792 0.151 0.349 0.909 0.364 N 1.444 12 residues pruned to eliminate duplicates Z: 15 20.287 2.071 0.532 0.883 1.000 0.571 CB 1.236 15 residues pruned to eliminate duplicates Z: 7 12.442 2.047 0.699 0.516 1.000 0.667 CA 1.437 7 residues pruned to eliminate duplicates Z: 7 6.517 1.893 0.548 0.408 0.667 0.500 CB 1.500 7 residues pruned to eliminate duplicates Z: 16 8.698 1.838 0.066 0.398 0.867 0.267 CA 1.473 16 residues pruned to eliminate duplicates Z: 6 5.041 1.750 0.124 0.513 0.800 0.600 CB 1.414 5 residues pruned to eliminate duplicates Z: 10 6.495 1.749 0.282 0.574 0.778 0.556 CB 1.156 10 residues pruned to eliminate duplicates Z: 16 31.209 2.112 0.697 0.877 0.933 0.533 CB 1.750 15 residues pruned to eliminate duplicates Z: 20 16.844 1.836 0.648 0.851 0.842 0.368 CA 1.123 20 residues pruned to eliminate duplicates Z: 13 10.702 1.855 0.207 0.526 0.917 0.500 CA 1.467 13 residues pruned to eliminate duplicates Z: 8 3.106 1.727 -0.131 0.511 0.857 0.571 CB 0.903 8 residues pruned to eliminate duplicates Z: 16 18.091 1.974 0.402 0.866 0.933 0.600 CA 1.324 16 residues pruned to eliminate duplicates Z: 12 7.683 1.773 0.463 0.702 0.818 0.455 CA 0.908 12 residues pruned to eliminate duplicates Z: 17 6.827 1.629 0.462 0.247 0.812 0.188 CA 1.180 Z: 11 16.306 2.145 0.351 0.860 1.000 0.600 CB 1.309 11 residues pruned to eliminate duplicates Z: 8 4.882 1.484 0.464 0.388 0.857 0.429 CB 1.117 8 residues pruned to eliminate duplicates Z: 12 7.346 1.970 0.329 0.521 0.727 0.545 CB 1.139 12 residues pruned to eliminate duplicates Z: 6 5.003 1.763 0.025 0.781 1.000 1.000 CB 0.967 Z: 18 16.814 2.004 0.399 0.852 0.882 0.706 CB 1.220 18 residues pruned to eliminate duplicates Z: 8 4.679 1.901 0.230 0.274 0.714 0.286 CB 1.367 Z: 14 20.092 2.009 0.945 0.905 0.923 0.462 CA 1.100 14 residues pruned to eliminate duplicates Z: 20 9.729 1.926 0.168 0.380 0.842 0.421 CB 1.338 20 residues pruned to eliminate duplicates Z: 6 3.446 1.318 0.100 0.777 0.800 0.600 CA 1.041 Z: 38 19.569 2.174 0.374 0.300 0.811 0.459 CA 1.660 38 residues pruned to eliminate duplicates Z: 33 15.388 1.976 0.420 0.331 0.812 0.406 CB 1.436 32 residues pruned to eliminate duplicates Z: 13 7.475 1.709 0.122 0.432 0.917 0.583 CB 1.317 9 residues pruned to eliminate duplicates Z: 6 3.564 1.651 0.267 0.554 0.800 0.600 CB 0.904 Z: 9 4.289 1.887 0.363 0.307 0.625 0.625 CB 1.169 9 residues pruned to eliminate duplicates Z: 12 8.149 1.629 0.423 0.556 0.727 0.455 CB 1.379 12 residues pruned to eliminate duplicates Z: 16 8.734 1.842 0.387 0.435 0.800 0.600 CA 1.181 15 residues pruned to eliminate duplicates Z: 12 5.863 1.896 0.200 0.383 0.636 0.273 CB 1.383 12 residues pruned to eliminate duplicates Z: 21 41.446 1.982 0.955 0.926 1.000 0.550 N 1.676 20 residues pruned to eliminate duplicates Z: 9 4.862 1.909 0.001 0.422 0.750 0.500 CB 1.300 Z: 8 3.260 1.485 0.233 0.329 0.857 0.571 CB 0.946 Z: 19 16.040 2.053 0.283 0.561 0.944 0.667 CB 1.433 19 residues pruned to eliminate duplicates Z: 21 24.951 1.942 0.722 0.872 1.000 0.800 CA 1.216 21 residues pruned to eliminate duplicates Z: 13 9.124 1.876 0.423 0.479 0.833 0.583 CB 1.210 14 residues pruned to eliminate duplicates Z: 10 9.281 1.857 0.116 0.854 0.889 0.778 CA 1.241 10 residues pruned to eliminate duplicates Z: 12 12.274 2.041 0.497 0.538 0.909 0.545 CA 1.283 5 residues pruned to eliminate duplicates Z: 17 16.772 1.953 0.658 0.828 0.875 0.438 CA 1.114 17 residues pruned to eliminate duplicates Z: 7 12.687 1.708 0.757 0.827 1.000 0.833 CA 1.301 Z: 20 18.265 1.945 0.813 0.780 0.947 0.789 CA 0.980 20 residues pruned to eliminate duplicates Z: 44 33.925 2.196 0.317 0.699 0.953 0.651 CB 1.564 44 residues pruned to eliminate duplicates 6 1.306 1.233 0.083 0.414 0.800 0.600 N 0.598 ? Z: 26 7.907 1.793 0.183 0.349 0.800 0.360 CB 1.098 25 residues pruned to eliminate duplicates Z: 6 3.884 1.675 0.236 0.240 0.800 0.400 CB 1.418 Z: 18 12.250 2.123 0.201 0.421 0.941 0.529 CA 1.345 18 residues pruned to eliminate duplicates Z: 12 10.371 1.938 0.492 0.433 0.727 0.364 CA 1.594 11 residues pruned to eliminate duplicates Z: 10 8.642 1.883 0.022 0.711 1.000 0.889 CA 1.236 10 residues pruned to eliminate duplicates Z: 6 2.651 1.354 0.478 0.323 0.800 0.600 CB 0.899 7 1.912 1.323 0.535 0.242 0.667 0.667 CB 0.778 ? Z: 10 8.086 1.961 0.315 0.483 0.889 0.778 CA 1.197 10 residues pruned to eliminate duplicates Z: 8 4.275 1.780 0.040 0.360 0.714 0.286 CB 1.421 Z: 31 20.844 2.014 0.442 0.547 1.000 0.667 CA 1.252 31 residues pruned to eliminate duplicates Z: 12 16.386 2.237 0.290 0.529 0.909 0.636 CA 1.830 12 residues pruned to eliminate duplicates Z: 22 23.702 1.975 0.321 0.887 1.000 0.857 CA 1.429 22 residues pruned to eliminate duplicates Z: 7 10.231 1.792 0.384 0.850 1.000 0.833 CA 1.248 7 residues pruned to eliminate duplicates Z: 7 8.377 1.815 0.938 0.435 0.833 0.667 CB 1.249 11 residues pruned to eliminate duplicates Z: 9 4.419 1.530 0.155 0.430 1.000 0.500 CA 0.951 Z: 6 5.323 1.807 0.243 0.424 1.000 0.600 CA 1.147 6 residues pruned to eliminate duplicates Z: 7 2.612 1.571 -0.131 0.507 0.833 0.333 N 0.930 Z: 19 32.683 2.027 0.778 0.875 0.944 0.556 CB 1.647 19 residues pruned to eliminate duplicates Z: 7 5.174 1.921 -0.037 0.876 0.833 0.833 CA 0.996 7 residues pruned to eliminate duplicates Z: 8 8.211 1.617 0.708 0.720 0.857 0.571 CB 1.074 Z: 11 16.064 2.124 0.476 0.671 1.000 0.700 CA 1.383 11 residues pruned to eliminate duplicates Z: 11 13.647 2.056 0.435 0.531 1.000 0.400 CA 1.419 11 residues pruned to eliminate duplicates Z: 6 3.583 1.700 0.392 0.425 0.600 0.400 CB 1.221 6 residues pruned to eliminate duplicates Z: 7 4.259 1.703 -0.055 0.444 0.833 0.667 CA 1.373 7 residues pruned to eliminate duplicates Z: 8 4.414 1.676 0.347 0.571 0.714 0.714 CA 0.966 Z: 13 4.477 1.419 0.199 0.457 0.917 0.500 CB 0.866 13 residues pruned to eliminate duplicates Z: 7 3.568 1.917 0.196 0.405 0.667 0.667 CB 1.053 7 residues pruned to eliminate duplicates 7 1.938 1.454 -0.127 0.516 0.833 0.667 CB 0.736 ? Z: 8 6.933 1.713 0.043 0.680 1.000 0.571 CB 1.243 8 residues pruned to eliminate duplicates 6 1.618 1.347 0.355 0.337 0.600 0.600 C 0.790 ? Z: 20 10.128 2.053 0.258 0.434 0.789 0.421 CB 1.221 20 residues pruned to eliminate duplicates Z: 6 7.184 1.556 0.689 0.674 1.000 0.600 CB 1.041 6 residues pruned to eliminate duplicates Z: 7 7.118 1.977 0.575 0.332 1.000 0.833 CB 1.123 7 residues pruned to eliminate duplicates Z: 12 13.386 2.002 0.448 0.566 0.909 0.727 CA 1.437 12 residues pruned to eliminate duplicates Z: 6 3.140 1.639 0.199 0.529 0.800 0.400 CB 0.868 Z: 7 2.453 1.444 0.898 0.083 0.667 0.500 C 0.939 Z: 10 10.328 1.891 0.325 0.572 0.889 0.667 CA 1.443 10 residues pruned to eliminate duplicates Z: 14 10.170 1.964 0.138 0.588 0.923 0.538 CB 1.257 14 residues pruned to eliminate duplicates Z: 6 5.064 1.855 -0.059 0.564 1.000 0.400 CA 1.219 Z: 17 17.953 2.115 0.359 0.855 0.875 0.500 CA 1.317 17 residues pruned to eliminate duplicates Z: 6 3.018 1.614 -0.005 0.433 0.800 0.600 N 1.126 7 residues pruned to eliminate duplicates Z: 8 5.510 1.720 0.571 0.255 0.857 0.429 N 1.190 4 residues pruned to eliminate duplicates Z: 12 9.380 1.858 0.014 0.553 1.000 0.636 CB 1.426 12 residues pruned to eliminate duplicates Z: 11 16.058 1.963 0.479 0.887 1.000 0.600 CA 1.262 46 residues pruned to eliminate duplicates Z: 8 4.317 1.770 0.045 0.505 1.000 0.571 CB 0.877 Z: 12 9.454 1.868 0.764 0.338 0.818 0.364 CA 1.263 11 residues pruned to eliminate duplicates Z: 7 5.122 1.724 -0.134 0.587 1.000 0.500 CB 1.288 7 residues pruned to eliminate duplicates Z: 8 2.887 1.406 0.466 0.318 0.714 0.429 C 0.906 7 residues pruned to eliminate duplicates Z: 11 12.158 2.036 0.195 0.622 1.000 0.800 CB 1.408 14 residues pruned to eliminate duplicates Z: 10 2.890 1.665 -0.004 0.336 0.778 0.444 CA 0.894 Z: 8 3.350 1.612 0.064 0.397 1.000 0.857 CB 0.823 8 residues pruned to eliminate duplicates Z: 6 6.339 1.876 0.135 0.648 0.800 0.800 C 1.449 6 residues pruned to eliminate duplicates 6 1.566 1.393 0.760 0.285 0.600 0.400 CB 0.607 ? Z: 8 3.427 1.545 0.278 0.295 0.714 0.286 CB 1.155 Z: 16 13.642 1.962 0.242 0.523 1.000 0.600 CA 1.413 16 residues pruned to eliminate duplicates Z: 6 4.475 1.658 0.156 0.663 0.800 0.800 N 1.123 6 residues pruned to eliminate duplicates Z: 8 8.966 1.975 0.166 0.754 1.000 0.714 CB 1.173 8 residues pruned to eliminate duplicates Z: 13 6.206 1.895 0.135 0.381 0.833 0.333 CB 1.135 13 residues pruned to eliminate duplicates Z: 6 3.132 1.647 -0.026 0.607 0.800 0.800 CA 0.986 6 residues pruned to eliminate duplicates Z: 12 5.724 1.774 0.275 0.333 0.818 0.455 CB 1.120 16 residues pruned to eliminate duplicates Z: 6 2.522 1.657 0.065 0.578 1.000 0.400 CB 0.593 Z: 11 18.409 2.082 0.425 0.883 0.900 0.800 CA 1.577 11 residues pruned to eliminate duplicates Z: 6 5.292 1.650 0.192 0.546 1.000 0.400 CB 1.150 6 residues pruned to eliminate duplicates Z: 9 15.541 1.890 0.451 0.858 1.000 0.375 N 1.475 9 residues pruned to eliminate duplicates Z: 8 6.638 1.732 0.202 0.446 1.000 0.571 CA 1.274 Z: 10 4.677 1.727 0.584 0.344 0.778 0.444 CB 0.868 10 residues pruned to eliminate duplicates Z: 15 12.090 1.949 0.280 0.567 1.000 0.714 CA 1.214 15 residues pruned to eliminate duplicates Z: 6 2.416 1.565 0.115 0.306 0.800 0.400 CB 0.960 Z: 6 5.677 1.751 0.591 0.522 0.800 0.600 CB 1.114 6 residues pruned to eliminate duplicates Z: 9 3.105 1.604 -0.018 0.235 0.875 0.375 CB 1.084 9 residues pruned to eliminate duplicates Z: 29 11.971 1.862 0.322 0.319 0.857 0.429 CA 1.309 29 residues pruned to eliminate duplicates Z: 23 6.276 1.738 0.233 0.332 0.864 0.409 CB 0.869 33 residues pruned to eliminate duplicates Z: 11 11.133 1.907 0.506 0.582 0.800 0.600 CA 1.416 11 residues pruned to eliminate duplicates 6 1.399 1.243 0.209 0.366 0.800 0.600 CB 0.601 ? Z: 16 6.131 1.723 0.259 0.416 0.733 0.400 CB 1.086 16 residues pruned to eliminate duplicates Z: 11 10.498 1.863 0.818 0.885 0.800 0.500 CA 0.885 11 residues pruned to eliminate duplicates Z: 6 4.805 1.558 0.218 0.686 1.000 0.600 CB 0.955 Z: 10 7.514 1.802 0.154 0.547 0.889 0.667 N 1.295 10 residues pruned to eliminate duplicates Z: 12 5.369 1.770 0.703 0.264 0.545 0.364 CA 1.288 Z: 108 44.277 2.162 0.512 0.468 0.888 0.439 CB 1.523 82 residues pruned to eliminate duplicates Z: 13 22.002 2.153 0.629 0.874 1.000 0.250 CB 1.319 13 residues pruned to eliminate duplicates Z: 8 2.468 1.390 -0.248 0.477 1.000 0.429 CB 0.914 Z: 7 2.867 1.506 0.124 0.313 0.833 0.333 CB 1.021 Z: 13 6.119 1.803 0.117 0.406 0.833 0.333 CB 1.161 13 residues pruned to eliminate duplicates Z: 6 3.360 1.364 0.174 0.581 1.000 0.600 CB 0.868 Z: 23 16.770 2.234 0.431 0.323 0.864 0.409 CA 1.573 23 residues pruned to eliminate duplicates Z: 31 20.324 1.814 0.539 0.532 0.933 0.533 CA 1.381 36 residues pruned to eliminate duplicates Z: 11 12.761 2.015 0.392 0.515 0.900 0.500 CA 1.575 12 residues pruned to eliminate duplicates Z: 9 2.389 1.462 -0.078 0.419 1.000 0.375 CB 0.682 Z: 10 5.370 1.847 0.190 0.746 0.889 0.778 CB 0.735 Z: 31 15.679 1.898 0.141 0.486 0.933 0.533 CB 1.436 31 residues pruned to eliminate duplicates Z: 14 4.595 1.701 0.072 0.448 0.846 0.462 CB 0.872 14 residues pruned to eliminate duplicates Z: 11 10.659 1.974 0.351 0.663 1.000 0.500 CA 1.087 Z: 24 10.916 2.003 0.178 0.344 0.826 0.435 CA 1.384 24 residues pruned to eliminate duplicates Z: 19 14.364 2.030 0.305 0.464 1.000 0.722 CA 1.326 19 residues pruned to eliminate duplicates Z: 14 14.427 1.947 0.451 0.447 1.000 0.615 CB 1.495 14 residues pruned to eliminate duplicates Z: 15 8.720 1.768 0.311 0.357 0.857 0.286 CB 1.369 8 residues pruned to eliminate duplicates Z: 6 3.170 1.682 0.242 0.307 0.600 0.600 CA 1.401 Z: 7 3.771 1.468 0.264 0.330 0.833 0.333 N 1.199 7 residues pruned to eliminate duplicates Z: 22 10.002 1.872 0.181 0.399 0.857 0.429 CB 1.281 39 residues pruned to eliminate duplicates Z: 27 19.467 2.002 0.631 0.438 0.846 0.615 CB 1.473 44 residues pruned to eliminate duplicates Z: 6 3.922 1.933 0.120 0.324 0.800 0.400 CA 1.229 Z: 12 9.559 1.959 0.242 0.405 0.909 0.455 CA 1.441 6 1.882 1.500 0.300 0.291 1.000 0.600 CB 0.546 ? Z: 11 4.790 1.427 0.241 0.433 0.800 0.500 CB 1.146 11 residues pruned to eliminate duplicates Z: 25 19.290 1.981 0.423 0.521 0.875 0.750 CA 1.563 25 residues pruned to eliminate duplicates Z: 6 3.046 1.594 0.162 0.380 0.800 0.400 CA 1.044 Z: 7 2.384 1.398 0.251 0.421 0.500 0.500 CA 1.209 Z: 13 4.033 1.526 0.249 0.288 0.917 0.667 CB 0.845 Z: 8 11.540 1.765 0.692 0.735 0.857 0.571 CA 1.380 8 residues pruned to eliminate duplicates Z: 19 14.820 1.927 0.637 0.839 0.778 0.500 CA 1.063 19 residues pruned to eliminate duplicates Z: 8 3.434 1.244 0.445 0.342 0.857 0.429 N 1.001 Z: 12 24.083 2.225 0.902 0.860 0.909 0.727 CB 1.388 12 residues pruned to eliminate duplicates Z: 37 17.509 2.110 0.336 0.270 0.889 0.389 CA 1.512 37 residues pruned to eliminate duplicates Z: 29 15.860 1.872 0.197 0.505 0.929 0.571 CB 1.434 29 residues pruned to eliminate duplicates Z: 8 14.491 2.010 0.317 0.904 1.000 1.000 CA 1.473 8 residues pruned to eliminate duplicates Z: 8 3.854 1.246 0.685 0.343 0.857 0.571 N 0.960 Z: 16 5.072 1.639 0.197 0.217 0.800 0.400 CB 1.164 16 residues pruned to eliminate duplicates Z: 6 2.113 1.580 0.027 0.599 0.800 0.400 CA 0.662 6 residues pruned to eliminate duplicates Z: 21 31.584 1.979 0.685 0.871 0.950 0.650 CA 1.626 21 residues pruned to eliminate duplicates Z: 15 10.993 1.898 0.559 0.684 0.857 0.500 CA 0.979 15 residues pruned to eliminate duplicates Z: 24 13.391 1.920 0.386 0.464 0.783 0.435 CB 1.390 20 residues pruned to eliminate duplicates Z: 15 9.602 1.946 0.083 0.455 0.929 0.500 CA 1.373 15 residues pruned to eliminate duplicates Z: 7 3.863 1.795 0.351 0.399 0.833 0.333 CB 0.868 7 residues pruned to eliminate duplicates Z: 8 5.571 1.485 0.573 0.648 0.857 0.857 CA 0.917 8 residues pruned to eliminate duplicates Z: 10 12.790 1.943 0.302 0.575 1.000 0.667 CA 1.568 10 residues pruned to eliminate duplicates Z: 40 17.666 2.040 0.389 0.348 0.821 0.487 CA 1.435 40 residues pruned to eliminate duplicates Z: 6 2.558 1.172 0.325 0.643 1.000 0.400 CB 0.644 Z: 11 11.060 2.050 0.448 0.436 0.800 0.600 CB 1.573 12 residues pruned to eliminate duplicates Z: 18 10.107 1.847 0.266 0.534 0.941 0.765 CB 1.078 16 residues pruned to eliminate duplicates Z: 7 3.309 1.566 0.083 0.387 0.833 0.333 CA 1.078 Z: 17 9.700 1.939 0.232 0.422 0.812 0.500 CB 1.355 18 residues pruned to eliminate duplicates Z: 7 3.744 1.248 0.390 0.442 1.000 0.667 N 0.936 Z: 11 13.162 2.062 0.580 0.353 1.000 0.400 CA 1.498 13 residues pruned to eliminate duplicates Z: 50 29.672 2.063 0.507 0.578 0.939 0.531 CA 1.347 51 residues pruned to eliminate duplicates Z: 6 3.913 1.595 0.167 0.477 0.800 0.800 CA 1.204 Z: 12 13.299 1.932 0.377 0.754 1.000 0.636 CA 1.202 12 residues pruned to eliminate duplicates Z: 9 7.355 1.857 0.521 0.459 0.625 0.500 CA 1.536 9 residues pruned to eliminate duplicates Z: 15 11.120 1.824 0.384 0.513 0.857 0.643 CB 1.355 15 residues pruned to eliminate duplicates Z: 6 2.261 1.162 0.594 0.500 1.000 0.800 N 0.546 Z: 8 5.310 1.546 0.687 0.314 1.000 0.429 N 0.945 6 1.787 1.555 -0.286 0.290 1.000 0.600 CB 0.910 ? Z: 9 4.061 1.386 0.423 0.442 0.875 0.625 CB 0.883 Z: 34 19.630 1.918 0.268 0.507 0.939 0.636 N 1.485 34 residues pruned to eliminate duplicates Z: 6 4.532 1.882 0.402 0.523 0.800 0.600 CA 0.938 6 residues pruned to eliminate duplicates 8 1.534 1.370 0.146 0.339 0.714 0.286 CA 0.616 ? Z: 6 9.251 1.493 0.820 0.783 1.000 1.000 CB 1.187 Z: 6 3.830 1.441 1.049 0.761 0.800 0.800 CB 0.575 Z: 26 25.059 2.100 0.656 0.610 0.960 0.480 CA 1.353 26 residues pruned to eliminate duplicates Z: 6 3.333 1.482 -0.003 0.623 0.800 0.600 CA 1.123 Z: 7 7.261 1.802 0.157 0.623 1.000 0.667 CA 1.265 6 residues pruned to eliminate duplicates Z: 9 2.300 1.322 0.527 0.160 0.750 0.250 N 0.814 Z: 7 2.102 1.353 0.358 0.276 0.667 0.333 CB 0.903 Z: 6 2.824 1.388 0.279 0.300 0.800 0.800 N 1.113 Z: 21 21.919 1.975 0.261 0.883 1.000 0.900 CB 1.423 21 residues pruned to eliminate duplicates Z: 8 6.437 1.573 0.749 0.294 0.857 0.429 CB 1.299 8 residues pruned to eliminate duplicates Z: 9 2.840 1.327 0.432 0.500 0.750 0.250 CA 0.704 Z: 11 11.736 1.977 0.229 0.648 0.900 0.600 CA 1.478 11 residues pruned to eliminate duplicates Z: 10 5.344 1.584 0.347 0.427 0.667 0.556 C 1.351 10 residues pruned to eliminate duplicates 6 0.966 1.258 0.501 0.299 0.800 0.600 CB 0.358 ? Z: 10 7.923 2.076 0.035 0.398 0.778 0.222 CA 1.760 10 residues pruned to eliminate duplicates Z: 19 9.643 1.979 0.232 0.456 0.833 0.500 CA 1.170 19 residues pruned to eliminate duplicates Z: 19 28.627 2.005 0.610 0.848 1.000 0.944 CA 1.551 19 residues pruned to eliminate duplicates Z: 6 2.369 1.837 -0.329 0.283 1.000 0.400 CB 1.098 Z: 23 6.449 1.724 0.168 0.272 0.818 0.318 CB 1.082 21 residues pruned to eliminate duplicates Z: 15 6.686 1.715 0.413 0.274 0.714 0.429 CA 1.334 9 residues pruned to eliminate duplicates Z: 9 4.634 1.583 0.508 0.297 0.875 0.375 N 0.984 Z: 12 8.261 1.967 0.304 0.352 0.909 0.455 CB 1.254 12 residues pruned to eliminate duplicates Z: 6 13.827 2.038 0.502 0.843 1.000 0.800 CA 1.504 6 residues pruned to eliminate duplicates Z: 30 26.308 1.949 0.701 0.598 0.931 0.586 CB 1.441 30 residues pruned to eliminate duplicates Z: 61 27.276 2.151 0.491 0.359 0.850 0.417 CB 1.504 61 residues pruned to eliminate duplicates Z: 11 8.237 1.942 0.456 0.446 0.900 0.400 CB 1.082 11 residues pruned to eliminate duplicates Z: 48 22.307 2.105 0.426 0.313 0.894 0.468 CA 1.492 48 residues pruned to eliminate duplicates Z: 14 9.310 1.916 0.396 0.407 0.769 0.385 CB 1.384 14 residues pruned to eliminate duplicates 7 1.878 1.368 0.071 0.257 0.833 0.500 CB 0.829 ? Z: 9 8.431 1.911 0.508 0.608 1.000 0.750 CA 0.933 9 residues pruned to eliminate duplicates Z: 10 11.045 1.835 0.826 0.522 0.889 0.556 CA 1.210 10 residues pruned to eliminate duplicates Z: 6 2.411 1.399 0.803 0.609 0.600 0.400 CB 0.642 Z: 6 3.985 1.224 0.971 0.848 1.000 0.600 CA 0.548 Z: 8 2.492 1.256 0.496 0.147 0.857 0.429 CB 0.903 Z: 9 4.025 1.554 0.171 0.401 0.750 0.375 N 1.158 9 residues pruned to eliminate duplicates Z: 14 8.926 1.862 0.097 0.479 0.846 0.615 CB 1.464 14 residues pruned to eliminate duplicates Z: 46 34.006 2.121 0.428 0.635 0.933 0.556 CB 1.580 46 residues pruned to eliminate duplicates Z: 9 11.497 2.012 0.274 0.718 0.875 0.750 CA 1.489 9 residues pruned to eliminate duplicates Z: 6 2.986 1.467 0.339 0.368 0.800 0.400 C 0.978 Z: 6 3.114 1.337 0.490 0.358 1.000 0.400 CA 0.815 6 0.507 1.326 -0.408 0.271 0.600 0.400 CB 0.625 ? Z: 11 7.818 2.040 0.339 0.458 0.700 0.500 CB 1.350 11 residues pruned to eliminate duplicates 6 1.625 1.604 0.653 0.288 0.600 0.400 CB 0.580 ? Z: 14 8.120 1.990 0.180 0.454 1.000 0.615 CA 1.005 14 residues pruned to eliminate duplicates Z: 9 14.766 2.038 0.442 0.718 1.000 0.750 CB 1.458 9 residues pruned to eliminate duplicates Z: 9 6.941 1.719 0.539 0.337 0.875 0.500 CB 1.266 9 residues pruned to eliminate duplicates Z: 22 17.882 2.031 0.578 0.594 0.952 0.667 CA 1.168 22 residues pruned to eliminate duplicates Z: 8 2.773 1.358 0.312 0.254 0.714 0.429 CA 1.092 Z: 9 3.163 1.198 0.587 0.446 0.750 0.375 CB 0.829 Z: 8 6.412 1.732 0.308 0.596 0.857 0.429 N 1.138 8 residues pruned to eliminate duplicates Z: 10 7.665 2.034 0.208 0.377 0.889 0.333 CB 1.334 10 residues pruned to eliminate duplicates Z: 12 13.759 2.238 0.010 0.662 0.909 0.545 CB 1.738 12 residues pruned to eliminate duplicates Z: 11 5.205 1.584 0.314 0.336 0.800 0.300 CA 1.183 Z: 6 5.548 1.470 0.966 0.441 0.800 0.400 CA 1.140 6 residues pruned to eliminate duplicates Z: 60 24.359 2.118 0.481 0.327 0.847 0.508 CB 1.443 60 residues pruned to eliminate duplicates Z: 12 12.070 1.988 0.322 0.571 1.000 0.727 CA 1.293 12 residues pruned to eliminate duplicates 6 0.718 1.075 -0.050 0.486 0.800 0.400 CB 0.398 ? Z: 6 2.180 1.504 0.342 0.314 0.600 0.400 CA 0.989 6 1.548 1.459 0.171 0.355 0.800 0.600 CB 0.593 ? Z: 6 2.597 1.497 0.858 0.485 1.000 0.200 CB 0.424 Z: 6 2.554 1.136 0.584 0.661 0.800 0.400 N 0.683 Z: 7 4.411 1.412 0.030 0.727 1.000 0.833 CA 1.010 Using tripeptides from previous cycle as seeds Z: 12 10.195 1.969 0.270 0.568 0.818 0.727 CA 1.408 12 residues pruned to eliminate duplicates Z: 13 6.924 1.902 0.212 0.437 0.750 0.583 CB 1.234 13 residues pruned to eliminate duplicates Z: 12 10.402 1.983 0.181 0.474 1.000 0.727 CA 1.375 12 residues pruned to eliminate duplicates Z: 13 9.285 1.933 0.242 0.456 0.917 0.583 CB 1.274 13 residues pruned to eliminate duplicates Z: 9 7.923 2.008 0.108 0.509 0.750 0.500 N 1.663 10 residues pruned to eliminate duplicates Z: 6 3.359 1.471 0.567 0.249 0.800 0.800 CB 1.088 Z: 6 8.867 1.918 0.551 0.761 0.800 0.600 CA 1.321 6 residues pruned to eliminate duplicates Z: 10 7.233 1.627 0.672 0.567 0.778 0.444 CB 1.067 10 residues pruned to eliminate duplicates Z: 8 9.177 1.828 0.711 0.606 0.857 0.571 CB 1.170 8 residues pruned to eliminate duplicates Z: 8 7.324 1.790 0.355 0.585 0.857 0.571 CA 1.227 8 residues pruned to eliminate duplicates Z: 8 7.279 1.735 0.564 0.281 1.000 0.143 CB 1.298 9 residues pruned to eliminate duplicates Z: 7 5.771 1.776 0.692 0.427 0.667 0.500 CB 1.268 7 residues pruned to eliminate duplicates Z: 6 5.034 1.882 0.339 0.363 0.800 0.200 CB 1.294 6 residues pruned to eliminate duplicates Z: 8 5.769 1.726 0.468 0.367 0.857 0.571 CB 1.159 8 residues pruned to eliminate duplicates Z: 7 6.118 1.737 0.761 0.444 1.000 0.500 CB 0.864 7 residues pruned to eliminate duplicates Z: 11 15.514 2.177 0.405 0.548 0.900 0.600 CB 1.701 11 residues pruned to eliminate duplicates Z: 6 5.943 1.613 0.919 0.469 0.800 0.400 CA 1.108 6 residues pruned to eliminate duplicates Z: 11 15.703 2.182 0.363 0.591 0.900 0.700 CA 1.700 11 residues pruned to eliminate duplicates Z: 7 4.116 1.789 0.189 0.350 0.833 0.667 C 1.116 7 residues pruned to eliminate duplicates 6 1.342 1.611 0.066 0.100 0.600 0.200 CB 0.970 ? Z: 6 5.422 1.567 0.412 0.417 1.000 0.800 C 1.195 6 residues pruned to eliminate duplicates Z: 11 7.917 1.951 0.300 0.342 0.800 0.400 CB 1.466 11 residues pruned to eliminate duplicates Z: 20 8.984 1.905 0.125 0.367 0.789 0.421 CB 1.406 19 residues pruned to eliminate duplicates Z: 8 4.911 1.791 -0.036 0.593 0.714 0.143 CA 1.378 Z: 27 14.820 1.913 0.258 0.441 0.885 0.423 CB 1.451 28 residues pruned to eliminate duplicates Z: 8 5.557 1.796 0.262 0.452 0.714 0.714 CB 1.363 8 residues pruned to eliminate duplicates Z: 9 5.677 1.732 0.299 0.436 0.750 0.250 CA 1.270 9 residues pruned to eliminate duplicates Z: 8 6.160 1.761 0.231 0.488 0.857 0.571 CA 1.269 8 residues pruned to eliminate duplicates Z: 8 4.429 1.613 0.217 0.561 0.714 0.429 CA 1.125 8 residues pruned to eliminate duplicates Z: 9 6.223 1.690 0.297 0.531 0.750 0.500 CA 1.298 9 residues pruned to eliminate duplicates Z: 11 9.942 2.054 0.241 0.486 0.800 0.300 CA 1.564 11 residues pruned to eliminate duplicates Z: 6 4.004 1.460 0.496 0.715 0.600 0.400 O 1.125 6 residues pruned to eliminate duplicates Z: 12 9.059 2.002 0.180 0.443 0.818 0.455 CA 1.498 12 residues pruned to eliminate duplicates Z: 11 12.086 1.963 0.435 0.499 0.900 0.600 CA 1.508 11 residues pruned to eliminate duplicates Z: 6 2.607 1.548 0.335 0.442 1.000 0.600 CA 0.599 6 residues pruned to eliminate duplicates Z: 12 10.453 1.885 0.633 0.350 0.909 0.273 CA 1.325 15 residues pruned to eliminate duplicates Z: 6 6.646 1.478 0.753 0.625 1.000 0.400 CA 1.020 6 residues pruned to eliminate duplicates Z: 6 3.472 1.719 0.775 0.356 0.800 0.600 CB 0.744 Z: 14 10.316 2.009 0.651 0.297 0.769 0.462 CB 1.406 18 residues pruned to eliminate duplicates Z: 8 9.967 1.887 0.312 0.675 1.000 0.429 CB 1.295 8 residues pruned to eliminate duplicates Z: 19 11.419 1.995 0.172 0.405 0.889 0.389 CB 1.431 21 residues pruned to eliminate duplicates Z: 10 7.146 1.648 0.211 0.700 0.778 0.444 CA 1.280 9 residues pruned to eliminate duplicates Z: 6 4.849 2.031 -0.089 0.613 1.000 0.200 CA 1.053 6 residues pruned to eliminate duplicates Z: 11 10.659 2.066 0.128 0.540 0.900 0.600 CA 1.545 11 residues pruned to eliminate duplicates Z: 14 6.555 1.773 0.234 0.390 0.846 0.385 CA 1.104 14 residues pruned to eliminate duplicates Z: 9 7.835 2.058 0.451 0.425 0.750 0.500 CB 1.337 9 residues pruned to eliminate duplicates Z: 16 9.908 1.869 0.187 0.419 0.867 0.533 CB 1.448 17 residues pruned to eliminate duplicates Z: 6 2.434 2.008 0.091 0.246 0.800 0.400 CB 0.832 6 residues pruned to eliminate duplicates Z: 34 9.190 1.787 0.231 0.287 0.818 0.303 CB 1.129 61 residues pruned to eliminate duplicates Z: 6 2.919 1.831 0.094 0.330 1.000 0.200 CB 0.785 Z: 9 3.938 1.612 0.461 0.446 0.875 0.375 CB 0.714 Z: 10 5.413 1.676 0.318 0.598 0.667 0.667 CB 1.116 8 residues pruned to eliminate duplicates Z: 6 2.491 1.780 0.570 0.257 0.600 0.000 CB 0.878 6 residues pruned to eliminate duplicates Z: 16 5.215 1.731 0.184 0.244 0.667 0.267 CA 1.324 25 residues pruned to eliminate duplicates Z: 9 7.506 1.614 0.687 0.612 0.875 0.625 CB 1.001 11 residues pruned to eliminate duplicates Z: 9 6.351 1.654 0.440 0.586 0.875 0.500 CB 0.992 8 residues pruned to eliminate duplicates Z: 8 7.363 1.857 0.496 0.447 0.857 0.286 CB 1.234 8 residues pruned to eliminate duplicates Z: 11 3.131 1.567 0.400 0.123 0.600 0.300 CB 1.208 11 residues pruned to eliminate duplicates Z: 9 3.715 1.680 0.316 0.112 0.750 0.375 CA 1.295 9 residues pruned to eliminate duplicates Z: 15 4.984 1.750 0.177 0.271 0.714 0.357 CA 1.174 15 residues pruned to eliminate duplicates Z: 11 4.232 1.743 0.163 0.151 0.700 0.400 CA 1.448 11 residues pruned to eliminate duplicates Z: 10 2.383 1.669 0.000 0.085 0.667 0.333 CA 1.221 10 residues pruned to eliminate duplicates Z: 6 2.769 1.636 0.050 0.273 0.800 0.600 CA 1.165 6 residues pruned to eliminate duplicates Z: 24 14.443 1.997 0.507 0.404 0.913 0.435 CB 1.213 24 residues pruned to eliminate duplicates Z: 15 10.667 1.945 0.293 0.324 1.000 0.500 CB 1.375 15 residues pruned to eliminate duplicates Z: 11 7.582 1.886 0.767 0.252 0.900 0.600 CB 1.063 11 residues pruned to eliminate duplicates Z: 17 9.941 1.927 0.418 0.387 0.938 0.500 CB 1.093 17 residues pruned to eliminate duplicates Z: 29 18.533 2.046 0.473 0.439 0.929 0.571 CB 1.333 29 residues pruned to eliminate duplicates Z: 13 11.057 1.919 0.531 0.421 0.917 0.667 CB 1.287 13 residues pruned to eliminate duplicates Z: 20 17.792 2.059 0.546 0.511 1.000 0.684 CA 1.268 20 residues pruned to eliminate duplicates Z: 20 16.765 2.012 0.581 0.459 1.000 0.579 CA 1.260 20 residues pruned to eliminate duplicates Z: 26 22.227 2.045 0.460 0.545 1.000 0.720 CB 1.425 26 residues pruned to eliminate duplicates Z: 37 22.103 2.044 0.536 0.533 0.917 0.694 CA 1.240 37 residues pruned to eliminate duplicates Z: 25 17.259 1.991 0.537 0.441 0.958 0.583 CB 1.277 25 residues pruned to eliminate duplicates Z: 11 10.655 1.989 0.429 0.606 0.900 0.700 CA 1.191 11 residues pruned to eliminate duplicates Z: 18 8.938 1.970 0.292 0.404 0.824 0.529 CA 1.143 18 residues pruned to eliminate duplicates Z: 24 19.910 2.094 0.615 0.705 1.000 0.826 CA 1.019 24 residues pruned to eliminate duplicates Z: 33 28.291 2.044 0.585 0.653 1.000 0.781 CA 1.338 33 residues pruned to eliminate duplicates Z: 28 20.385 2.035 0.649 0.458 0.926 0.667 CB 1.319 28 residues pruned to eliminate duplicates Z: 24 17.658 2.061 0.598 0.668 0.913 0.739 CA 1.048 24 residues pruned to eliminate duplicates Z: 25 17.396 2.011 0.564 0.672 0.917 0.625 CA 1.050 25 residues pruned to eliminate duplicates Z: 41 24.239 2.019 0.567 0.587 0.950 0.675 CA 1.173 41 residues pruned to eliminate duplicates Z: 31 20.989 2.051 0.420 0.561 0.933 0.567 CA 1.328 31 residues pruned to eliminate duplicates Z: 42 26.479 1.999 0.595 0.648 0.951 0.463 CA 1.187 44 residues pruned to eliminate duplicates Z: 15 17.197 1.911 0.620 0.910 0.929 0.500 CA 1.135 15 residues pruned to eliminate duplicates Z: 23 14.853 1.910 0.752 0.599 0.864 0.273 CA 0.997 23 residues pruned to eliminate duplicates Z: 23 17.363 2.029 0.684 0.657 0.909 0.318 CA 1.030 23 residues pruned to eliminate duplicates Z: 12 12.972 2.110 0.812 0.740 0.818 0.545 CA 1.009 12 residues pruned to eliminate duplicates Z: 13 18.983 2.067 1.092 0.839 1.000 0.333 CA 0.947 13 residues pruned to eliminate duplicates Z: 19 15.726 2.045 0.726 0.797 0.889 0.333 CA 0.911 19 residues pruned to eliminate duplicates Z: 11 13.004 1.951 0.766 0.743 0.800 0.200 CA 1.200 11 residues pruned to eliminate duplicates Z: 25 20.828 1.994 0.859 0.654 0.875 0.542 CA 1.136 25 residues pruned to eliminate duplicates Z: 30 14.080 1.896 0.499 0.468 0.862 0.379 CA 1.102 30 residues pruned to eliminate duplicates Z: 39 23.461 2.065 0.557 0.645 0.868 0.395 CA 1.191 39 residues pruned to eliminate duplicates Z: 38 27.809 2.060 0.658 0.668 0.892 0.486 CA 1.285 39 residues pruned to eliminate duplicates Z: 20 19.659 1.817 0.894 0.883 1.000 0.474 CA 0.947 20 residues pruned to eliminate duplicates Z: 40 25.103 2.066 0.542 0.651 0.923 0.410 CA 1.188 41 residues pruned to eliminate duplicates Z: 16 16.109 1.919 1.057 0.787 0.800 0.400 CA 1.023 16 residues pruned to eliminate duplicates Z: 33 21.568 2.049 0.587 0.526 0.844 0.438 CA 1.354 33 residues pruned to eliminate duplicates Z: 11 7.735 1.929 0.618 0.376 0.900 0.500 CA 0.994 11 residues pruned to eliminate duplicates Z: 58 32.192 2.043 0.574 0.578 0.930 0.421 CB 1.323 58 residues pruned to eliminate duplicates Z: 39 23.704 2.046 0.576 0.635 0.895 0.526 CA 1.174 39 residues pruned to eliminate duplicates Z: 53 26.446 2.004 0.559 0.560 0.885 0.442 CA 1.252 53 residues pruned to eliminate duplicates Z: 21 13.616 2.061 0.357 0.536 0.900 0.500 CB 1.168 21 residues pruned to eliminate duplicates Z: 36 23.380 2.032 0.691 0.586 0.886 0.486 CA 1.195 36 residues pruned to eliminate duplicates Z: 14 8.044 1.890 0.187 0.522 0.769 0.462 CA 1.265 14 residues pruned to eliminate duplicates Z: 16 9.014 1.803 0.541 0.503 0.867 0.533 CB 0.963 16 residues pruned to eliminate duplicates Z: 19 12.495 2.052 0.337 0.491 0.833 0.389 CB 1.300 19 residues pruned to eliminate duplicates Z: 18 11.851 2.065 0.192 0.572 0.882 0.471 CB 1.234 18 residues pruned to eliminate duplicates Z: 24 12.684 1.890 0.268 0.508 0.870 0.391 CA 1.260 24 residues pruned to eliminate duplicates Z: 17 13.117 2.074 0.202 0.577 0.938 0.312 CB 1.303 17 residues pruned to eliminate duplicates Z: 34 20.823 2.033 0.519 0.631 0.848 0.424 CA 1.223 34 residues pruned to eliminate duplicates Z: 53 28.052 2.046 0.390 0.526 0.885 0.558 CA 1.507 60 residues pruned to eliminate duplicates Z: 13 12.848 2.066 0.334 0.726 0.833 0.333 CA 1.317 13 residues pruned to eliminate duplicates Z: 12 14.929 2.218 0.313 0.554 0.909 0.364 CA 1.614 12 residues pruned to eliminate duplicates Z: 29 14.790 1.928 0.389 0.443 0.821 0.321 CB 1.348 29 residues pruned to eliminate duplicates Z: 28 13.557 1.980 0.200 0.426 0.889 0.296 CB 1.334 28 residues pruned to eliminate duplicates Z: 20 13.256 2.058 0.280 0.516 0.895 0.316 CB 1.270 20 residues pruned to eliminate duplicates Z: 9 2.195 1.645 0.366 0.134 0.750 0.250 CB 0.726 9 residues pruned to eliminate duplicates Z: 18 12.432 2.031 0.253 0.336 0.882 0.353 CB 1.605 18 residues pruned to eliminate duplicates Z: 10 5.777 1.718 0.407 0.400 0.667 0.444 C 1.328 10 residues pruned to eliminate duplicates Z: 10 10.605 1.896 0.897 0.528 0.667 0.556 N 1.434 10 residues pruned to eliminate duplicates Z: 34 26.672 1.976 0.487 0.602 0.970 0.727 CA 1.478 34 residues pruned to eliminate duplicates Z: 51 28.025 1.942 0.490 0.572 0.940 0.640 CA 1.359 51 residues pruned to eliminate duplicates Z: 23 16.518 2.051 0.439 0.389 0.955 0.545 CA 1.407 23 residues pruned to eliminate duplicates Z: 18 11.978 1.897 0.620 0.268 0.824 0.353 CA 1.494 18 residues pruned to eliminate duplicates Z: 29 20.787 1.945 0.480 0.643 0.893 0.714 CA 1.336 29 residues pruned to eliminate duplicates Z: 51 24.715 1.913 0.412 0.499 0.940 0.540 CA 1.378 51 residues pruned to eliminate duplicates Z: 45 23.199 1.948 0.423 0.552 0.886 0.682 CA 1.352 45 residues pruned to eliminate duplicates Z: 34 26.731 2.094 0.396 0.619 0.939 0.758 CA 1.515 34 residues pruned to eliminate duplicates Z: 27 25.928 2.114 0.465 0.698 0.923 0.808 CA 1.485 27 residues pruned to eliminate duplicates Z: 13 4.986 1.658 0.209 0.453 0.833 0.667 CA 0.904 13 residues pruned to eliminate duplicates Z: 42 22.956 1.940 0.391 0.586 0.927 0.634 CA 1.319 42 residues pruned to eliminate duplicates Z: 35 19.627 1.885 0.272 0.508 0.941 0.559 CA 1.481 35 residues pruned to eliminate duplicates Z: 22 14.921 1.980 0.378 0.560 0.857 0.714 CA 1.314 22 residues pruned to eliminate duplicates Z: 21 15.646 2.060 0.356 0.598 0.900 0.700 CA 1.267 21 residues pruned to eliminate duplicates Z: 44 26.405 1.966 0.298 0.585 0.953 0.698 CA 1.525 44 residues pruned to eliminate duplicates Z: 60 36.624 1.933 0.597 0.542 0.949 0.559 CA 1.561 63 residues pruned to eliminate duplicates Z: 19 19.809 1.896 0.362 0.847 0.889 0.833 CA 1.511 19 residues pruned to eliminate duplicates Z: 49 27.740 1.880 0.558 0.545 0.917 0.562 CB 1.427 49 residues pruned to eliminate duplicates Z: 24 21.779 2.055 0.440 0.581 0.913 0.783 CB 1.555 24 residues pruned to eliminate duplicates Z: 8 20.360 2.136 0.736 0.842 1.000 0.571 N 1.547 8 residues pruned to eliminate duplicates Z: 31 28.624 2.053 0.555 0.627 0.933 0.667 CA 1.556 31 residues pruned to eliminate duplicates Z: 42 34.164 2.019 0.575 0.637 0.951 0.659 CA 1.552 42 residues pruned to eliminate duplicates Z: 47 31.872 1.966 0.573 0.583 0.935 0.630 CA 1.500 44 residues pruned to eliminate duplicates Z: 17 27.957 1.931 0.782 0.855 1.000 0.625 CA 1.499 17 residues pruned to eliminate duplicates Z: 46 33.471 1.993 0.621 0.585 0.956 0.644 CA 1.490 46 residues pruned to eliminate duplicates Z: 31 23.739 1.925 0.591 0.561 0.867 0.500 CA 1.540 31 residues pruned to eliminate duplicates Z: 46 32.679 1.974 0.607 0.581 0.933 0.600 CA 1.522 46 residues pruned to eliminate duplicates Z: 50 35.395 1.998 0.644 0.563 0.918 0.653 CA 1.577 50 residues pruned to eliminate duplicates Z: 22 30.390 1.968 0.563 0.876 1.000 0.667 CA 1.566 22 residues pruned to eliminate duplicates Z: 47 29.728 1.939 0.610 0.562 0.891 0.478 CA 1.484 47 residues pruned to eliminate duplicates Z: 48 23.267 1.883 0.595 0.513 0.830 0.532 CA 1.344 48 residues pruned to eliminate duplicates Z: 29 22.113 1.928 0.517 0.601 0.821 0.321 CA 1.580 29 residues pruned to eliminate duplicates Z: 47 27.174 1.936 0.572 0.564 0.848 0.543 CA 1.460 47 residues pruned to eliminate duplicates Z: 57 31.090 1.953 0.559 0.523 0.839 0.518 CB 1.588 57 residues pruned to eliminate duplicates Z: 46 29.144 1.959 0.526 0.578 0.889 0.556 CA 1.516 46 residues pruned to eliminate duplicates Z: 41 36.396 2.026 0.701 0.632 0.925 0.425 CA 1.594 41 residues pruned to eliminate duplicates Z: 52 25.589 1.961 0.407 0.520 0.863 0.373 CA 1.476 52 residues pruned to eliminate duplicates Z: 9 7.489 1.896 0.452 0.355 0.875 0.125 CB 1.285 9 residues pruned to eliminate duplicates Z: 15 6.456 1.744 0.348 0.224 0.714 0.071 CB 1.419 15 residues pruned to eliminate duplicates Z: 15 10.530 1.841 0.440 0.222 0.929 0.071 CB 1.583 15 residues pruned to eliminate duplicates Z: 23 35.973 2.202 0.640 0.822 1.000 0.727 CB 1.606 23 residues pruned to eliminate duplicates Z: 49 43.701 2.279 0.501 0.660 0.979 0.521 CB 1.624 49 residues pruned to eliminate duplicates Z: 48 39.378 2.236 0.500 0.623 0.915 0.638 CB 1.666 48 residues pruned to eliminate duplicates Z: 103 41.127 2.169 0.412 0.490 0.882 0.451 CB 1.523 103 residues pruned to eliminate duplicates Z: 43 37.996 2.255 0.343 0.686 0.976 0.619 CB 1.672 43 residues pruned to eliminate duplicates Z: 56 32.402 2.215 0.394 0.551 0.873 0.436 CB 1.543 56 residues pruned to eliminate duplicates Z: 49 41.701 2.235 0.464 0.671 0.979 0.562 CB 1.605 49 residues pruned to eliminate duplicates Z: 50 41.619 2.241 0.612 0.632 0.939 0.531 CB 1.549 50 residues pruned to eliminate duplicates Z: 51 41.803 2.257 0.547 0.622 0.960 0.520 CB 1.573 51 residues pruned to eliminate duplicates Z: 39 34.237 2.193 0.493 0.608 0.947 0.526 CB 1.617 39 residues pruned to eliminate duplicates Z: 42 39.885 2.252 0.475 0.700 0.927 0.683 CB 1.686 42 residues pruned to eliminate duplicates Z: 39 32.948 2.231 0.483 0.618 0.895 0.579 CB 1.616 39 residues pruned to eliminate duplicates Z: 43 40.999 2.226 0.535 0.681 0.952 0.667 CB 1.646 43 residues pruned to eliminate duplicates Z: 39 34.779 2.256 0.450 0.661 0.895 0.579 CA 1.660 39 residues pruned to eliminate duplicates Z: 66 37.146 2.166 0.493 0.564 0.908 0.554 CB 1.476 66 residues pruned to eliminate duplicates Z: 42 38.535 2.269 0.468 0.703 0.927 0.610 CB 1.620 42 residues pruned to eliminate duplicates Z: 78 43.062 2.235 0.429 0.543 0.935 0.532 CB 1.577 78 residues pruned to eliminate duplicates Z: 41 41.387 2.269 0.552 0.706 0.975 0.625 CB 1.580 41 residues pruned to eliminate duplicates Z: 45 44.723 2.200 0.609 0.710 0.977 0.614 CB 1.612 45 residues pruned to eliminate duplicates Z: 53 42.082 2.240 0.577 0.623 0.942 0.462 CB 1.561 53 residues pruned to eliminate duplicates Z: 42 40.573 2.279 0.529 0.693 0.902 0.439 CB 1.688 42 residues pruned to eliminate duplicates Z: 22 27.539 2.277 0.493 0.591 0.952 0.619 CB 1.701 22 residues pruned to eliminate duplicates Z: 47 46.860 2.286 0.691 0.695 1.000 0.587 CB 1.496 47 residues pruned to eliminate duplicates Z: 108 41.900 2.144 0.502 0.472 0.869 0.467 CB 1.489 108 residues pruned to eliminate duplicates Z: 43 43.628 2.258 0.639 0.674 0.976 0.476 CB 1.587 43 residues pruned to eliminate duplicates Z: 29 26.304 2.250 0.589 0.577 0.893 0.464 CB 1.445 29 residues pruned to eliminate duplicates Z: 16 15.483 2.237 0.202 0.552 0.867 0.533 CB 1.632 16 residues pruned to eliminate duplicates Z: 36 22.703 2.142 0.351 0.505 0.857 0.457 CA 1.540 36 residues pruned to eliminate duplicates Z: 43 44.626 2.252 0.595 0.692 0.976 0.571 CB 1.647 43 residues pruned to eliminate duplicates Z: 52 36.861 2.247 0.625 0.612 0.863 0.471 CB 1.474 52 residues pruned to eliminate duplicates Z: 24 17.925 2.173 0.599 0.519 0.826 0.348 CB 1.279 24 residues pruned to eliminate duplicates Z: 56 22.402 2.170 0.301 0.351 0.836 0.364 CB 1.503 56 residues pruned to eliminate duplicates Z: 60 36.471 2.202 0.604 0.553 0.864 0.441 CB 1.478 60 residues pruned to eliminate duplicates Z: 33 19.895 2.146 0.558 0.446 0.781 0.312 CB 1.423 33 residues pruned to eliminate duplicates Z: 57 35.864 2.206 0.487 0.559 0.893 0.446 CB 1.545 57 residues pruned to eliminate duplicates Z: 51 41.389 2.255 0.540 0.623 0.960 0.480 CB 1.564 51 residues pruned to eliminate duplicates Z: 65 36.855 2.203 0.574 0.507 0.891 0.406 CB 1.481 65 residues pruned to eliminate duplicates Z: 56 25.961 2.154 0.476 0.328 0.873 0.382 CB 1.524 56 residues pruned to eliminate duplicates Z: 73 43.407 2.130 0.501 0.590 0.944 0.486 CB 1.554 73 residues pruned to eliminate duplicates Z: 80 46.877 2.241 0.587 0.519 0.911 0.506 CB 1.597 80 residues pruned to eliminate duplicates Z: 55 28.181 2.209 0.434 0.385 0.889 0.426 CB 1.539 55 residues pruned to eliminate duplicates Z: 8 12.006 2.313 0.906 0.383 0.857 0.429 CB 1.360 8 residues pruned to eliminate duplicates Z: 104 44.085 2.202 0.479 0.465 0.883 0.408 CB 1.564 112 residues pruned to eliminate duplicates Z: 6 6.116 1.614 1.350 0.344 0.800 0.600 C 1.068 6 residues pruned to eliminate duplicates Z: 27 15.981 2.260 0.299 0.288 0.808 0.385 CB 1.678 27 residues pruned to eliminate duplicates Z: 28 16.908 2.248 0.334 0.307 0.852 0.481 CA 1.578 28 residues pruned to eliminate duplicates Z: 80 42.126 2.216 0.505 0.494 0.873 0.468 CB 1.637 80 residues pruned to eliminate duplicates Z: 33 19.288 2.206 0.493 0.297 0.812 0.344 CA 1.600 33 residues pruned to eliminate duplicates Z: 51 23.873 2.176 0.448 0.334 0.820 0.440 CB 1.566 51 residues pruned to eliminate duplicates Z: 53 22.969 2.153 0.374 0.346 0.827 0.385 CB 1.539 53 residues pruned to eliminate duplicates Z: 58 25.029 2.185 0.443 0.314 0.825 0.491 CB 1.567 58 residues pruned to eliminate duplicates Z: 51 23.014 2.181 0.378 0.325 0.820 0.460 CB 1.602 51 residues pruned to eliminate duplicates Z: 109 44.996 2.174 0.434 0.468 0.907 0.463 CB 1.581 109 residues pruned to eliminate duplicates Z: 41 19.369 2.145 0.358 0.311 0.850 0.400 CB 1.525 41 residues pruned to eliminate duplicates Z: 67 31.141 2.211 0.415 0.430 0.879 0.545 CB 1.499 67 residues pruned to eliminate duplicates Z: 94 38.029 2.178 0.403 0.465 0.839 0.505 CB 1.595 57 residues pruned to eliminate duplicates Z: 6 4.232 1.500 0.346 0.428 0.800 0.200 N 1.263 6 residues pruned to eliminate duplicates Z: 106 42.990 2.191 0.542 0.457 0.848 0.419 CB 1.531 106 residues pruned to eliminate duplicates Z: 30 16.163 2.059 0.408 0.366 0.862 0.379 CB 1.387 30 residues pruned to eliminate duplicates Z: 59 23.243 2.172 0.402 0.304 0.810 0.345 CB 1.539 59 residues pruned to eliminate duplicates Z: 38 18.203 2.160 0.452 0.302 0.811 0.432 CA 1.467 38 residues pruned to eliminate duplicates Z: 48 21.300 2.135 0.358 0.325 0.809 0.404 CA 1.608 48 residues pruned to eliminate duplicates Z: 28 14.711 2.074 0.419 0.392 0.815 0.519 CB 1.323 28 residues pruned to eliminate duplicates Z: 29 16.855 2.068 0.417 0.373 0.893 0.429 CB 1.394 29 residues pruned to eliminate duplicates Z: 34 17.711 2.058 0.416 0.365 0.848 0.424 CB 1.442 34 residues pruned to eliminate duplicates Z: 31 13.607 1.958 0.126 0.415 0.867 0.467 CB 1.421 31 residues pruned to eliminate duplicates Z: 32 12.356 1.963 0.309 0.326 0.774 0.355 CB 1.349 32 residues pruned to eliminate duplicates Z: 18 10.956 1.972 0.232 0.376 0.882 0.412 CB 1.416 18 residues pruned to eliminate duplicates Z: 47 23.344 2.155 0.385 0.346 0.870 0.478 CA 1.568 47 residues pruned to eliminate duplicates Z: 51 21.416 2.153 0.261 0.346 0.840 0.480 CB 1.570 51 residues pruned to eliminate duplicates Z: 94 37.053 2.158 0.568 0.441 0.817 0.398 CB 1.476 29 residues pruned to eliminate duplicates Z: 10 14.294 1.959 0.370 0.792 0.889 0.556 CA 1.546 10 residues pruned to eliminate duplicates Z: 13 14.525 1.936 0.285 0.723 0.917 0.667 CB 1.504 13 residues pruned to eliminate duplicates Z: 13 14.651 1.956 0.309 0.676 1.000 0.667 CA 1.405 13 residues pruned to eliminate duplicates Z: 14 16.114 1.910 0.345 0.742 1.000 0.692 CA 1.402 14 residues pruned to eliminate duplicates Z: 18 11.753 1.794 0.320 0.513 0.941 0.588 CA 1.262 18 residues pruned to eliminate duplicates Z: 12 18.018 1.965 0.657 0.725 0.909 0.727 CA 1.498 12 residues pruned to eliminate duplicates Z: 14 14.873 1.893 0.351 0.756 1.000 0.538 CA 1.284 14 residues pruned to eliminate duplicates Z: 14 12.358 1.842 0.388 0.635 0.846 0.538 N 1.396 14 residues pruned to eliminate duplicates Z: 13 13.629 1.877 0.366 0.650 0.917 0.583 N 1.457 13 residues pruned to eliminate duplicates Z: 12 7.284 1.982 0.364 0.333 0.818 0.273 CB 1.192 12 residues pruned to eliminate duplicates Z: 27 18.003 2.099 0.357 0.622 0.885 0.500 CB 1.249 27 residues pruned to eliminate duplicates Z: 20 15.659 2.068 0.351 0.633 0.842 0.474 CB 1.347 20 residues pruned to eliminate duplicates Z: 23 19.419 2.200 0.329 0.669 0.909 0.500 CB 1.333 23 residues pruned to eliminate duplicates Z: 16 13.711 2.048 0.625 0.533 0.933 0.533 CB 1.103 16 residues pruned to eliminate duplicates Z: 20 23.003 2.222 0.573 0.735 0.895 0.526 CB 1.367 20 residues pruned to eliminate duplicates Z: 18 19.159 2.201 0.599 0.608 0.824 0.353 CB 1.447 17 residues pruned to eliminate duplicates Z: 20 27.491 2.097 0.738 0.893 1.000 0.632 CB 1.242 20 residues pruned to eliminate duplicates Z: 28 18.079 2.094 0.527 0.610 0.852 0.407 CB 1.151 29 residues pruned to eliminate duplicates Z: 19 28.997 2.099 0.757 0.899 1.000 0.500 CB 1.324 19 residues pruned to eliminate duplicates Z: 36 22.264 2.105 0.474 0.523 0.857 0.429 CB 1.384 37 residues pruned to eliminate duplicates Z: 21 27.594 2.080 0.775 0.917 0.950 0.700 CA 1.241 21 residues pruned to eliminate duplicates Z: 35 20.312 2.142 0.490 0.505 0.794 0.412 CB 1.368 35 residues pruned to eliminate duplicates Z: 17 21.128 2.221 0.565 0.702 0.875 0.438 CB 1.446 17 residues pruned to eliminate duplicates Z: 35 22.429 2.120 0.549 0.547 0.794 0.382 CB 1.409 40 residues pruned to eliminate duplicates Z: 14 8.294 1.936 0.657 0.833 0.692 0.462 CB 0.777 14 residues pruned to eliminate duplicates Z: 12 10.494 1.967 0.681 0.624 0.727 0.364 CA 1.170 12 residues pruned to eliminate duplicates Z: 30 19.196 2.106 0.495 0.559 0.793 0.310 CB 1.348 30 residues pruned to eliminate duplicates Z: 20 12.500 2.004 0.559 0.389 0.737 0.421 CA 1.400 20 residues pruned to eliminate duplicates Z: 35 19.899 2.061 0.637 0.540 0.676 0.382 CB 1.438 35 residues pruned to eliminate duplicates Z: 22 12.799 2.000 0.514 0.367 0.810 0.286 CB 1.315 22 residues pruned to eliminate duplicates Z: 15 13.527 2.043 0.897 0.688 0.786 0.357 CA 0.999 15 residues pruned to eliminate duplicates Z: 22 12.124 1.990 0.543 0.397 0.714 0.429 CB 1.344 22 residues pruned to eliminate duplicates Z: 36 22.843 2.143 0.548 0.518 0.800 0.343 CB 1.429 35 residues pruned to eliminate duplicates Z: 10 8.950 2.015 0.494 0.658 0.778 0.111 CA 1.100 10 residues pruned to eliminate duplicates Z: 20 9.400 1.994 0.287 0.394 0.737 0.263 CB 1.276 20 residues pruned to eliminate duplicates Z: 20 11.895 2.023 0.538 0.376 0.737 0.368 CB 1.359 20 residues pruned to eliminate duplicates Z: 9 4.601 2.102 0.193 0.262 0.500 0.500 CB 1.704 9 residues pruned to eliminate duplicates Z: 13 7.859 1.863 0.619 0.313 0.667 0.250 CA 1.388 13 residues pruned to eliminate duplicates Z: 12 4.286 1.903 0.394 0.216 0.545 0.455 CB 1.247 12 residues pruned to eliminate duplicates Z: 21 12.083 1.932 0.526 0.445 0.800 0.450 CB 1.212 21 residues pruned to eliminate duplicates Z: 10 6.642 1.938 0.420 0.366 0.667 0.556 CB 1.394 10 residues pruned to eliminate duplicates Z: 7 2.546 1.418 0.447 0.192 0.667 0.333 CA 1.098 7 residues pruned to eliminate duplicates Z: 10 4.160 1.910 0.067 0.208 0.667 0.333 CB 1.441 10 residues pruned to eliminate duplicates Z: 9 5.882 1.853 0.424 0.256 0.750 0.125 CB 1.391 9 residues pruned to eliminate duplicates Z: 26 12.660 1.859 0.339 0.402 0.800 0.400 CB 1.411 27 residues pruned to eliminate duplicates Z: 7 3.020 1.299 -0.038 0.494 1.000 0.500 CA 0.992 7 residues pruned to eliminate duplicates Z: 14 10.540 1.913 0.524 0.446 0.846 0.462 CB 1.253 14 residues pruned to eliminate duplicates Z: 11 12.511 1.914 0.489 0.602 0.900 0.700 CA 1.400 11 residues pruned to eliminate duplicates Z: 15 9.121 1.808 0.410 0.488 0.786 0.714 CA 1.232 15 residues pruned to eliminate duplicates Z: 9 6.957 1.747 0.482 0.492 0.750 0.500 CB 1.277 9 residues pruned to eliminate duplicates Z: 15 10.419 1.871 0.440 0.435 0.857 0.500 CB 1.290 15 residues pruned to eliminate duplicates Z: 11 7.346 1.902 0.360 0.568 0.600 0.500 CA 1.401 11 residues pruned to eliminate duplicates Z: 12 11.256 1.904 0.455 0.532 0.909 0.545 CB 1.307 12 residues pruned to eliminate duplicates Z: 11 15.019 1.959 0.524 0.585 1.000 0.600 CA 1.466 11 residues pruned to eliminate duplicates Z: 28 15.592 2.043 0.362 0.365 0.889 0.519 CB 1.403 28 residues pruned to eliminate duplicates Z: 7 3.321 1.962 0.334 0.204 0.500 0.333 N 1.471 7 residues pruned to eliminate duplicates Z: 27 14.801 2.037 0.571 0.288 0.846 0.462 CB 1.360 27 residues pruned to eliminate duplicates Z: 35 17.579 1.994 0.486 0.323 0.853 0.353 CB 1.450 35 residues pruned to eliminate duplicates Z: 11 7.619 1.965 0.529 0.267 0.800 0.400 CB 1.308 11 residues pruned to eliminate duplicates Z: 33 16.600 1.978 0.415 0.325 0.906 0.438 CB 1.403 33 residues pruned to eliminate duplicates Z: 30 15.515 2.001 0.569 0.309 0.828 0.345 CB 1.370 30 residues pruned to eliminate duplicates Z: 29 13.524 2.034 0.405 0.335 0.786 0.429 CB 1.364 29 residues pruned to eliminate duplicates Z: 28 14.272 2.014 0.403 0.327 0.778 0.333 CB 1.511 28 residues pruned to eliminate duplicates Z: 21 12.364 1.993 0.317 0.333 0.850 0.500 CB 1.487 21 residues pruned to eliminate duplicates Z: 28 14.686 2.037 0.339 0.367 0.815 0.444 CB 1.466 28 residues pruned to eliminate duplicates Z: 30 12.998 2.017 0.346 0.313 0.862 0.448 CB 1.269 30 residues pruned to eliminate duplicates Z: 26 13.213 2.072 0.227 0.364 0.800 0.400 CB 1.504 26 residues pruned to eliminate duplicates Z: 33 16.883 2.000 0.424 0.336 0.875 0.438 CB 1.432 33 residues pruned to eliminate duplicates Z: 28 15.982 2.059 0.348 0.337 0.852 0.444 CB 1.554 28 residues pruned to eliminate duplicates Z: 28 14.514 2.064 0.417 0.371 0.778 0.444 CB 1.409 28 residues pruned to eliminate duplicates Z: 27 14.274 2.095 0.297 0.347 0.846 0.500 CB 1.437 27 residues pruned to eliminate duplicates Z: 13 8.792 2.106 0.281 0.321 0.833 0.500 CB 1.375 13 residues pruned to eliminate duplicates Z: 19 15.401 2.044 0.403 0.424 0.944 0.611 CB 1.450 19 residues pruned to eliminate duplicates Z: 32 15.394 1.996 0.365 0.342 0.871 0.419 CB 1.384 32 residues pruned to eliminate duplicates Z: 32 16.364 2.004 0.417 0.357 0.839 0.419 CB 1.439 32 residues pruned to eliminate duplicates Z: 10 8.756 2.084 0.565 0.400 0.889 0.333 CB 1.119 10 residues pruned to eliminate duplicates Z: 28 16.260 2.048 0.463 0.334 0.889 0.296 CB 1.409 28 residues pruned to eliminate duplicates Z: 15 8.606 1.835 0.433 0.465 0.786 0.357 CB 1.154 15 residues pruned to eliminate duplicates Z: 33 16.270 1.923 0.300 0.367 0.938 0.375 N 1.417 33 residues pruned to eliminate duplicates Z: 16 7.970 1.854 0.387 0.320 0.867 0.267 CB 1.125 16 residues pruned to eliminate duplicates Z: 10 7.197 1.958 0.391 0.313 1.000 0.222 CB 1.083 10 residues pruned to eliminate duplicates Z: 16 8.911 1.811 0.357 0.321 0.867 0.400 CB 1.315 16 residues pruned to eliminate duplicates Z: 21 15.139 1.948 0.336 0.484 1.000 0.550 CB 1.322 21 residues pruned to eliminate duplicates Z: 32 15.061 1.995 0.317 0.361 0.903 0.484 CB 1.324 32 residues pruned to eliminate duplicates Z: 15 10.258 1.825 0.351 0.522 1.000 0.643 CB 1.088 15 residues pruned to eliminate duplicates Z: 9 12.400 2.073 0.280 0.767 1.000 0.750 CA 1.304 9 residues pruned to eliminate duplicates Z: 27 16.777 2.001 0.475 0.474 0.885 0.654 CB 1.294 27 residues pruned to eliminate duplicates Z: 10 13.032 2.060 0.152 0.862 1.000 0.889 CA 1.344 10 residues pruned to eliminate duplicates Z: 13 11.035 1.913 0.423 0.610 0.833 0.583 CB 1.266 13 residues pruned to eliminate duplicates Z: 43 19.900 2.009 0.402 0.418 0.881 0.524 CB 1.348 43 residues pruned to eliminate duplicates Z: 6 2.521 1.207 0.130 0.418 1.000 0.600 CA 0.900 Z: 8 5.672 1.898 0.195 0.431 0.857 0.286 CA 1.184 8 residues pruned to eliminate duplicates Z: 16 15.575 2.044 0.474 0.552 0.867 0.400 CA 1.464 22 residues pruned to eliminate duplicates Z: 11 9.131 1.688 0.358 0.855 1.000 0.500 CA 0.930 11 residues pruned to eliminate duplicates Z: 20 17.939 1.972 0.676 0.569 0.895 0.526 CA 1.302 20 residues pruned to eliminate duplicates Z: 7 12.508 1.938 0.770 0.860 1.000 0.500 CA 1.095 7 residues pruned to eliminate duplicates Z: 21 15.915 1.907 0.589 0.529 0.900 0.500 CA 1.268 21 residues pruned to eliminate duplicates 7 1.599 1.581 0.766 0.236 0.333 0.167 CB 0.953 ? Z: 18 11.013 1.828 0.701 0.411 0.765 0.471 CA 1.233 18 residues pruned to eliminate duplicates 6 1.090 1.539 0.734 0.100 0.400 0.200 CB 0.761 ? Z: 11 7.463 1.928 0.103 0.519 0.800 0.500 N 1.362 11 residues pruned to eliminate duplicates Z: 23 8.587 1.743 0.184 0.366 0.773 0.409 CA 1.326 23 residues pruned to eliminate duplicates Z: 8 5.691 1.846 0.131 0.431 0.857 0.571 CB 1.290 8 residues pruned to eliminate duplicates Z: 11 6.998 1.850 0.097 0.549 0.800 0.600 CA 1.300 11 residues pruned to eliminate duplicates Z: 14 6.516 1.801 0.061 0.439 0.846 0.538 N 1.191 14 residues pruned to eliminate duplicates Z: 19 10.089 1.767 0.293 0.533 0.778 0.500 CA 1.296 19 residues pruned to eliminate duplicates Z: 12 6.818 1.800 -0.014 0.509 0.818 0.727 CA 1.404 12 residues pruned to eliminate duplicates Z: 12 6.831 1.841 0.051 0.483 0.818 0.636 CB 1.324 12 residues pruned to eliminate duplicates Z: 25 11.527 1.898 0.051 0.398 0.917 0.500 CB 1.434 25 residues pruned to eliminate duplicates Z: 8 5.690 1.660 0.337 0.464 0.857 0.714 CA 1.173 8 residues pruned to eliminate duplicates Z: 21 9.120 1.832 0.205 0.383 0.800 0.300 CA 1.307 21 residues pruned to eliminate duplicates Z: 36 15.578 1.943 0.066 0.444 0.914 0.543 CB 1.472 36 residues pruned to eliminate duplicates Z: 24 16.786 2.022 0.198 0.495 0.957 0.522 CB 1.520 24 residues pruned to eliminate duplicates Z: 7 4.962 1.757 0.106 0.422 0.833 0.000 N 1.357 7 residues pruned to eliminate duplicates Z: 22 16.746 2.039 0.311 0.463 0.952 0.524 CB 1.490 22 residues pruned to eliminate duplicates Z: 35 16.819 1.964 0.120 0.506 0.912 0.647 CB 1.430 35 residues pruned to eliminate duplicates Z: 28 17.775 1.974 0.181 0.529 0.926 0.556 CB 1.539 28 residues pruned to eliminate duplicates Z: 26 14.244 1.922 0.230 0.470 0.880 0.440 CB 1.411 26 residues pruned to eliminate duplicates Z: 23 16.627 2.028 0.201 0.514 0.955 0.545 CB 1.504 23 residues pruned to eliminate duplicates Z: 37 17.485 1.919 0.191 0.490 0.889 0.583 CB 1.448 37 residues pruned to eliminate duplicates Z: 23 18.304 2.044 0.244 0.516 1.000 0.545 CB 1.511 23 residues pruned to eliminate duplicates Z: 20 13.750 2.046 0.242 0.496 0.842 0.632 CB 1.481 20 residues pruned to eliminate duplicates Z: 21 18.293 2.094 0.206 0.565 1.000 0.600 CB 1.520 21 residues pruned to eliminate duplicates Z: 23 16.617 2.015 0.344 0.469 0.955 0.545 CB 1.413 23 residues pruned to eliminate duplicates Z: 14 20.259 2.157 0.503 0.584 1.000 0.769 CB 1.599 15 residues pruned to eliminate duplicates Z: 6 4.825 1.438 0.730 0.389 1.000 0.400 CA 0.976 6 residues pruned to eliminate duplicates Z: 15 20.338 2.157 0.418 0.581 1.000 0.786 CA 1.644 15 residues pruned to eliminate duplicates Z: 14 21.059 2.195 0.506 0.574 1.000 0.769 CA 1.645 14 residues pruned to eliminate duplicates 514 residues left after pruning, divided into chains as follows: A: 6 B: 20 C: 6 D: 7 E: 8 F: 11 G: 10 H: 19 I: 6 J: 16 K: 109 L: 105 M: 36 N: 26 O: 33 P: 7 Q: 18 R: 34 S: 26 T: 11 CC for partial structure against native data = 16.94 % ------------------------------------------------------------------------------ Global autotracing cycle 29 = 0.300, Contrast = 0.406, Connect. = 0.677 for dens.mod. cycle 1 = 0.300, Contrast = 0.470, Connect. = 0.699 for dens.mod. cycle 2 = 0.300, Contrast = 0.540, Connect. = 0.734 for dens.mod. cycle 3 = 0.300, Contrast = 0.548, Connect. = 0.740 for dens.mod. cycle 4 = 0.300, Contrast = 0.556, Connect. = 0.745 for dens.mod. cycle 5 = 0.300, Contrast = 0.560, Connect. = 0.749 for dens.mod. cycle 6 = 0.300, Contrast = 0.565, Connect. = 0.752 for dens.mod. cycle 7 = 0.300, Contrast = 0.567, Connect. = 0.754 for dens.mod. cycle 8 = 0.300, Contrast = 0.569, Connect. = 0.755 for dens.mod. cycle 9 = 0.300, Contrast = 0.570, Connect. = 0.757 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6930 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1183 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 24 28.643 2.024 0.485 0.822 0.957 0.826 CB 1.571 B: 29 17.905 1.958 0.269 0.485 0.929 0.571 CA 1.488 C: 22 25.339 2.104 0.173 0.830 1.000 0.667 CB 1.685 22 residues pruned to eliminate duplicates D: 20 34.947 2.249 0.428 0.892 1.000 0.789 CB 1.793 24 residues pruned to eliminate duplicates E: 21 32.540 2.200 0.355 0.912 1.000 0.750 CB 1.729 21 residues pruned to eliminate duplicates F: 21 33.805 2.305 0.337 0.896 1.000 0.850 CB 1.756 20 residues pruned to eliminate duplicates G: 13 9.970 1.839 0.414 0.415 0.833 0.667 CB 1.452 H: 13 8.966 2.159 0.317 0.389 0.750 0.417 CB 1.366 I: 21 29.047 2.260 0.193 0.889 1.000 0.800 CB 1.735 21 residues pruned to eliminate duplicates J: 21 38.529 2.316 0.590 0.911 0.950 0.700 CB 1.746 21 residues pruned to eliminate duplicates K: 22 31.971 2.197 0.498 0.808 0.952 0.429 CB 1.702 22 residues pruned to eliminate duplicates L: 17 17.419 2.090 0.258 0.806 1.000 0.688 CB 1.269 M: 6 4.000 2.110 -0.050 0.300 0.800 0.600 CA 1.395 N: 21 26.634 2.083 0.285 0.906 1.000 0.800 CB 1.582 O: 21 33.455 2.237 0.527 0.884 0.950 0.650 CB 1.666 21 residues pruned to eliminate duplicates P: 21 33.659 2.250 0.424 0.904 1.000 0.800 CB 1.673 21 residues pruned to eliminate duplicates Q: 8 7.259 1.991 0.427 0.548 0.571 0.571 C 1.613 R: 22 29.618 2.216 0.383 0.863 0.952 0.714 CB 1.625 22 residues pruned to eliminate duplicates S: 28 15.031 2.064 0.376 0.541 0.852 0.481 CB 1.148 T: 16 10.088 2.014 0.333 0.423 0.867 0.600 CB 1.213 U: 9 7.349 1.874 0.302 0.631 0.875 0.625 CA 1.076 V: 22 29.815 2.179 0.310 0.888 1.000 0.429 CB 1.641 34 residues pruned to eliminate duplicates W: 8 5.672 1.950 0.035 0.213 0.857 0.571 O 1.738 X: 22 28.497 2.143 0.451 0.885 1.000 0.857 CB 1.444 22 residues pruned to eliminate duplicates Y: 8 9.177 1.466 0.465 0.837 1.000 0.714 N 1.208 8 residues pruned to eliminate duplicates Z: 11 11.634 2.105 0.244 0.573 0.900 0.900 CA 1.455 Z: 43 38.342 2.199 0.643 0.666 0.929 0.548 CB 1.513 35 residues pruned to eliminate duplicates Z: 11 4.217 1.842 -0.237 0.466 0.700 0.500 CB 1.404 12 residues pruned to eliminate duplicates Z: 18 29.563 2.213 0.885 0.922 0.882 0.706 CB 1.370 18 residues pruned to eliminate duplicates Z: 20 42.733 2.235 1.006 0.919 0.895 0.579 CB 1.723 20 residues pruned to eliminate duplicates Z: 14 16.662 2.197 0.388 0.898 0.846 0.769 CB 1.281 16 residues pruned to eliminate duplicates Z: 24 16.064 2.001 0.533 0.382 0.870 0.348 CA 1.423 8 residues pruned to eliminate duplicates Z: 10 2.925 1.802 0.411 0.429 0.889 0.556 CB 0.464 10 residues pruned to eliminate duplicates Z: 8 4.679 1.777 0.261 0.228 0.714 0.429 CA 1.519 Z: 21 39.710 2.281 0.562 0.886 1.000 0.800 CB 1.799 21 residues pruned to eliminate duplicates Z: 12 6.696 1.648 0.553 0.362 0.818 0.727 CB 1.119 12 residues pruned to eliminate duplicates Z: 7 7.272 1.849 0.752 0.442 0.833 0.500 CB 1.167 Z: 49 37.486 2.226 0.562 0.630 0.917 0.542 CB 1.502 49 residues pruned to eliminate duplicates Z: 21 26.559 1.991 0.414 0.890 0.950 0.800 CA 1.597 22 residues pruned to eliminate duplicates Z: 20 22.721 2.158 0.593 0.867 0.895 0.737 CB 1.240 14 residues pruned to eliminate duplicates Z: 10 7.568 1.899 0.230 0.413 0.889 0.556 N 1.330 9 residues pruned to eliminate duplicates Z: 15 12.283 2.090 0.129 0.619 0.929 0.714 CB 1.340 15 residues pruned to eliminate duplicates Z: 22 37.670 2.072 0.672 0.931 1.000 0.905 CA 1.658 20 residues pruned to eliminate duplicates Z: 10 12.143 2.006 0.240 0.528 0.889 0.444 CA 1.781 10 residues pruned to eliminate duplicates Z: 19 22.592 2.086 0.598 0.912 0.944 0.722 CB 1.198 19 residues pruned to eliminate duplicates Z: 15 15.419 1.959 0.388 0.764 0.857 0.429 CB 1.398 15 residues pruned to eliminate duplicates Z: 7 5.764 1.746 0.165 0.600 0.833 0.667 CB 1.263 Z: 6 8.405 1.733 0.615 0.590 1.000 0.600 CB 1.232 Z: 32 10.521 1.797 0.305 0.358 0.710 0.355 CB 1.323 Z: 10 13.484 2.139 0.501 0.774 0.778 0.333 CB 1.413 10 residues pruned to eliminate duplicates Z: 11 18.231 2.197 0.416 0.876 1.000 0.800 CA 1.347 11 residues pruned to eliminate duplicates Z: 7 3.555 1.660 0.053 0.397 0.833 0.667 CB 1.111 5 residues pruned to eliminate duplicates Z: 16 17.094 2.101 0.685 0.845 0.867 0.867 CA 1.070 Z: 12 11.782 2.081 0.321 0.777 0.818 0.636 CB 1.237 Z: 16 23.328 2.048 0.442 0.841 0.933 0.800 CB 1.630 17 residues pruned to eliminate duplicates Z: 23 26.444 1.950 0.517 0.868 0.955 0.773 CB 1.459 22 residues pruned to eliminate duplicates Z: 22 32.939 2.208 0.413 0.880 1.000 0.857 CB 1.670 22 residues pruned to eliminate duplicates Z: 15 12.724 2.020 0.309 0.516 1.000 0.714 CB 1.265 14 residues pruned to eliminate duplicates Z: 6 4.787 1.780 0.230 0.454 0.800 0.400 CB 1.281 Z: 8 9.010 1.874 0.062 0.789 1.000 0.714 CB 1.327 8 residues pruned to eliminate duplicates Z: 16 8.339 1.936 0.474 0.319 0.667 0.467 CB 1.382 16 residues pruned to eliminate duplicates Z: 12 12.091 2.042 0.281 0.488 0.909 0.545 CB 1.552 Z: 11 11.889 1.893 0.060 0.830 1.000 0.500 CB 1.409 11 residues pruned to eliminate duplicates Z: 24 15.050 2.060 0.326 0.551 0.957 0.696 CA 1.143 21 residues pruned to eliminate duplicates Z: 6 5.154 1.848 0.079 0.600 1.000 0.400 N 1.050 6 residues pruned to eliminate duplicates Z: 106 38.923 2.153 0.421 0.458 0.867 0.505 CB 1.496 41 residues pruned to eliminate duplicates Z: 11 4.366 1.794 0.287 0.378 0.800 0.500 CB 0.851 6 residues pruned to eliminate duplicates Z: 17 22.140 2.027 0.635 0.661 0.938 0.500 CA 1.535 Z: 65 23.584 2.164 0.390 0.345 0.781 0.438 CB 1.484 65 residues pruned to eliminate duplicates Z: 40 17.633 2.048 0.382 0.344 0.795 0.436 CB 1.488 40 residues pruned to eliminate duplicates Z: 10 12.044 2.136 0.027 0.852 1.000 0.667 CB 1.353 10 residues pruned to eliminate duplicates Z: 12 17.027 1.930 0.806 0.818 0.909 0.727 CA 1.229 9 residues pruned to eliminate duplicates Z: 16 10.881 2.060 0.248 0.542 0.933 0.667 CB 1.123 16 residues pruned to eliminate duplicates Z: 22 20.284 1.944 0.508 0.858 0.952 0.714 CB 1.167 22 residues pruned to eliminate duplicates Z: 11 3.345 1.761 0.358 0.293 0.900 0.600 CB 0.620 11 residues pruned to eliminate duplicates Z: 53 23.056 2.131 0.359 0.334 0.846 0.442 CB 1.564 25 residues pruned to eliminate duplicates Z: 9 18.851 2.140 0.465 0.869 1.000 0.625 CB 1.553 9 residues pruned to eliminate duplicates Z: 6 5.350 1.695 0.116 0.583 1.000 0.600 CB 1.168 Z: 31 16.393 2.060 0.463 0.353 0.867 0.600 CB 1.343 Z: 13 12.108 1.859 0.420 0.591 0.917 0.750 CA 1.324 13 residues pruned to eliminate duplicates Z: 28 19.095 2.042 0.548 0.412 0.926 0.481 CB 1.377 28 residues pruned to eliminate duplicates Z: 14 8.857 1.939 0.215 0.480 0.692 0.462 N 1.537 10 residues pruned to eliminate duplicates Z: 65 23.201 2.171 0.337 0.347 0.781 0.453 CB 1.510 60 residues pruned to eliminate duplicates Z: 17 20.564 1.922 0.625 0.886 0.875 0.500 N 1.356 17 residues pruned to eliminate duplicates Z: 11 12.319 2.135 0.201 0.539 0.900 0.700 CA 1.624 11 residues pruned to eliminate duplicates Z: 12 13.391 2.056 0.138 0.866 1.000 0.727 CA 1.263 12 residues pruned to eliminate duplicates Z: 16 5.387 1.771 0.088 0.330 0.733 0.467 CB 1.186 16 residues pruned to eliminate duplicates Z: 10 12.030 2.132 -0.063 0.847 1.000 0.778 CB 1.491 10 residues pruned to eliminate duplicates Z: 22 42.169 2.158 0.740 0.895 1.000 0.857 CA 1.757 22 residues pruned to eliminate duplicates Z: 19 21.276 1.973 0.939 0.843 0.889 0.833 CA 1.098 19 residues pruned to eliminate duplicates Z: 12 8.490 1.777 0.317 0.512 0.818 0.455 CB 1.321 11 residues pruned to eliminate duplicates Z: 21 23.502 2.067 0.697 0.875 1.000 0.750 CA 1.089 21 residues pruned to eliminate duplicates Z: 31 14.692 2.007 0.439 0.361 0.833 0.400 CB 1.295 31 residues pruned to eliminate duplicates Z: 7 5.555 1.794 0.416 0.458 0.833 0.667 N 1.118 7 residues pruned to eliminate duplicates Z: 25 17.376 2.146 0.421 0.371 0.875 0.333 CA 1.527 25 residues pruned to eliminate duplicates Z: 20 32.698 2.278 0.462 0.859 0.947 0.684 CB 1.749 20 residues pruned to eliminate duplicates Z: 21 24.094 2.005 0.286 0.897 0.900 0.750 CB 1.660 21 residues pruned to eliminate duplicates Z: 12 13.626 1.932 0.454 0.568 0.909 0.545 CA 1.506 Z: 11 18.519 2.092 0.265 0.836 1.000 0.400 CB 1.657 11 residues pruned to eliminate duplicates Z: 20 13.359 1.894 0.362 0.489 0.842 0.421 CA 1.426 12 residues pruned to eliminate duplicates Z: 18 19.211 2.021 0.515 0.900 0.941 0.765 CA 1.155 18 residues pruned to eliminate duplicates 7 1.926 1.724 -0.040 0.288 0.667 0.333 CB 0.904 ? Z: 15 16.100 2.077 0.399 0.528 0.929 0.786 CA 1.552 15 residues pruned to eliminate duplicates Z: 10 12.701 2.158 0.302 0.555 1.000 0.667 CB 1.428 10 residues pruned to eliminate duplicates Z: 10 13.643 1.753 0.264 0.902 1.000 0.778 CA 1.464 9 residues pruned to eliminate duplicates Z: 18 20.879 2.142 0.339 0.890 1.000 0.824 CB 1.270 18 residues pruned to eliminate duplicates Z: 12 4.310 1.883 0.116 0.232 0.636 0.545 CA 1.328 12 residues pruned to eliminate duplicates Z: 14 7.704 1.879 0.271 0.394 0.846 0.692 CB 1.182 14 residues pruned to eliminate duplicates Z: 9 6.619 1.763 0.263 0.405 1.000 0.375 CB 1.162 9 residues pruned to eliminate duplicates Z: 27 29.789 2.145 0.591 0.647 0.923 0.500 CA 1.617 27 residues pruned to eliminate duplicates Z: 21 11.688 1.810 0.320 0.498 0.900 0.500 CA 1.218 19 residues pruned to eliminate duplicates Z: 16 33.088 2.232 0.625 0.894 1.000 0.600 CB 1.689 16 residues pruned to eliminate duplicates Z: 6 5.476 1.899 0.319 0.520 1.000 0.800 CA 0.958 Z: 9 13.662 1.826 0.363 0.830 1.000 0.625 CB 1.459 9 residues pruned to eliminate duplicates Z: 10 14.795 1.670 0.881 0.796 0.889 0.556 CB 1.362 9 residues pruned to eliminate duplicates Z: 18 15.477 2.039 0.518 0.437 1.000 0.529 CA 1.294 18 residues pruned to eliminate duplicates Z: 21 26.083 2.122 0.532 0.834 1.000 0.900 CA 1.344 22 residues pruned to eliminate duplicates Z: 11 6.947 1.840 0.381 0.276 0.800 0.500 CB 1.394 6 residues pruned to eliminate duplicates Z: 21 19.605 2.069 0.230 0.580 1.000 0.600 CB 1.595 21 residues pruned to eliminate duplicates Z: 8 6.346 1.908 0.335 0.722 1.000 0.571 CB 0.771 6 residues pruned to eliminate duplicates Z: 11 14.191 2.051 0.661 0.427 0.900 0.500 CA 1.579 Z: 12 7.886 1.833 0.357 0.451 0.818 0.636 CA 1.228 12 residues pruned to eliminate duplicates Z: 8 11.580 2.116 0.122 0.861 1.000 0.857 CB 1.355 8 residues pruned to eliminate duplicates Z: 12 12.862 2.066 0.283 0.898 0.909 0.727 CA 1.151 12 residues pruned to eliminate duplicates Z: 13 16.226 1.980 0.168 0.846 1.000 0.833 CB 1.505 13 residues pruned to eliminate duplicates Z: 25 17.659 2.023 0.714 0.559 0.708 0.375 CB 1.386 44 residues pruned to eliminate duplicates Z: 6 6.650 1.755 0.771 0.590 1.000 0.800 CB 0.878 Z: 7 6.931 1.770 0.196 0.645 1.000 0.667 CA 1.168 7 residues pruned to eliminate duplicates Z: 19 11.387 1.944 0.503 0.364 0.833 0.333 CA 1.276 19 residues pruned to eliminate duplicates Z: 7 5.616 1.637 0.185 0.433 1.000 0.500 N 1.266 7 residues pruned to eliminate duplicates Z: 23 19.092 2.051 0.522 0.532 0.864 0.727 CA 1.462 11 residues pruned to eliminate duplicates Z: 9 5.453 1.625 0.680 0.351 0.875 0.375 C 0.949 9 residues pruned to eliminate duplicates Z: 7 9.910 1.717 0.591 0.568 1.000 0.500 C 1.387 6 residues pruned to eliminate duplicates Z: 11 5.175 1.719 0.351 0.286 0.800 0.300 CB 1.120 11 residues pruned to eliminate duplicates Z: 21 21.279 2.080 0.400 0.838 0.850 0.550 CB 1.437 21 residues pruned to eliminate duplicates Z: 21 26.984 1.987 0.494 0.856 0.950 0.800 CA 1.578 21 residues pruned to eliminate duplicates Z: 19 19.296 1.979 0.540 0.828 0.778 0.333 CB 1.445 19 residues pruned to eliminate duplicates Z: 10 11.113 1.682 0.878 0.735 0.889 0.333 CA 1.068 13 residues pruned to eliminate duplicates Z: 16 9.975 2.063 0.365 0.444 0.667 0.400 CB 1.453 16 residues pruned to eliminate duplicates Z: 20 27.588 2.025 0.422 0.888 0.947 0.789 CA 1.671 20 residues pruned to eliminate duplicates Z: 8 7.485 1.999 -0.079 0.707 1.000 0.714 N 1.272 8 residues pruned to eliminate duplicates Z: 9 11.829 1.939 0.332 0.503 1.000 0.625 N 1.614 8 residues pruned to eliminate duplicates Z: 7 2.347 1.442 0.492 0.338 0.667 0.500 CB 0.797 Z: 27 15.367 2.024 0.318 0.421 0.808 0.462 CB 1.518 20 residues pruned to eliminate duplicates Z: 11 11.984 2.116 0.252 0.522 0.900 0.500 CA 1.554 11 residues pruned to eliminate duplicates Z: 37 17.762 1.928 0.188 0.482 0.917 0.583 CB 1.435 36 residues pruned to eliminate duplicates Z: 10 14.031 1.806 0.344 0.865 1.000 0.889 CA 1.412 Z: 18 11.058 2.179 0.513 0.215 0.765 0.412 CA 1.488 18 residues pruned to eliminate duplicates Z: 11 17.194 2.013 1.019 0.818 0.900 0.400 CB 1.128 11 residues pruned to eliminate duplicates Z: 12 8.685 1.594 0.759 0.782 0.909 0.545 CA 0.802 11 residues pruned to eliminate duplicates Z: 19 8.078 1.804 0.171 0.312 0.889 0.389 CB 1.249 14 residues pruned to eliminate duplicates Z: 15 5.002 1.849 0.271 0.263 0.571 0.286 CB 1.305 15 residues pruned to eliminate duplicates Z: 14 19.310 2.048 0.536 0.901 1.000 0.923 CA 1.215 14 residues pruned to eliminate duplicates Z: 15 14.861 2.018 0.451 0.540 0.929 0.500 CA 1.405 15 residues pruned to eliminate duplicates Z: 18 11.019 1.907 0.385 0.316 0.824 0.294 CB 1.505 11 residues pruned to eliminate duplicates Z: 19 23.241 2.093 0.707 0.829 0.944 0.556 CA 1.222 19 residues pruned to eliminate duplicates Z: 17 20.638 1.905 0.544 0.872 0.938 0.750 CA 1.364 17 residues pruned to eliminate duplicates Z: 12 14.177 1.926 0.502 0.817 1.000 0.545 CA 1.122 12 residues pruned to eliminate duplicates Z: 22 12.412 2.049 0.347 0.350 0.810 0.571 CB 1.426 21 residues pruned to eliminate duplicates Z: 13 10.897 1.899 0.556 0.478 1.000 0.500 CB 1.088 10 residues pruned to eliminate duplicates Z: 7 8.839 1.830 0.391 0.680 1.000 0.667 CB 1.202 7 residues pruned to eliminate duplicates Z: 40 20.687 2.156 0.369 0.335 0.897 0.513 CA 1.498 40 residues pruned to eliminate duplicates Z: 9 9.208 2.059 0.249 0.761 1.000 0.625 CB 1.003 9 residues pruned to eliminate duplicates Z: 11 8.185 1.786 0.397 0.574 0.800 0.800 CA 1.207 10 residues pruned to eliminate duplicates Z: 12 7.326 1.858 0.147 0.326 0.909 0.364 C 1.380 12 residues pruned to eliminate duplicates Z: 11 5.310 1.878 0.059 0.248 0.700 0.500 C 1.613 11 residues pruned to eliminate duplicates Z: 19 26.933 1.953 0.622 0.868 1.000 0.722 CB 1.465 19 residues pruned to eliminate duplicates Z: 44 36.819 2.211 0.660 0.675 0.884 0.442 CB 1.474 44 residues pruned to eliminate duplicates Z: 6 6.706 1.953 0.160 0.651 0.800 0.800 C 1.438 6 residues pruned to eliminate duplicates Z: 21 36.712 2.273 0.577 0.904 0.950 0.400 CB 1.717 21 residues pruned to eliminate duplicates Z: 10 9.089 1.917 0.307 0.868 0.889 0.444 CB 0.994 10 residues pruned to eliminate duplicates Z: 12 6.494 1.782 0.031 0.608 0.909 0.636 CB 1.058 12 residues pruned to eliminate duplicates Z: 11 14.045 1.728 0.418 0.869 1.000 0.800 CA 1.324 11 residues pruned to eliminate duplicates Z: 15 16.735 1.865 0.508 0.828 0.857 0.786 CB 1.397 15 residues pruned to eliminate duplicates Z: 16 8.165 1.887 0.263 0.293 0.800 0.467 N 1.393 14 residues pruned to eliminate duplicates Z: 9 3.135 1.656 0.414 0.170 0.750 0.500 CB 0.942 Z: 22 14.824 2.018 0.284 0.466 0.857 0.619 CB 1.508 22 residues pruned to eliminate duplicates Z: 19 14.393 1.884 0.552 0.556 0.833 0.444 CA 1.318 19 residues pruned to eliminate duplicates Z: 21 8.139 1.981 0.416 0.401 0.750 0.400 CB 0.960 26 residues pruned to eliminate duplicates Z: 20 20.233 2.022 0.373 0.911 0.947 0.789 CB 1.251 20 residues pruned to eliminate duplicates Z: 17 18.688 2.053 0.751 0.888 0.875 0.750 CA 1.070 17 residues pruned to eliminate duplicates Z: 6 2.433 1.471 0.160 0.516 1.000 0.800 N 0.627 Z: 9 12.311 1.835 0.679 0.699 0.875 0.500 CA 1.347 9 residues pruned to eliminate duplicates Z: 15 10.188 1.888 0.193 0.453 0.929 0.500 CB 1.366 12 residues pruned to eliminate duplicates Z: 8 8.125 1.703 0.059 0.687 1.000 0.714 C 1.433 6 residues pruned to eliminate duplicates Z: 12 16.447 1.859 0.327 0.875 1.000 0.909 CA 1.462 12 residues pruned to eliminate duplicates Z: 23 13.121 2.039 0.371 0.399 0.909 0.591 CB 1.224 24 residues pruned to eliminate duplicates Z: 6 2.088 1.794 0.110 0.571 0.800 0.400 CB 0.547 Z: 23 11.456 1.819 0.387 0.436 0.773 0.455 CB 1.340 23 residues pruned to eliminate duplicates Z: 7 3.850 1.672 -0.172 0.552 0.833 0.833 CB 1.294 Z: 6 7.598 1.831 0.237 0.614 1.000 0.400 CB 1.347 6 residues pruned to eliminate duplicates Z: 6 2.058 1.271 0.650 0.572 0.800 0.600 CB 0.512 Z: 42 21.615 1.959 0.495 0.602 0.902 0.537 CA 1.159 42 residues pruned to eliminate duplicates Z: 6 4.273 1.461 0.213 0.681 1.000 0.800 N 0.913 Z: 12 10.665 2.165 0.143 0.770 0.818 0.364 CB 1.250 12 residues pruned to eliminate duplicates Z: 10 14.673 1.980 1.080 0.783 0.778 0.556 CA 1.190 10 residues pruned to eliminate duplicates Z: 12 9.459 1.841 0.168 0.503 0.909 0.545 CB 1.455 12 residues pruned to eliminate duplicates Z: 17 21.328 1.916 0.362 0.868 0.938 0.750 CA 1.594 17 residues pruned to eliminate duplicates Z: 11 8.016 1.428 0.670 0.814 0.800 0.600 CA 1.012 11 residues pruned to eliminate duplicates Z: 6 3.161 1.380 0.522 0.800 1.000 0.600 CB 0.517 Z: 18 12.272 2.045 0.296 0.336 0.882 0.235 CB 1.523 16 residues pruned to eliminate duplicates Z: 14 6.946 1.510 0.377 0.274 0.923 0.538 N 1.296 10 residues pruned to eliminate duplicates Z: 10 8.058 1.566 0.549 0.599 0.889 0.556 CB 1.133 Z: 8 4.305 1.621 0.291 0.246 0.714 0.286 C 1.460 8 residues pruned to eliminate duplicates Z: 6 7.950 1.718 0.356 0.628 1.000 0.800 CA 1.353 6 residues pruned to eliminate duplicates Z: 11 9.440 1.868 0.368 0.499 0.900 0.600 CB 1.299 11 residues pruned to eliminate duplicates Z: 6 2.963 1.607 0.079 0.305 1.000 0.800 CB 0.949 Z: 24 11.637 1.824 0.511 0.317 0.913 0.348 CA 1.181 24 residues pruned to eliminate duplicates Z: 26 10.264 1.821 0.370 0.327 0.720 0.280 CA 1.382 26 residues pruned to eliminate duplicates Z: 15 11.948 1.884 0.350 0.467 0.857 0.500 CB 1.514 15 residues pruned to eliminate duplicates Z: 9 2.587 1.350 0.458 0.325 0.625 0.375 C 0.902 Z: 9 13.498 2.049 0.141 0.723 1.000 0.750 CB 1.669 9 residues pruned to eliminate duplicates Z: 28 12.420 1.854 0.256 0.411 0.815 0.407 CB 1.384 28 residues pruned to eliminate duplicates Z: 19 9.672 1.956 0.143 0.385 0.889 0.444 CB 1.295 19 residues pruned to eliminate duplicates Z: 27 13.925 2.039 0.564 0.348 0.731 0.500 CB 1.382 27 residues pruned to eliminate duplicates 6 0.884 1.755 -0.090 0.455 0.400 0.400 CB 0.648 ? Z: 6 3.478 1.790 0.040 0.347 0.800 0.800 O 1.233 6 residues pruned to eliminate duplicates Z: 12 5.034 1.529 0.208 0.376 0.909 0.545 N 1.032 12 residues pruned to eliminate duplicates Z: 8 3.664 1.707 0.010 0.378 0.714 0.429 CB 1.281 Z: 9 9.988 2.056 0.272 0.650 0.875 0.625 CA 1.343 9 residues pruned to eliminate duplicates Z: 13 7.439 1.779 0.299 0.297 1.000 0.250 CB 1.166 12 residues pruned to eliminate duplicates Z: 11 6.939 1.660 0.106 0.824 1.000 0.600 CB 0.902 11 residues pruned to eliminate duplicates Z: 6 3.239 1.360 0.397 0.338 1.000 0.600 CB 0.910 Z: 11 10.691 2.036 0.270 0.539 0.900 0.800 CA 1.398 13 residues pruned to eliminate duplicates Z: 19 7.144 1.934 0.347 0.330 0.611 0.500 CB 1.275 19 residues pruned to eliminate duplicates Z: 27 13.028 1.831 0.262 0.473 0.846 0.538 CB 1.342 27 residues pruned to eliminate duplicates Z: 8 3.927 1.662 0.372 0.321 0.857 0.143 CB 0.926 5 residues pruned to eliminate duplicates Z: 7 6.539 1.759 0.754 0.877 1.000 0.667 CA 0.628 7 residues pruned to eliminate duplicates Z: 28 12.583 1.928 0.275 0.415 0.815 0.444 CB 1.321 28 residues pruned to eliminate duplicates Z: 11 4.150 1.742 0.016 0.340 0.800 0.300 CB 1.102 11 residues pruned to eliminate duplicates Z: 8 3.370 1.498 0.110 0.258 1.000 0.429 N 1.009 8 residues pruned to eliminate duplicates Z: 28 13.714 2.190 0.205 0.301 0.852 0.370 CA 1.465 28 residues pruned to eliminate duplicates Z: 14 5.837 1.839 0.208 0.304 0.769 0.538 CB 1.179 14 residues pruned to eliminate duplicates Z: 22 19.189 2.158 0.235 0.572 0.952 0.667 CB 1.538 22 residues pruned to eliminate duplicates Z: 9 3.956 1.658 0.250 0.245 0.875 0.625 CB 1.035 7 1.847 1.560 0.227 0.321 0.667 0.167 CB 0.719 ? Z: 22 34.530 2.008 0.605 0.915 1.000 0.810 CA 1.652 22 residues pruned to eliminate duplicates Z: 22 24.390 2.051 0.536 0.818 1.000 0.714 CB 1.282 22 residues pruned to eliminate duplicates Z: 10 13.550 1.971 0.534 0.882 0.889 0.778 CA 1.217 22 residues pruned to eliminate duplicates Z: 6 5.429 1.884 0.005 0.664 0.800 0.600 N 1.376 6 residues pruned to eliminate duplicates Z: 6 3.493 1.595 0.171 0.267 1.000 0.600 C 1.091 Z: 36 15.335 2.073 0.186 0.396 0.829 0.371 CB 1.419 36 residues pruned to eliminate duplicates Z: 6 4.879 1.391 0.223 0.801 0.800 0.600 N 1.232 6 residues pruned to eliminate duplicates Z: 10 4.795 1.673 0.417 0.626 0.667 0.556 CB 0.898 10 residues pruned to eliminate duplicates Z: 7 3.469 1.586 0.320 0.346 0.667 0.500 CB 1.199 Z: 7 4.032 1.657 -0.024 0.405 0.833 0.500 CB 1.349 Z: 7 7.104 1.923 0.315 0.542 0.833 0.500 C 1.321 7 residues pruned to eliminate duplicates Z: 18 13.947 1.940 0.382 0.633 0.882 0.471 CA 1.262 19 residues pruned to eliminate duplicates Z: 6 5.506 1.510 0.828 0.561 0.800 0.800 C 1.051 Z: 15 6.270 1.843 0.202 0.377 0.643 0.571 CA 1.341 11 residues pruned to eliminate duplicates Z: 8 13.402 2.039 0.602 0.562 0.857 0.571 CA 1.704 8 residues pruned to eliminate duplicates Z: 10 14.910 2.095 0.337 0.842 1.000 0.667 CB 1.322 10 residues pruned to eliminate duplicates Z: 10 14.923 1.989 0.868 0.765 1.000 0.778 CB 1.058 10 residues pruned to eliminate duplicates Z: 27 21.098 2.018 0.278 0.689 0.923 0.808 CA 1.462 27 residues pruned to eliminate duplicates Z: 10 7.595 1.940 0.235 0.410 0.889 0.444 CA 1.307 Z: 6 3.236 2.017 0.281 0.278 0.600 0.400 CB 1.200 6 residues pruned to eliminate duplicates Z: 40 32.083 2.188 0.456 0.668 0.974 0.487 CB 1.417 40 residues pruned to eliminate duplicates Z: 18 9.207 1.980 0.236 0.433 0.765 0.529 CB 1.278 18 residues pruned to eliminate duplicates Z: 6 4.513 1.627 0.702 0.348 0.800 0.600 CA 1.074 4 residues pruned to eliminate duplicates Z: 20 10.954 1.969 0.455 0.269 0.842 0.263 CA 1.354 20 residues pruned to eliminate duplicates Z: 8 4.132 1.530 0.169 0.586 1.000 0.571 CB 0.805 Z: 9 4.414 1.759 0.316 0.258 0.750 0.375 CB 1.186 9 residues pruned to eliminate duplicates Z: 7 2.272 1.476 0.134 0.294 0.833 0.333 N 0.838 Z: 7 4.360 1.578 0.385 0.336 0.833 0.667 N 1.169 7 residues pruned to eliminate duplicates Z: 52 22.213 2.056 0.363 0.380 0.824 0.490 CB 1.532 52 residues pruned to eliminate duplicates Z: 6 2.299 1.715 0.317 0.443 0.400 0.400 N 1.208 6 residues pruned to eliminate duplicates Z: 12 13.654 1.860 0.471 0.662 0.909 0.273 CA 1.425 10 residues pruned to eliminate duplicates Z: 8 7.213 1.798 0.581 0.526 0.857 0.714 CB 1.091 Z: 8 9.112 1.775 0.296 0.547 1.000 0.571 CA 1.430 8 residues pruned to eliminate duplicates Z: 7 2.694 1.262 0.281 0.482 0.833 0.500 CA 0.831 Z: 16 12.741 1.883 0.390 0.532 1.000 0.667 CB 1.217 16 residues pruned to eliminate duplicates Z: 19 22.752 2.026 0.649 0.926 1.000 0.778 CB 1.126 21 residues pruned to eliminate duplicates Z: 6 4.949 1.678 0.412 0.653 0.800 0.800 CB 1.013 11 residues pruned to eliminate duplicates Z: 9 4.420 1.518 0.555 0.332 0.750 0.500 CB 1.061 Z: 9 3.722 1.699 -0.256 0.402 0.875 0.500 C 1.319 9 residues pruned to eliminate duplicates Z: 45 36.449 2.142 0.402 0.710 0.977 0.682 CB 1.547 45 residues pruned to eliminate duplicates Z: 7 4.095 1.581 0.508 0.800 0.833 0.667 CB 0.647 7 residues pruned to eliminate duplicates Z: 22 22.765 1.995 0.170 0.891 1.000 0.857 CA 1.529 22 residues pruned to eliminate duplicates Z: 6 2.371 1.566 -0.146 0.397 0.800 0.600 CB 1.105 5 residues pruned to eliminate duplicates Z: 6 6.890 1.757 0.419 0.768 1.000 0.800 CA 0.975 Z: 17 8.716 1.848 0.098 0.351 0.938 0.438 CB 1.346 17 residues pruned to eliminate duplicates Z: 22 19.518 1.870 0.423 0.885 0.952 0.857 CA 1.213 22 residues pruned to eliminate duplicates Z: 18 26.927 2.088 0.523 0.914 1.000 0.706 CB 1.452 18 residues pruned to eliminate duplicates Z: 10 5.020 1.559 0.069 0.438 0.889 0.333 CB 1.203 Z: 7 5.733 2.104 -0.009 0.726 0.667 0.500 CB 1.373 7 residues pruned to eliminate duplicates Z: 6 2.300 1.351 0.617 0.438 0.800 0.800 CB 0.628 Z: 12 16.397 2.121 0.256 0.830 1.000 0.727 CA 1.395 12 residues pruned to eliminate duplicates Z: 17 12.952 1.929 0.624 0.508 0.938 0.750 CB 1.094 23 residues pruned to eliminate duplicates Z: 6 4.236 1.533 0.211 0.400 1.000 0.400 N 1.134 Z: 11 5.934 1.769 0.287 0.389 0.800 0.600 N 1.159 11 residues pruned to eliminate duplicates Z: 30 32.489 2.145 0.638 0.713 0.966 0.517 CB 1.466 30 residues pruned to eliminate duplicates Z: 6 15.700 1.991 0.624 0.752 1.000 0.600 CA 1.735 6 residues pruned to eliminate duplicates Z: 22 30.665 1.982 0.498 0.895 1.000 0.714 CB 1.615 22 residues pruned to eliminate duplicates Z: 8 5.931 1.808 0.354 0.539 0.857 0.286 CA 1.029 8 residues pruned to eliminate duplicates Z: 8 3.367 1.518 0.210 0.432 0.857 0.714 CB 0.867 Z: 9 5.296 1.600 0.313 0.417 0.875 0.625 CA 1.111 9 residues pruned to eliminate duplicates Z: 7 5.773 1.975 -0.323 0.472 1.000 0.667 CA 1.813 7 residues pruned to eliminate duplicates Z: 35 17.263 1.993 0.242 0.449 0.941 0.559 CB 1.339 32 residues pruned to eliminate duplicates Z: 24 10.322 1.928 0.281 0.400 0.870 0.565 CA 1.113 24 residues pruned to eliminate duplicates Z: 8 3.351 1.831 -0.027 0.405 0.857 0.429 CA 0.916 8 residues pruned to eliminate duplicates Z: 6 4.098 1.563 0.286 0.428 1.000 0.400 O 0.983 6 residues pruned to eliminate duplicates Z: 6 2.525 1.127 0.660 0.521 0.800 0.600 C 0.739 Z: 9 7.750 1.625 0.475 0.498 0.875 0.500 CA 1.310 9 residues pruned to eliminate duplicates Z: 9 3.577 1.509 0.087 0.359 1.000 0.625 CB 0.898 Z: 8 6.961 1.987 0.326 0.703 0.857 0.286 CA 0.969 8 residues pruned to eliminate duplicates Z: 19 22.651 2.030 0.682 0.898 1.000 0.833 CA 1.118 19 residues pruned to eliminate duplicates Z: 12 10.266 1.854 0.555 0.514 0.818 0.545 CA 1.294 12 residues pruned to eliminate duplicates Z: 11 2.551 1.382 0.430 0.193 0.600 0.300 CB 0.981 Z: 12 6.593 1.692 0.141 0.492 0.818 0.545 CA 1.268 12 residues pruned to eliminate duplicates Z: 6 3.968 1.493 0.370 0.496 0.800 0.600 N 1.089 Z: 8 2.766 1.314 0.537 0.322 0.714 0.429 CB 0.882 8 1.657 1.316 0.256 0.177 0.714 0.286 CB 0.783 ? Z: 9 11.720 2.045 0.221 0.793 1.000 0.875 CA 1.284 9 residues pruned to eliminate duplicates Z: 11 9.203 1.904 0.384 0.438 1.000 0.700 CB 1.178 11 residues pruned to eliminate duplicates Z: 7 7.376 2.009 0.480 0.495 1.000 0.667 CB 1.018 7 residues pruned to eliminate duplicates Z: 13 8.048 1.896 -0.005 0.528 0.917 0.833 CB 1.308 13 residues pruned to eliminate duplicates Z: 7 3.886 1.498 0.400 0.240 0.833 0.500 CB 1.227 Z: 15 8.258 1.968 0.056 0.392 0.929 0.571 CB 1.281 15 residues pruned to eliminate duplicates Z: 7 6.921 1.669 0.173 0.672 1.000 0.667 CB 1.232 Z: 6 2.237 1.506 0.445 0.781 0.600 0.600 CB 0.598 Z: 8 9.229 1.649 1.008 0.787 1.000 0.429 CB 0.819 8 residues pruned to eliminate duplicates Z: 36 18.317 2.083 0.227 0.387 0.943 0.429 CA 1.449 36 residues pruned to eliminate duplicates Z: 67 29.716 1.994 0.333 0.528 0.970 0.606 CA 1.381 68 residues pruned to eliminate duplicates Z: 11 8.676 1.727 0.250 0.559 0.900 0.700 CA 1.335 11 residues pruned to eliminate duplicates 6 1.131 1.605 0.225 0.296 0.800 0.600 CB 0.404 ? Z: 17 5.319 1.671 0.211 0.367 0.688 0.312 CA 1.102 17 residues pruned to eliminate duplicates Z: 11 3.925 1.457 0.457 0.356 0.700 0.600 CB 0.976 Z: 7 2.708 1.248 0.509 0.328 0.833 0.500 N 0.851 Z: 17 11.113 1.837 0.632 0.532 0.750 0.438 CB 1.198 14 residues pruned to eliminate duplicates Z: 33 23.467 2.064 0.533 0.664 0.906 0.438 CA 1.243 33 residues pruned to eliminate duplicates Z: 9 7.607 1.958 -0.069 0.830 1.000 0.750 CB 1.109 9 residues pruned to eliminate duplicates Z: 22 31.412 2.058 0.456 0.905 1.000 0.810 CA 1.628 22 residues pruned to eliminate duplicates Z: 16 5.581 1.634 0.480 0.375 0.933 0.533 CB 0.730 16 residues pruned to eliminate duplicates Z: 16 22.831 2.227 0.723 0.681 0.800 0.333 CB 1.626 16 residues pruned to eliminate duplicates Z: 7 2.030 1.509 0.678 0.308 0.500 0.333 CB 0.810 Z: 9 9.750 1.881 0.380 0.487 0.875 0.625 C 1.537 10 residues pruned to eliminate duplicates Z: 50 21.686 2.129 0.418 0.348 0.816 0.490 CA 1.483 50 residues pruned to eliminate duplicates Z: 10 2.405 1.429 0.108 0.251 0.667 0.444 CB 1.012 6 1.034 1.215 0.097 0.100 0.800 0.200 CB 0.723 ? Z: 6 3.976 1.541 0.267 0.533 0.800 0.600 N 1.102 6 residues pruned to eliminate duplicates 6 1.699 1.806 -0.026 0.296 0.600 0.400 N 0.905 ? Z: 8 4.243 1.802 -0.019 0.506 0.714 0.571 CB 1.263 8 residues pruned to eliminate duplicates Z: 7 4.491 1.229 0.684 0.560 1.000 0.667 CB 0.836 Z: 10 6.587 1.631 0.227 0.580 0.778 0.444 CA 1.306 Z: 46 33.960 2.158 0.348 0.662 0.956 0.467 CB 1.567 46 residues pruned to eliminate duplicates Z: 6 3.524 1.555 0.668 0.300 0.800 0.600 N 0.950 Z: 15 15.481 2.018 0.644 0.539 1.000 0.643 CA 1.199 16 residues pruned to eliminate duplicates Z: 20 26.988 2.049 0.331 0.910 1.000 0.684 CB 1.610 20 residues pruned to eliminate duplicates Z: 20 16.617 2.043 0.505 0.595 0.947 0.579 CA 1.195 20 residues pruned to eliminate duplicates Z: 31 12.829 1.964 0.368 0.324 0.800 0.467 CB 1.322 31 residues pruned to eliminate duplicates Z: 25 15.278 1.946 0.505 0.280 0.917 0.292 CA 1.490 25 residues pruned to eliminate duplicates Z: 8 5.009 1.617 0.445 0.470 0.714 0.429 CA 1.169 8 residues pruned to eliminate duplicates Z: 19 22.445 2.045 0.702 0.890 0.944 0.722 CA 1.158 19 residues pruned to eliminate duplicates Z: 8 14.593 2.088 0.580 0.595 0.857 0.714 N 1.782 9 residues pruned to eliminate duplicates Z: 8 2.559 1.397 0.719 0.241 0.857 0.429 CB 0.634 6 residues pruned to eliminate duplicates Z: 14 12.689 2.039 0.449 0.534 1.000 0.692 CB 1.151 14 residues pruned to eliminate duplicates Z: 22 16.501 1.958 0.393 0.572 0.952 0.857 CB 1.293 22 residues pruned to eliminate duplicates Z: 8 3.859 1.552 0.241 0.338 0.857 0.429 CA 1.056 Z: 6 5.203 1.434 0.285 0.743 1.000 0.600 C 1.016 Z: 19 11.792 1.921 0.423 0.377 0.833 0.611 CA 1.390 15 residues pruned to eliminate duplicates 6 0.980 1.200 -0.161 0.283 1.000 0.800 CB 0.556 ? Z: 25 13.445 2.004 0.422 0.372 0.792 0.458 CA 1.394 25 residues pruned to eliminate duplicates Z: 13 5.497 1.552 0.036 0.491 0.833 0.500 CB 1.195 13 residues pruned to eliminate duplicates Z: 30 16.058 2.168 0.371 0.316 0.828 0.414 CA 1.486 30 residues pruned to eliminate duplicates 6 1.065 1.169 0.349 0.308 0.600 0.400 C 0.623 ? Z: 8 2.223 1.104 0.680 0.556 0.857 0.429 CB 0.501 Z: 26 22.470 1.958 0.371 0.699 0.960 0.760 CA 1.454 26 residues pruned to eliminate duplicates Z: 8 3.202 1.582 0.378 0.292 0.571 0.571 CA 1.226 Z: 8 10.167 1.799 0.207 0.816 1.000 0.714 CA 1.345 8 residues pruned to eliminate duplicates Z: 7 2.663 1.476 -0.034 0.401 0.833 0.500 N 1.016 Z: 6 3.194 1.555 0.497 0.171 0.800 0.400 CB 1.142 Z: 17 11.513 1.874 0.507 0.471 1.000 0.688 CB 1.050 17 residues pruned to eliminate duplicates Z: 10 7.257 1.784 0.436 0.451 0.889 0.667 CB 1.117 10 residues pruned to eliminate duplicates Z: 7 2.948 1.401 0.548 0.453 0.667 0.333 O 0.874 6 1.467 1.328 0.268 0.287 0.800 0.600 CB 0.619 ? Z: 6 2.016 1.432 0.258 0.112 1.000 0.400 CB 0.818 Z: 46 19.232 2.045 0.283 0.407 0.844 0.400 CB 1.426 46 residues pruned to eliminate duplicates Z: 33 18.197 1.901 0.286 0.552 0.906 0.656 CA 1.380 33 residues pruned to eliminate duplicates Z: 9 8.497 1.768 0.855 0.469 0.875 0.625 CB 1.081 6 1.514 1.423 -0.021 0.300 0.600 0.600 N 1.014 ? 6 1.196 1.282 -0.011 0.437 0.800 0.800 N 0.563 ? Z: 8 4.257 1.552 0.510 0.573 0.714 0.571 CB 0.896 8 residues pruned to eliminate duplicates Z: 6 2.503 1.564 0.198 0.870 0.800 0.800 CB 0.545 6 residues pruned to eliminate duplicates Z: 29 19.986 2.019 0.401 0.651 0.893 0.679 CB 1.300 29 residues pruned to eliminate duplicates Z: 18 15.840 2.050 0.434 0.863 0.882 0.647 CB 1.087 18 residues pruned to eliminate duplicates 6 1.703 1.526 0.184 0.296 0.800 0.400 CB 0.662 ? Z: 6 3.323 1.218 0.192 0.456 1.000 0.600 CB 1.071 Z: 8 4.700 1.746 0.280 0.332 0.857 0.571 C 1.116 8 residues pruned to eliminate duplicates Z: 10 9.201 1.858 0.277 0.419 0.889 0.556 CB 1.582 10 residues pruned to eliminate duplicates Z: 8 4.354 1.431 0.334 0.342 1.000 0.429 N 1.024 Z: 14 12.134 2.022 0.296 0.565 0.846 0.538 CA 1.425 14 residues pruned to eliminate duplicates Z: 10 6.681 1.821 0.260 0.417 0.778 0.667 CB 1.361 Z: 8 2.660 1.558 -0.005 0.310 0.714 0.143 CB 1.120 8 residues pruned to eliminate duplicates Z: 14 16.698 2.083 0.675 0.763 1.000 0.846 CA 1.051 14 residues pruned to eliminate duplicates Z: 10 6.856 1.755 0.280 0.437 0.778 0.556 N 1.396 10 residues pruned to eliminate duplicates Z: 6 2.817 1.314 0.247 0.372 1.000 0.600 O 0.881 Z: 18 9.743 2.078 0.370 0.270 0.765 0.412 CB 1.410 28 residues pruned to eliminate duplicates Z: 22 21.076 1.890 0.672 0.889 1.000 0.714 CB 1.048 22 residues pruned to eliminate duplicates 7 0.988 1.568 -0.422 0.083 0.667 0.167 CB 1.146 ? 6 1.568 1.436 -0.135 0.258 0.800 0.400 CA 0.931 ? Z: 10 2.958 1.786 -0.171 0.185 0.667 0.333 C 1.458 10 residues pruned to eliminate duplicates Z: 18 15.121 1.950 0.251 0.531 1.000 0.824 CA 1.458 18 residues pruned to eliminate duplicates Z: 9 7.651 1.385 1.133 0.438 0.875 0.500 CA 1.116 Z: 11 7.377 1.783 0.111 0.678 1.000 0.700 CA 0.999 11 residues pruned to eliminate duplicates 6 0.219 1.450 0.363 0.502 0.600 0.600 CB 0.082 ? Z: 7 3.306 1.179 0.419 0.562 0.833 0.667 CA 0.911 Z: 6 2.125 1.082 0.824 0.487 1.000 0.800 CB 0.488 Using tripeptides from previous cycle as seeds Z: 14 6.278 1.791 0.291 0.363 0.846 0.385 CB 1.031 6 residues pruned to eliminate duplicates Z: 6 4.262 1.457 0.936 0.430 1.000 0.600 CA 0.727 6 residues pruned to eliminate duplicates Z: 9 9.581 1.870 0.589 0.536 0.875 0.875 CB 1.258 10 residues pruned to eliminate duplicates Z: 6 3.302 1.677 0.620 0.372 1.000 0.400 CA 0.623 6 residues pruned to eliminate duplicates Z: 19 17.149 1.933 0.433 0.666 0.889 0.556 CB 1.408 19 residues pruned to eliminate duplicates Z: 22 18.611 1.871 0.484 0.598 0.952 0.429 CB 1.398 22 residues pruned to eliminate duplicates Z: 7 5.075 1.648 0.242 0.846 0.667 0.500 CB 1.127 7 residues pruned to eliminate duplicates Z: 19 16.373 1.907 0.667 0.635 0.889 0.556 CB 1.202 19 residues pruned to eliminate duplicates Z: 10 10.750 1.774 0.429 0.754 0.889 0.556 CA 1.267 10 residues pruned to eliminate duplicates Z: 10 11.624 1.879 0.294 0.791 0.889 0.444 CA 1.389 10 residues pruned to eliminate duplicates Z: 14 9.059 1.758 0.251 0.600 0.846 0.462 CA 1.228 14 residues pruned to eliminate duplicates Z: 11 9.882 1.934 0.168 0.628 1.000 0.500 CB 1.227 11 residues pruned to eliminate duplicates Z: 10 5.899 1.494 0.414 0.597 0.889 0.333 N 0.954 10 residues pruned to eliminate duplicates Z: 13 15.969 1.889 0.436 0.675 1.000 0.500 CB 1.447 13 residues pruned to eliminate duplicates Z: 9 10.107 1.837 0.364 0.736 0.875 0.500 CA 1.318 9 residues pruned to eliminate duplicates Z: 15 10.075 1.785 0.413 0.500 0.857 0.714 CB 1.245 15 residues pruned to eliminate duplicates Z: 13 9.557 1.867 0.327 0.439 1.000 0.667 CB 1.186 13 residues pruned to eliminate duplicates Z: 14 8.511 1.913 0.224 0.422 0.846 0.615 CB 1.292 14 residues pruned to eliminate duplicates Z: 14 7.677 1.869 0.219 0.443 0.769 0.615 CB 1.289 14 residues pruned to eliminate duplicates Z: 12 8.370 1.826 0.241 0.337 0.909 0.455 C 1.463 13 residues pruned to eliminate duplicates Z: 9 7.056 1.874 0.282 0.393 0.750 0.375 N 1.550 9 residues pruned to eliminate duplicates Z: 10 8.737 1.841 0.463 0.455 0.778 0.444 N 1.455 10 residues pruned to eliminate duplicates Z: 10 5.111 1.784 0.238 0.342 0.667 0.333 CB 1.374 10 residues pruned to eliminate duplicates Z: 10 11.115 1.960 0.450 0.386 0.889 0.556 C 1.656 9 residues pruned to eliminate duplicates Z: 9 5.171 1.779 0.484 0.279 0.750 0.250 CB 1.185 9 residues pruned to eliminate duplicates Z: 8 4.543 1.561 0.492 0.196 1.000 0.143 N 1.058 6 residues pruned to eliminate duplicates Z: 6 4.260 1.374 0.318 0.472 1.000 0.600 O 1.083 6 residues pruned to eliminate duplicates Z: 9 9.974 1.814 0.626 0.373 1.000 0.500 CB 1.370 9 residues pruned to eliminate duplicates Z: 7 3.464 1.585 0.714 0.393 0.833 0.500 CA 0.700 7 residues pruned to eliminate duplicates Z: 17 13.436 1.895 0.450 0.468 0.875 0.562 CB 1.442 18 residues pruned to eliminate duplicates Z: 7 3.631 1.438 0.392 0.293 0.833 0.667 C 1.121 7 residues pruned to eliminate duplicates Z: 12 13.244 2.097 0.264 0.527 0.909 0.727 CB 1.614 12 residues pruned to eliminate duplicates Z: 12 10.173 2.030 0.448 0.439 0.727 0.455 CB 1.528 12 residues pruned to eliminate duplicates Z: 10 19.395 2.162 0.469 0.643 1.000 0.889 CA 1.781 17 residues pruned to eliminate duplicates Z: 8 5.596 1.608 0.406 0.386 0.857 0.714 CA 1.232 8 residues pruned to eliminate duplicates Z: 11 14.261 1.959 0.530 0.551 0.900 0.600 CA 1.591 11 residues pruned to eliminate duplicates Z: 6 9.675 1.802 0.256 0.780 1.000 0.600 CA 1.493 6 residues pruned to eliminate duplicates Z: 10 13.804 2.105 0.402 0.553 0.889 0.444 CA 1.666 10 residues pruned to eliminate duplicates Z: 11 13.293 1.872 0.730 0.479 0.900 0.500 CA 1.473 11 residues pruned to eliminate duplicates Z: 9 6.855 1.672 0.268 0.632 1.000 0.250 CA 1.010 Z: 8 11.055 1.947 0.690 0.648 0.857 0.286 CA 1.290 36 residues pruned to eliminate duplicates Z: 10 8.233 1.649 0.371 0.716 0.889 0.333 CA 1.123 9 residues pruned to eliminate duplicates Z: 8 6.376 1.850 0.263 0.705 1.000 0.286 CA 0.856 9 residues pruned to eliminate duplicates Z: 9 8.124 2.036 0.091 0.532 1.000 0.625 CA 1.253 9 residues pruned to eliminate duplicates Z: 11 9.226 1.846 0.271 0.613 1.000 0.600 CA 1.117 11 residues pruned to eliminate duplicates Z: 10 6.428 1.963 0.125 0.386 0.778 0.444 CA 1.408 10 residues pruned to eliminate duplicates Z: 12 11.250 1.996 0.194 0.584 1.000 0.455 CA 1.313 12 residues pruned to eliminate duplicates Z: 21 11.787 1.876 0.281 0.402 0.950 0.500 CB 1.280 21 residues pruned to eliminate duplicates Z: 22 11.866 1.938 0.264 0.336 0.857 0.333 CB 1.475 22 residues pruned to eliminate duplicates Z: 6 4.497 2.024 0.135 0.328 1.000 0.400 CB 1.057 6 residues pruned to eliminate duplicates Z: 13 5.281 1.584 0.592 0.337 0.833 0.417 CB 0.866 13 residues pruned to eliminate duplicates Z: 6 2.597 1.846 0.559 0.240 0.600 0.600 CB 0.909 6 residues pruned to eliminate duplicates Z: 10 6.150 1.768 0.309 0.424 0.889 0.444 CB 1.078 10 residues pruned to eliminate duplicates Z: 10 7.238 1.689 0.498 0.425 1.000 0.444 CB 1.031 10 residues pruned to eliminate duplicates Z: 10 5.733 1.721 0.382 0.616 0.889 0.444 CB 0.810 10 residues pruned to eliminate duplicates Z: 10 4.735 1.722 0.611 0.390 0.667 0.333 CB 0.959 10 residues pruned to eliminate duplicates Z: 18 5.776 1.762 0.209 0.247 0.882 0.412 CB 0.998 20 residues pruned to eliminate duplicates Z: 6 5.518 1.912 0.447 0.462 0.800 0.600 CB 1.159 6 residues pruned to eliminate duplicates Z: 28 17.128 2.043 0.347 0.472 0.926 0.667 CA 1.332 30 residues pruned to eliminate duplicates Z: 8 6.286 1.625 0.558 0.432 0.857 0.429 CA 1.174 8 residues pruned to eliminate duplicates Z: 34 20.579 1.961 0.516 0.585 0.939 0.727 CA 1.182 34 residues pruned to eliminate duplicates Z: 32 28.130 2.076 0.579 0.582 1.000 0.677 CA 1.424 32 residues pruned to eliminate duplicates Z: 7 8.173 1.887 0.307 0.504 1.000 0.667 CA 1.346 7 residues pruned to eliminate duplicates Z: 21 16.531 2.090 0.472 0.429 0.950 0.600 CB 1.361 21 residues pruned to eliminate duplicates Z: 25 22.844 2.110 0.550 0.662 0.958 0.833 CA 1.280 25 residues pruned to eliminate duplicates Z: 22 12.777 1.976 0.396 0.431 0.905 0.571 CB 1.200 22 residues pruned to eliminate duplicates Z: 24 21.949 2.139 0.444 0.759 1.000 0.826 CA 1.177 24 residues pruned to eliminate duplicates Z: 25 22.434 2.135 0.522 0.712 0.958 0.792 CA 1.213 25 residues pruned to eliminate duplicates Z: 31 25.549 2.113 0.487 0.653 1.000 0.733 CA 1.287 31 residues pruned to eliminate duplicates Z: 25 23.624 2.147 0.497 0.696 1.000 0.792 CA 1.254 25 residues pruned to eliminate duplicates Z: 15 22.979 2.143 0.811 0.820 1.000 0.786 CA 1.199 15 residues pruned to eliminate duplicates Z: 33 22.481 2.043 0.455 0.606 0.938 0.719 CA 1.290 33 residues pruned to eliminate duplicates Z: 57 32.935 2.047 0.552 0.575 0.964 0.536 CA 1.336 57 residues pruned to eliminate duplicates Z: 14 24.432 2.129 0.848 0.882 0.923 0.769 CA 1.350 14 residues pruned to eliminate duplicates Z: 40 27.400 2.080 0.439 0.643 0.949 0.564 CA 1.352 40 residues pruned to eliminate duplicates Z: 14 21.402 2.133 0.695 0.759 1.000 0.538 CA 1.303 14 residues pruned to eliminate duplicates Z: 17 17.290 1.935 0.912 0.551 0.938 0.438 CA 1.185 17 residues pruned to eliminate duplicates Z: 48 30.202 2.060 0.560 0.543 0.957 0.511 CA 1.372 48 residues pruned to eliminate duplicates Z: 18 22.708 2.030 0.839 0.841 0.941 0.706 CA 1.169 18 residues pruned to eliminate duplicates Z: 15 27.631 2.104 1.017 0.924 0.929 0.500 CB 1.316 15 residues pruned to eliminate duplicates Z: 37 27.821 2.099 0.495 0.678 0.944 0.278 CA 1.328 37 residues pruned to eliminate duplicates Z: 45 25.390 2.013 0.522 0.561 0.886 0.455 CA 1.329 45 residues pruned to eliminate duplicates Z: 50 32.422 2.021 0.686 0.587 0.959 0.551 CA 1.304 50 residues pruned to eliminate duplicates Z: 20 26.976 1.920 1.043 0.905 1.000 0.737 CA 1.123 20 residues pruned to eliminate duplicates Z: 58 26.717 2.041 0.395 0.532 0.912 0.439 CA 1.321 58 residues pruned to eliminate duplicates Z: 21 29.509 2.085 1.069 0.785 0.950 0.250 CA 1.252 21 residues pruned to eliminate duplicates Z: 34 24.705 2.053 0.569 0.630 0.909 0.424 CA 1.300 34 residues pruned to eliminate duplicates Z: 39 26.612 2.097 0.522 0.630 0.895 0.474 CA 1.338 39 residues pruned to eliminate duplicates Z: 40 21.501 2.059 0.394 0.611 0.872 0.436 CA 1.239 40 residues pruned to eliminate duplicates Z: 33 19.774 2.095 0.453 0.574 0.844 0.312 CA 1.267 33 residues pruned to eliminate duplicates Z: 46 28.396 2.070 0.608 0.559 0.867 0.444 CA 1.385 46 residues pruned to eliminate duplicates Z: 37 26.575 2.105 0.538 0.631 0.917 0.361 CA 1.320 37 residues pruned to eliminate duplicates Z: 19 12.905 2.096 0.208 0.528 0.833 0.389 CA 1.402 19 residues pruned to eliminate duplicates Z: 19 13.496 2.111 0.242 0.525 0.833 0.389 CB 1.421 19 residues pruned to eliminate duplicates Z: 19 12.321 2.025 0.276 0.537 0.833 0.444 CA 1.301 19 residues pruned to eliminate duplicates Z: 27 13.575 2.022 0.204 0.399 0.846 0.385 CA 1.437 27 residues pruned to eliminate duplicates Z: 19 12.591 2.043 0.238 0.545 0.833 0.389 CB 1.347 19 residues pruned to eliminate duplicates Z: 17 12.136 2.079 0.260 0.528 0.875 0.375 CA 1.287 17 residues pruned to eliminate duplicates Z: 38 28.619 2.067 0.623 0.700 0.892 0.541 CA 1.311 38 residues pruned to eliminate duplicates Z: 20 11.950 2.064 0.250 0.474 0.789 0.368 CB 1.382 20 residues pruned to eliminate duplicates Z: 19 13.531 2.058 0.274 0.525 0.889 0.389 CB 1.335 19 residues pruned to eliminate duplicates Z: 19 12.220 2.085 0.166 0.519 0.889 0.333 CB 1.308 19 residues pruned to eliminate duplicates Z: 24 11.566 1.821 0.184 0.434 1.000 0.391 CA 1.197 24 residues pruned to eliminate duplicates Z: 14 5.219 2.022 -0.059 0.292 0.692 0.154 CB 1.388 14 residues pruned to eliminate duplicates Z: 11 9.088 2.011 0.086 0.404 0.900 0.300 CA 1.617 11 residues pruned to eliminate duplicates Z: 19 11.698 2.044 0.219 0.509 0.833 0.333 CB 1.316 19 residues pruned to eliminate duplicates Z: 24 12.864 1.934 0.207 0.508 0.913 0.348 CB 1.249 24 residues pruned to eliminate duplicates Z: 7 6.147 1.964 0.395 0.367 0.833 0.667 N 1.268 7 residues pruned to eliminate duplicates Z: 6 6.148 1.950 0.199 0.245 1.000 0.600 CA 1.579 6 residues pruned to eliminate duplicates Z: 23 13.372 2.008 0.277 0.411 0.818 0.364 CB 1.492 23 residues pruned to eliminate duplicates Z: 7 8.253 2.019 0.455 0.345 1.000 0.500 N 1.356 8 residues pruned to eliminate duplicates Z: 12 6.789 1.718 0.851 0.352 0.727 0.455 N 1.039 12 residues pruned to eliminate duplicates Z: 32 18.403 1.956 0.415 0.457 0.871 0.613 CA 1.433 32 residues pruned to eliminate duplicates Z: 31 20.450 2.038 0.510 0.469 0.833 0.633 CA 1.502 43 residues pruned to eliminate duplicates Z: 6 3.967 1.755 0.162 0.390 1.000 0.600 CA 0.977 6 residues pruned to eliminate duplicates Z: 36 21.229 1.975 0.472 0.560 0.829 0.629 CA 1.405 36 residues pruned to eliminate duplicates Z: 45 26.020 1.982 0.401 0.517 0.909 0.614 CA 1.528 45 residues pruned to eliminate duplicates Z: 38 22.344 1.954 0.475 0.577 0.865 0.676 CA 1.369 38 residues pruned to eliminate duplicates Z: 26 20.618 2.060 0.328 0.694 1.000 0.840 CA 1.262 26 residues pruned to eliminate duplicates Z: 32 28.288 2.053 0.582 0.635 0.935 0.677 CA 1.474 32 residues pruned to eliminate duplicates Z: 28 30.646 2.068 0.534 0.688 1.000 0.778 CA 1.565 28 residues pruned to eliminate duplicates Z: 28 24.437 2.062 0.353 0.698 0.963 0.778 CA 1.460 28 residues pruned to eliminate duplicates Z: 47 27.862 1.983 0.355 0.562 0.957 0.652 CA 1.505 47 residues pruned to eliminate duplicates Z: 28 22.705 2.067 0.443 0.524 0.926 0.630 CB 1.546 28 residues pruned to eliminate duplicates Z: 30 26.026 2.052 0.433 0.636 0.931 0.793 CB 1.554 30 residues pruned to eliminate duplicates Z: 35 29.373 2.057 0.451 0.615 1.000 0.794 CA 1.514 35 residues pruned to eliminate duplicates Z: 14 16.122 1.973 0.397 0.707 0.923 0.538 CA 1.456 14 residues pruned to eliminate duplicates Z: 36 22.775 1.987 0.204 0.613 0.943 0.686 CA 1.533 36 residues pruned to eliminate duplicates Z: 46 28.659 1.981 0.394 0.558 0.956 0.578 CA 1.531 46 residues pruned to eliminate duplicates Z: 32 29.149 2.042 0.479 0.682 0.935 0.710 CA 1.568 32 residues pruned to eliminate duplicates Z: 29 22.677 1.861 0.569 0.565 0.929 0.429 CA 1.484 36 residues pruned to eliminate duplicates Z: 13 17.074 1.919 0.666 0.867 0.917 0.750 CA 1.230 13 residues pruned to eliminate duplicates Z: 45 33.796 2.018 0.510 0.583 0.977 0.500 CA 1.579 41 residues pruned to eliminate duplicates Z: 18 24.296 1.969 0.777 0.864 0.882 0.647 CB 1.399 18 residues pruned to eliminate duplicates Z: 24 24.124 2.009 0.517 0.659 0.870 0.435 CB 1.638 24 residues pruned to eliminate duplicates Z: 41 30.285 1.963 0.633 0.603 0.925 0.425 CB 1.464 41 residues pruned to eliminate duplicates Z: 39 36.348 2.068 0.679 0.663 0.895 0.579 CB 1.633 39 residues pruned to eliminate duplicates Z: 32 19.469 1.863 0.423 0.545 0.839 0.290 CB 1.505 32 residues pruned to eliminate duplicates Z: 24 26.343 1.927 0.892 0.677 0.826 0.435 N 1.550 24 residues pruned to eliminate duplicates Z: 39 32.156 2.028 0.563 0.647 0.921 0.658 CB 1.558 39 residues pruned to eliminate duplicates Z: 47 29.863 1.950 0.617 0.577 0.891 0.348 CB 1.454 47 residues pruned to eliminate duplicates Z: 27 24.011 1.915 0.630 0.607 0.885 0.385 CB 1.541 27 residues pruned to eliminate duplicates Z: 45 30.807 1.974 0.574 0.569 0.909 0.432 CB 1.539 45 residues pruned to eliminate duplicates Z: 52 34.273 1.927 0.727 0.555 0.902 0.490 CB 1.515 50 residues pruned to eliminate duplicates Z: 11 12.238 2.183 0.155 0.797 1.000 0.400 CB 1.183 11 residues pruned to eliminate duplicates Z: 8 7.411 2.273 0.410 0.289 0.857 0.143 CB 1.292 8 residues pruned to eliminate duplicates Z: 6 8.876 1.676 1.143 0.380 1.000 0.400 N 1.256 6 residues pruned to eliminate duplicates Z: 61 25.444 2.171 0.389 0.325 0.867 0.433 CB 1.523 61 residues pruned to eliminate duplicates Z: 27 16.648 2.150 0.380 0.293 0.808 0.346 CA 1.719 27 residues pruned to eliminate duplicates Z: 75 30.808 2.187 0.352 0.406 0.919 0.500 CB 1.454 60 residues pruned to eliminate duplicates Z: 6 3.329 1.636 0.762 0.259 0.600 0.400 CA 1.135 Z: 6 3.419 1.771 0.188 0.270 0.800 0.600 C 1.180 Z: 7 4.896 1.465 0.286 0.348 1.000 0.667 N 1.250 Z: 7 4.438 1.853 -0.103 0.420 1.000 0.500 N 1.185 Z: 6 3.637 1.559 0.482 0.305 0.800 0.600 CA 1.093 Z: 6 3.038 1.955 0.697 0.217 0.800 0.200 CA 0.714 6 residues pruned to eliminate duplicates Z: 24 14.173 2.055 0.414 0.364 0.870 0.391 CB 1.355 24 residues pruned to eliminate duplicates Z: 106 43.630 2.178 0.574 0.479 0.829 0.381 CB 1.531 112 residues pruned to eliminate duplicates Z: 6 5.417 1.637 0.675 0.286 1.000 0.200 N 1.124 Z: 34 13.908 2.053 0.258 0.380 0.727 0.515 CA 1.464 34 residues pruned to eliminate duplicates Z: 27 13.478 2.133 0.267 0.416 0.769 0.538 CB 1.387 27 residues pruned to eliminate duplicates Z: 19 10.385 2.006 0.310 0.311 0.722 0.333 CB 1.590 19 residues pruned to eliminate duplicates Z: 35 15.946 2.041 0.263 0.405 0.794 0.412 CB 1.477 35 residues pruned to eliminate duplicates Z: 52 23.964 2.145 0.399 0.340 0.843 0.471 CA 1.578 52 residues pruned to eliminate duplicates Z: 33 17.350 2.069 0.374 0.403 0.812 0.438 CB 1.470 33 residues pruned to eliminate duplicates Z: 30 12.538 1.993 0.240 0.359 0.759 0.379 CB 1.446 35 residues pruned to eliminate duplicates Z: 8 8.427 1.527 0.752 0.592 1.000 0.857 N 1.090 8 residues pruned to eliminate duplicates Z: 14 3.997 1.968 0.093 0.245 0.615 0.385 CB 1.125 14 residues pruned to eliminate duplicates Z: 77 30.003 2.151 0.402 0.379 0.855 0.474 CB 1.518 77 residues pruned to eliminate duplicates Z: 32 18.154 2.025 0.448 0.383 0.871 0.452 CB 1.446 32 residues pruned to eliminate duplicates Z: 80 29.161 2.158 0.375 0.397 0.861 0.430 CB 1.432 81 residues pruned to eliminate duplicates 6 1.536 1.805 0.424 0.412 0.800 0.600 CB 0.366 ? Z: 6 2.140 1.571 0.182 0.254 0.800 0.400 CA 0.855 6 residues pruned to eliminate duplicates Z: 61 33.737 2.187 0.345 0.564 0.917 0.617 CB 1.518 61 residues pruned to eliminate duplicates Z: 45 34.253 2.220 0.352 0.657 0.932 0.750 CB 1.597 45 residues pruned to eliminate duplicates Z: 42 35.543 2.236 0.288 0.692 0.951 0.659 CA 1.700 42 residues pruned to eliminate duplicates Z: 51 31.098 2.133 0.360 0.567 0.900 0.580 CA 1.579 51 residues pruned to eliminate duplicates Z: 42 34.186 2.212 0.303 0.674 0.951 0.634 CB 1.659 42 residues pruned to eliminate duplicates Z: 44 36.937 2.192 0.539 0.671 0.930 0.628 CB 1.533 44 residues pruned to eliminate duplicates Z: 47 33.118 2.201 0.540 0.626 0.913 0.609 CB 1.401 47 residues pruned to eliminate duplicates Z: 34 28.608 2.149 0.347 0.651 0.939 0.606 CA 1.591 34 residues pruned to eliminate duplicates Z: 42 36.474 2.248 0.349 0.704 0.976 0.683 CB 1.599 42 residues pruned to eliminate duplicates Z: 22 29.933 2.172 0.497 0.884 1.000 0.810 CB 1.451 22 residues pruned to eliminate duplicates Z: 42 39.255 2.232 0.440 0.694 0.951 0.732 CB 1.680 42 residues pruned to eliminate duplicates Z: 43 34.528 2.208 0.468 0.641 0.881 0.595 CB 1.634 43 residues pruned to eliminate duplicates Z: 39 38.139 2.204 0.509 0.636 1.000 0.579 CA 1.638 39 residues pruned to eliminate duplicates Z: 25 29.336 2.192 0.642 0.633 0.958 0.667 CA 1.533 25 residues pruned to eliminate duplicates Z: 39 38.721 2.262 0.357 0.676 1.000 0.711 CB 1.741 39 residues pruned to eliminate duplicates Z: 35 38.653 2.294 0.452 0.715 0.971 0.647 CB 1.688 35 residues pruned to eliminate duplicates Z: 42 38.302 2.239 0.434 0.688 0.927 0.659 CA 1.693 42 residues pruned to eliminate duplicates Z: 44 36.968 2.221 0.441 0.671 0.953 0.535 CB 1.578 44 residues pruned to eliminate duplicates Z: 44 40.078 2.200 0.561 0.666 0.907 0.558 CB 1.683 44 residues pruned to eliminate duplicates Z: 40 41.802 2.273 0.508 0.704 0.974 0.641 CB 1.665 40 residues pruned to eliminate duplicates Z: 52 38.307 2.175 0.508 0.621 0.941 0.471 CB 1.551 52 residues pruned to eliminate duplicates Z: 50 37.605 2.232 0.466 0.596 0.918 0.592 CB 1.631 41 residues pruned to eliminate duplicates Z: 22 44.498 2.244 0.761 0.896 1.000 0.619 CB 1.761 38 residues pruned to eliminate duplicates Z: 24 37.057 2.230 0.640 0.798 0.957 0.565 CB 1.702 24 residues pruned to eliminate duplicates Z: 16 12.504 2.171 0.068 0.560 0.933 0.600 CB 1.408 16 residues pruned to eliminate duplicates Z: 107 45.426 2.201 0.472 0.494 0.887 0.453 CB 1.545 106 residues pruned to eliminate duplicates Z: 6 5.156 2.182 0.011 0.438 0.800 0.600 CB 1.393 6 residues pruned to eliminate duplicates Z: 42 44.852 2.256 0.644 0.681 0.951 0.537 CB 1.681 34 residues pruned to eliminate duplicates Z: 12 12.968 2.049 0.501 0.709 0.909 0.455 CB 1.157 12 residues pruned to eliminate duplicates Z: 52 40.484 2.220 0.657 0.633 0.922 0.510 CB 1.476 52 residues pruned to eliminate duplicates Z: 88 44.681 2.238 0.559 0.513 0.885 0.517 CB 1.531 88 residues pruned to eliminate duplicates Z: 103 43.871 2.192 0.510 0.471 0.873 0.431 CB 1.548 103 residues pruned to eliminate duplicates Z: 11 13.963 2.207 0.349 0.786 0.900 0.100 CB 1.281 11 residues pruned to eliminate duplicates Z: 43 35.212 2.180 0.602 0.632 0.905 0.476 CB 1.520 43 residues pruned to eliminate duplicates Z: 22 21.307 2.207 0.452 0.698 0.905 0.429 CB 1.339 22 residues pruned to eliminate duplicates Z: 37 15.607 2.098 0.279 0.504 0.778 0.583 CB 1.241 37 residues pruned to eliminate duplicates Z: 37 17.136 2.112 0.189 0.518 0.833 0.639 CB 1.341 37 residues pruned to eliminate duplicates Z: 7 3.543 2.043 0.160 0.101 0.667 0.333 CA 1.523 6 residues pruned to eliminate duplicates Z: 21 24.117 2.173 0.526 0.823 0.950 0.700 CB 1.294 21 residues pruned to eliminate duplicates Z: 35 22.310 2.163 0.472 0.537 0.853 0.441 CB 1.359 35 residues pruned to eliminate duplicates Z: 20 20.895 2.103 0.590 0.562 0.895 0.421 CB 1.509 18 residues pruned to eliminate duplicates Z: 18 27.385 2.154 0.615 0.896 1.000 0.529 CB 1.367 21 residues pruned to eliminate duplicates Z: 17 18.186 2.086 0.434 0.845 0.938 0.562 CB 1.205 17 residues pruned to eliminate duplicates Z: 18 19.397 2.205 0.644 0.610 0.882 0.471 CB 1.325 18 residues pruned to eliminate duplicates Z: 36 18.972 2.133 0.429 0.545 0.771 0.486 CB 1.305 36 residues pruned to eliminate duplicates Z: 22 19.364 2.216 0.300 0.691 0.905 0.571 CB 1.361 22 residues pruned to eliminate duplicates Z: 21 17.552 2.129 0.740 0.603 0.800 0.300 CB 1.201 21 residues pruned to eliminate duplicates Z: 21 14.799 2.110 0.483 0.580 0.800 0.300 CB 1.224 21 residues pruned to eliminate duplicates Z: 35 22.077 2.164 0.523 0.543 0.824 0.500 CB 1.337 35 residues pruned to eliminate duplicates Z: 36 20.761 2.132 0.395 0.534 0.857 0.429 CB 1.332 36 residues pruned to eliminate duplicates Z: 27 20.695 2.128 0.670 0.646 0.808 0.269 CB 1.234 27 residues pruned to eliminate duplicates Z: 36 18.476 2.128 0.451 0.526 0.743 0.400 CB 1.326 36 residues pruned to eliminate duplicates Z: 36 20.272 2.128 0.514 0.537 0.800 0.371 CB 1.281 36 residues pruned to eliminate duplicates Z: 36 20.977 2.139 0.504 0.522 0.800 0.400 CB 1.348 36 residues pruned to eliminate duplicates Z: 33 19.147 2.085 0.534 0.534 0.781 0.438 CB 1.310 33 residues pruned to eliminate duplicates Z: 26 20.355 2.124 0.609 0.660 0.760 0.360 CB 1.352 26 residues pruned to eliminate duplicates Z: 37 20.559 2.091 0.564 0.506 0.750 0.333 CB 1.388 25 residues pruned to eliminate duplicates Z: 22 21.704 2.113 0.879 0.766 0.714 0.429 CB 1.319 22 residues pruned to eliminate duplicates Z: 25 24.119 2.124 0.735 0.688 0.833 0.375 CB 1.350 25 residues pruned to eliminate duplicates Z: 23 12.030 1.994 0.516 0.355 0.682 0.500 CB 1.456 23 residues pruned to eliminate duplicates Z: 34 16.744 2.039 0.555 0.392 0.727 0.364 CB 1.417 35 residues pruned to eliminate duplicates Z: 6 3.409 1.699 0.531 0.164 0.800 0.400 O 1.102 6 residues pruned to eliminate duplicates Z: 36 19.567 2.155 0.399 0.532 0.771 0.286 CB 1.377 37 residues pruned to eliminate duplicates Z: 6 3.045 1.486 0.527 0.332 0.600 0.600 O 1.203 6 residues pruned to eliminate duplicates Z: 7 4.085 1.920 0.333 0.249 0.667 0.500 CB 1.305 6 residues pruned to eliminate duplicates Z: 6 4.993 1.674 0.883 0.274 0.800 0.400 CB 1.144 6 residues pruned to eliminate duplicates Z: 13 4.624 1.679 0.273 0.148 0.667 0.167 C 1.445 11 residues pruned to eliminate duplicates Z: 7 3.749 1.589 0.315 0.545 0.667 0.167 CA 1.051 7 residues pruned to eliminate duplicates Z: 25 12.154 1.930 0.233 0.436 0.792 0.375 CB 1.406 33 residues pruned to eliminate duplicates Z: 6 4.131 1.775 0.014 0.531 0.800 0.400 CA 1.245 6 residues pruned to eliminate duplicates Z: 26 14.139 1.939 0.345 0.375 0.840 0.400 CB 1.476 27 residues pruned to eliminate duplicates Z: 8 7.894 1.828 0.335 0.538 1.000 0.429 CA 1.178 8 residues pruned to eliminate duplicates Z: 10 8.478 2.027 0.530 0.419 0.667 0.333 CB 1.488 10 residues pruned to eliminate duplicates Z: 29 12.442 1.851 0.310 0.276 0.857 0.286 CA 1.459 29 residues pruned to eliminate duplicates Z: 8 16.258 2.155 0.843 0.557 1.000 0.429 CB 1.464 8 residues pruned to eliminate duplicates Z: 6 7.860 1.744 0.688 0.659 1.000 0.800 CA 1.031 6 residues pruned to eliminate duplicates Z: 25 11.972 1.824 0.489 0.395 0.750 0.292 CB 1.341 25 residues pruned to eliminate duplicates Z: 13 7.278 1.733 0.614 0.397 0.750 0.500 CB 1.116 12 residues pruned to eliminate duplicates Z: 8 2.635 1.693 0.290 0.223 0.571 0.286 CB 1.104 8 residues pruned to eliminate duplicates Z: 28 16.864 2.060 0.615 0.328 0.852 0.519 CB 1.383 28 residues pruned to eliminate duplicates Z: 28 16.369 2.060 0.379 0.390 0.889 0.556 CB 1.402 28 residues pruned to eliminate duplicates Z: 23 13.304 2.033 0.588 0.312 0.818 0.545 CB 1.322 23 residues pruned to eliminate duplicates Z: 35 16.301 1.966 0.518 0.297 0.853 0.412 CB 1.379 35 residues pruned to eliminate duplicates Z: 29 16.493 2.003 0.476 0.318 0.857 0.500 CB 1.503 29 residues pruned to eliminate duplicates Z: 20 10.846 2.052 0.404 0.344 0.737 0.474 CB 1.389 20 residues pruned to eliminate duplicates Z: 30 11.437 2.020 0.304 0.318 0.793 0.483 CB 1.243 30 residues pruned to eliminate duplicates Z: 30 14.642 2.007 0.366 0.296 0.862 0.448 CB 1.444 30 residues pruned to eliminate duplicates Z: 31 15.160 2.012 0.499 0.326 0.800 0.467 CB 1.389 31 residues pruned to eliminate duplicates Z: 31 15.600 1.979 0.505 0.336 0.833 0.433 CB 1.373 31 residues pruned to eliminate duplicates Z: 35 16.380 2.009 0.538 0.313 0.824 0.412 CB 1.358 37 residues pruned to eliminate duplicates Z: 6 4.094 1.840 0.114 0.334 0.800 0.200 CA 1.339 6 residues pruned to eliminate duplicates Z: 35 18.621 2.024 0.483 0.301 0.912 0.412 CB 1.457 34 residues pruned to eliminate duplicates Z: 6 3.378 1.620 0.333 0.376 1.000 0.600 CA 0.799 6 residues pruned to eliminate duplicates Z: 31 17.036 1.958 0.540 0.334 0.933 0.367 CB 1.324 31 residues pruned to eliminate duplicates Z: 43 20.445 2.023 0.342 0.448 0.810 0.500 CA 1.514 43 residues pruned to eliminate duplicates Z: 27 13.959 2.046 0.489 0.359 0.808 0.462 CB 1.295 27 residues pruned to eliminate duplicates Z: 26 12.815 2.053 0.449 0.330 0.800 0.400 CB 1.298 26 residues pruned to eliminate duplicates Z: 28 16.409 2.058 0.542 0.331 0.852 0.333 CB 1.406 28 residues pruned to eliminate duplicates Z: 29 19.034 2.011 0.622 0.372 0.893 0.536 CB 1.416 29 residues pruned to eliminate duplicates Z: 20 14.093 2.054 0.503 0.309 0.947 0.263 CB 1.366 20 residues pruned to eliminate duplicates Z: 43 20.134 2.030 0.275 0.435 0.929 0.548 CB 1.382 43 residues pruned to eliminate duplicates Z: 24 14.540 1.954 0.323 0.500 0.870 0.565 CA 1.348 24 residues pruned to eliminate duplicates Z: 24 17.317 1.962 0.504 0.471 0.913 0.565 CB 1.379 24 residues pruned to eliminate duplicates Z: 32 12.064 1.927 0.335 0.320 0.839 0.484 CB 1.225 32 residues pruned to eliminate duplicates Z: 9 5.555 1.824 0.380 0.262 0.750 0.500 CA 1.365 9 residues pruned to eliminate duplicates Z: 22 15.322 1.945 0.350 0.530 0.952 0.571 CB 1.298 22 residues pruned to eliminate duplicates Z: 6 3.743 1.511 0.188 0.481 1.000 0.800 CA 0.950 6 residues pruned to eliminate duplicates Z: 10 12.115 2.070 0.169 0.741 1.000 0.778 CA 1.344 10 residues pruned to eliminate duplicates Z: 10 12.901 2.059 0.212 0.791 1.000 0.889 CA 1.335 10 residues pruned to eliminate duplicates Z: 15 13.346 1.957 0.621 0.427 0.857 0.500 CA 1.416 15 residues pruned to eliminate duplicates Z: 17 15.754 2.004 0.406 0.563 0.938 0.375 CA 1.402 17 residues pruned to eliminate duplicates Z: 13 12.627 1.986 0.468 0.513 0.833 0.500 CA 1.481 13 residues pruned to eliminate duplicates Z: 18 17.844 2.014 0.499 0.590 0.941 0.588 CA 1.397 18 residues pruned to eliminate duplicates Z: 18 13.441 1.987 0.341 0.578 0.824 0.529 CA 1.378 18 residues pruned to eliminate duplicates Z: 16 13.351 1.905 0.586 0.464 0.800 0.467 CA 1.479 16 residues pruned to eliminate duplicates Z: 20 15.614 1.938 0.519 0.526 0.842 0.474 CA 1.409 19 residues pruned to eliminate duplicates Z: 11 12.632 1.923 0.472 0.673 1.000 0.700 CA 1.202 11 residues pruned to eliminate duplicates Z: 15 14.847 2.064 0.499 0.483 0.929 0.571 CA 1.405 15 residues pruned to eliminate duplicates Z: 11 11.306 2.059 0.523 0.515 0.900 0.600 CA 1.248 11 residues pruned to eliminate duplicates Z: 18 19.983 2.046 0.612 0.581 0.941 0.588 CA 1.444 19 residues pruned to eliminate duplicates Z: 10 9.253 1.581 0.923 0.784 1.000 0.667 CA 0.790 10 residues pruned to eliminate duplicates Z: 18 16.227 1.977 0.687 0.627 0.941 0.588 CA 1.113 18 residues pruned to eliminate duplicates Z: 14 15.825 2.017 0.713 0.577 0.923 0.538 CA 1.278 14 residues pruned to eliminate duplicates Z: 9 3.335 1.506 0.718 0.199 0.625 0.125 CB 1.043 5 residues pruned to eliminate duplicates Z: 9 10.316 1.625 0.934 0.789 0.875 0.625 CA 1.029 12 residues pruned to eliminate duplicates Z: 7 4.166 1.513 0.542 0.384 0.667 0.333 CB 1.236 7 residues pruned to eliminate duplicates Z: 9 4.726 1.780 0.179 0.408 0.750 0.375 CA 1.170 8 residues pruned to eliminate duplicates Z: 8 4.430 1.705 0.527 0.472 0.571 0.143 CA 1.158 8 residues pruned to eliminate duplicates Z: 20 10.123 1.900 0.268 0.426 0.789 0.421 CA 1.319 20 residues pruned to eliminate duplicates Z: 10 3.031 1.741 0.266 0.260 0.667 0.111 CA 0.904 10 residues pruned to eliminate duplicates Z: 24 16.480 1.978 0.338 0.484 0.913 0.609 CB 1.445 24 residues pruned to eliminate duplicates Z: 34 18.620 1.974 0.212 0.497 0.909 0.576 CA 1.495 34 residues pruned to eliminate duplicates Z: 32 18.040 2.004 0.164 0.483 0.935 0.581 CB 1.510 32 residues pruned to eliminate duplicates Z: 35 15.947 1.953 0.198 0.466 0.853 0.618 CA 1.418 35 residues pruned to eliminate duplicates Z: 76 27.422 2.087 0.387 0.401 0.840 0.520 CB 1.445 112 residues pruned to eliminate duplicates Z: 21 18.669 2.083 0.223 0.552 1.000 0.650 CB 1.557 Z: 6 4.353 1.720 0.788 0.465 1.000 0.600 CA 0.656 Z: 6 5.162 1.619 0.743 0.381 1.000 0.400 CA 0.928 Z: 15 17.609 2.124 0.461 0.545 0.929 0.714 CA 1.563 21 residues pruned to eliminate duplicates Z: 15 15.642 2.148 0.416 0.528 0.929 0.643 CB 1.440 15 residues pruned to eliminate duplicates Z: 14 17.440 2.112 0.456 0.570 1.000 0.692 CB 1.470 20 residues pruned to eliminate duplicates Z: 6 5.339 1.463 0.793 0.400 1.000 0.400 CA 1.011 6 residues pruned to eliminate duplicates Z: 17 14.920 1.967 0.537 0.475 0.875 0.688 CB 1.446 17 residues pruned to eliminate duplicates Z: 14 21.064 2.167 0.577 0.541 1.000 0.692 CA 1.643 14 residues pruned to eliminate duplicates Z: 14 20.642 2.150 0.558 0.534 1.000 0.692 CB 1.652 14 residues pruned to eliminate duplicates Z: 20 17.775 2.122 0.200 0.530 0.947 0.737 CB 1.642 20 residues pruned to eliminate duplicates Z: 21 16.102 2.014 0.312 0.524 0.950 0.600 CB 1.401 21 residues pruned to eliminate duplicates Z: 12 9.111 1.911 0.192 0.497 0.909 0.636 CB 1.330 12 residues pruned to eliminate duplicates Z: 22 11.019 1.926 0.301 0.355 0.810 0.381 CB 1.386 21 residues pruned to eliminate duplicates Z: 6 3.242 1.668 0.439 0.300 0.800 0.200 CB 0.944 6 residues pruned to eliminate duplicates Z: 18 13.123 2.015 0.233 0.425 0.941 0.529 CA 1.471 20 residues pruned to eliminate duplicates Z: 6 2.265 1.652 0.158 0.303 0.600 0.600 CA 1.099 6 residues pruned to eliminate duplicates Z: 19 12.234 1.962 0.317 0.361 0.889 0.500 CB 1.458 19 residues pruned to eliminate duplicates Z: 6 3.561 1.540 0.176 0.371 1.000 0.400 C 1.009 6 residues pruned to eliminate duplicates Z: 7 2.243 1.432 0.209 0.337 0.833 0.500 CB 0.758 7 residues pruned to eliminate duplicates Z: 6 4.132 1.755 -0.047 0.539 0.800 0.000 CA 1.330 Z: 9 5.901 1.435 0.520 0.720 0.750 0.375 CA 1.044 6 residues pruned to eliminate duplicates Z: 7 3.325 1.701 -0.301 0.551 0.833 0.167 CA 1.303 7 residues pruned to eliminate duplicates Z: 7 4.660 1.767 0.032 0.585 0.667 0.333 O 1.442 7 residues pruned to eliminate duplicates Z: 7 3.301 1.787 -0.073 0.583 0.500 0.333 C 1.503 7 residues pruned to eliminate duplicates Z: 18 10.230 1.824 0.514 0.253 0.941 0.235 CB 1.269 18 residues pruned to eliminate duplicates Z: 12 11.524 1.986 0.581 0.306 0.909 0.364 CB 1.511 12 residues pruned to eliminate duplicates Z: 6 4.730 1.607 0.298 0.480 1.000 0.800 CA 1.035 6 residues pruned to eliminate duplicates Z: 15 12.138 1.994 0.493 0.318 0.857 0.357 CB 1.554 15 residues pruned to eliminate duplicates Z: 16 12.417 1.806 0.598 0.397 0.933 0.400 CA 1.326 17 residues pruned to eliminate duplicates Z: 7 4.300 1.847 0.813 0.290 0.667 0.500 CB 0.995 7 residues pruned to eliminate duplicates 490 residues left after pruning, divided into chains as follows: A: 7 B: 7 C: 18 D: 7 E: 10 F: 19 G: 21 H: 112 I: 106 J: 33 K: 26 L: 44 M: 19 N: 14 O: 18 P: 7 Q: 10 R: 12 CC for partial structure against native data = 15.93 % ------------------------------------------------------------------------------ Global autotracing cycle 30 = 0.300, Contrast = 0.406, Connect. = 0.676 for dens.mod. cycle 1 = 0.300, Contrast = 0.472, Connect. = 0.698 for dens.mod. cycle 2 = 0.300, Contrast = 0.542, Connect. = 0.733 for dens.mod. cycle 3 = 0.300, Contrast = 0.549, Connect. = 0.739 for dens.mod. cycle 4 = 0.300, Contrast = 0.557, Connect. = 0.744 for dens.mod. cycle 5 = 0.300, Contrast = 0.561, Connect. = 0.748 for dens.mod. cycle 6 = 0.300, Contrast = 0.565, Connect. = 0.751 for dens.mod. cycle 7 = 0.300, Contrast = 0.567, Connect. = 0.753 for dens.mod. cycle 8 = 0.300, Contrast = 0.568, Connect. = 0.755 for dens.mod. cycle 9 = 0.300, Contrast = 0.569, Connect. = 0.756 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6958 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1147 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 16.437 2.042 0.465 0.842 0.923 0.846 CB 1.231 B: 20 38.868 2.316 0.496 0.914 1.000 0.842 CB 1.820 C: 20 35.320 2.327 0.337 0.923 1.000 0.737 CB 1.830 20 residues pruned to eliminate duplicates D: 21 32.168 2.139 0.404 0.943 1.000 1.000 CB 1.660 20 residues pruned to eliminate duplicates E: 20 41.240 2.277 0.595 0.918 1.000 0.947 CA 1.837 21 residues pruned to eliminate duplicates F: 14 39.918 2.459 0.671 0.920 1.000 0.923 CB 1.896 14 residues pruned to eliminate duplicates G: 15 14.707 2.095 0.107 0.582 1.000 0.786 CA 1.568 H: 27 12.991 1.944 0.327 0.390 0.923 0.423 CB 1.202 I: 16 26.657 2.191 0.426 0.839 0.933 0.667 CB 1.762 16 residues pruned to eliminate duplicates J: 21 44.717 2.341 0.585 0.918 1.000 0.750 CB 1.900 20 residues pruned to eliminate duplicates K: 20 22.999 2.154 0.300 0.911 1.000 0.895 CB 1.336 13 residues pruned to eliminate duplicates L: 21 37.758 2.329 0.379 0.884 1.000 0.750 CB 1.900 21 residues pruned to eliminate duplicates M: 22 25.276 2.196 0.203 0.875 0.905 0.714 CB 1.679 22 residues pruned to eliminate duplicates N: 23 37.943 2.158 0.492 0.907 1.000 0.864 CB 1.786 23 residues pruned to eliminate duplicates O: 23 32.364 2.147 0.526 0.877 0.955 0.727 CB 1.603 23 residues pruned to eliminate duplicates P: 17 18.598 2.105 0.475 0.888 0.938 0.750 CB 1.151 17 residues pruned to eliminate duplicates Q: 22 28.662 2.186 0.204 0.905 1.000 0.905 CB 1.691 22 residues pruned to eliminate duplicates R: 7 7.931 1.905 0.736 0.399 0.833 0.333 CB 1.307 S: 21 36.262 2.296 0.329 0.914 1.000 0.650 CB 1.880 21 residues pruned to eliminate duplicates T: 16 24.589 2.111 0.302 0.879 0.933 0.667 CA 1.794 U: 12 4.893 1.767 -0.173 0.398 1.000 0.455 CA 1.124 V: 6 4.137 1.705 0.046 0.529 0.800 0.400 N 1.261 W: 22 34.651 2.213 0.503 0.854 0.905 0.667 CB 1.856 22 residues pruned to eliminate duplicates X: 11 7.178 1.879 0.565 0.367 0.600 0.400 N 1.484 Y: 20 17.234 2.208 0.426 0.345 0.842 0.474 CA 1.764 Z: 9 13.851 2.305 -0.058 0.910 1.000 0.875 CB 1.599 9 residues pruned to eliminate duplicates Z: 7 4.244 1.892 0.051 0.476 0.833 0.333 CB 1.071 7 residues pruned to eliminate duplicates Z: 9 7.714 1.911 0.257 0.401 1.000 0.500 CB 1.260 9 residues pruned to eliminate duplicates Z: 18 10.442 1.965 0.252 0.372 0.824 0.353 CB 1.433 Z: 22 25.053 2.111 0.316 0.861 1.000 0.857 CB 1.446 22 residues pruned to eliminate duplicates Z: 6 3.598 1.714 0.400 0.298 0.800 0.600 CB 1.051 Z: 21 34.596 2.172 0.720 0.849 0.850 0.550 N 1.807 21 residues pruned to eliminate duplicates Z: 16 22.244 2.027 0.421 0.858 0.933 0.733 CB 1.573 16 residues pruned to eliminate duplicates Z: 52 39.174 2.213 0.510 0.638 0.902 0.510 CB 1.600 21 residues pruned to eliminate duplicates Z: 12 5.591 1.827 0.226 0.402 0.727 0.545 CA 1.147 12 residues pruned to eliminate duplicates Z: 21 13.368 1.942 0.380 0.392 0.850 0.400 CA 1.472 Z: 22 39.706 2.146 0.623 0.899 1.000 0.810 CA 1.778 22 residues pruned to eliminate duplicates Z: 21 18.101 2.162 0.575 0.834 0.650 0.350 CB 1.371 22 residues pruned to eliminate duplicates Z: 9 3.664 1.991 0.165 0.308 0.875 0.375 CB 0.790 9 residues pruned to eliminate duplicates Z: 10 15.455 2.311 0.402 0.801 0.889 0.444 CB 1.374 10 residues pruned to eliminate duplicates Z: 22 24.880 1.983 0.451 0.828 0.905 0.619 CA 1.571 16 residues pruned to eliminate duplicates Z: 11 6.728 1.850 0.394 0.355 0.700 0.300 CB 1.378 Z: 55 34.650 2.120 0.478 0.615 0.907 0.463 CB 1.487 55 residues pruned to eliminate duplicates Z: 21 36.973 2.203 0.485 0.882 1.000 0.850 CA 1.829 21 residues pruned to eliminate duplicates Z: 14 14.617 2.027 0.494 0.497 0.846 0.462 CA 1.587 Z: 73 39.549 2.217 0.506 0.518 0.875 0.431 CB 1.568 75 residues pruned to eliminate duplicates Z: 22 23.724 2.074 0.428 0.901 0.952 0.714 CB 1.310 22 residues pruned to eliminate duplicates Z: 13 13.399 1.951 0.274 0.669 0.917 0.833 CA 1.453 Z: 15 23.194 1.798 0.727 0.886 1.000 0.643 N 1.441 15 residues pruned to eliminate duplicates Z: 28 13.847 2.056 0.615 0.298 0.704 0.407 CB 1.428 17 residues pruned to eliminate duplicates Z: 20 17.366 1.915 0.348 0.878 0.947 0.789 CA 1.183 14 residues pruned to eliminate duplicates Z: 10 12.700 2.157 0.249 0.758 0.889 0.889 CA 1.405 Z: 22 30.341 2.161 0.578 0.915 1.000 0.810 CB 1.373 20 residues pruned to eliminate duplicates Z: 10 10.228 1.996 0.058 0.541 1.000 0.667 CB 1.550 Z: 18 14.215 2.113 0.220 0.495 0.882 0.471 CB 1.523 18 residues pruned to eliminate duplicates Z: 11 5.389 2.028 0.047 0.250 0.700 0.500 CB 1.529 Z: 20 28.813 2.004 0.571 0.874 0.947 0.579 CA 1.612 20 residues pruned to eliminate duplicates Z: 14 13.596 2.110 0.344 0.496 0.923 0.538 CB 1.448 10 residues pruned to eliminate duplicates Z: 6 3.286 2.002 -0.218 0.486 0.800 0.600 CB 1.190 Z: 56 24.168 2.151 0.382 0.341 0.818 0.491 CB 1.593 31 residues pruned to eliminate duplicates Z: 21 38.993 2.272 0.536 0.920 1.000 0.850 CB 1.760 21 residues pruned to eliminate duplicates Z: 15 12.390 1.980 0.278 0.575 0.929 0.500 CB 1.311 Z: 44 23.567 2.050 0.375 0.441 0.907 0.581 CB 1.494 40 residues pruned to eliminate duplicates Z: 14 13.849 2.034 0.275 0.528 1.000 0.615 CB 1.441 14 residues pruned to eliminate duplicates Z: 44 18.226 2.162 0.262 0.274 0.837 0.442 CB 1.571 44 residues pruned to eliminate duplicates Z: 13 25.516 2.263 0.589 0.893 1.000 0.833 CA 1.471 13 residues pruned to eliminate duplicates Z: 19 22.742 2.056 0.826 0.868 0.944 0.556 CA 1.105 18 residues pruned to eliminate duplicates Z: 15 18.789 2.007 0.916 0.869 0.929 0.857 CA 1.027 15 residues pruned to eliminate duplicates Z: 14 22.213 2.224 0.458 0.908 1.000 0.846 CA 1.349 14 residues pruned to eliminate duplicates Z: 12 10.392 2.146 0.080 0.822 0.818 0.545 CB 1.250 12 residues pruned to eliminate duplicates Z: 14 22.001 2.232 0.499 0.920 1.000 0.846 CB 1.284 14 residues pruned to eliminate duplicates Z: 7 2.786 1.455 0.630 0.083 0.667 0.500 O 1.233 Z: 6 6.957 1.589 0.749 0.646 0.800 0.800 CA 1.221 Z: 9 8.189 1.921 0.110 0.634 1.000 0.625 CB 1.197 Z: 6 3.512 1.967 0.225 0.265 0.600 0.400 CB 1.420 6 residues pruned to eliminate duplicates Z: 11 10.983 1.960 0.318 0.582 0.900 0.700 CB 1.381 10 residues pruned to eliminate duplicates Z: 13 7.413 1.927 0.426 0.520 0.833 0.667 CB 0.917 13 residues pruned to eliminate duplicates Z: 107 42.114 2.177 0.398 0.477 0.887 0.519 CB 1.551 107 residues pruned to eliminate duplicates Z: 14 18.949 2.125 0.307 0.648 1.000 0.846 CB 1.648 14 residues pruned to eliminate duplicates Z: 12 10.640 1.816 0.408 0.749 0.818 0.545 CA 1.228 12 residues pruned to eliminate duplicates Z: 12 6.994 2.096 0.255 0.416 0.818 0.455 CB 1.071 12 residues pruned to eliminate duplicates Z: 16 26.499 2.062 0.565 0.924 0.933 0.667 CA 1.595 16 residues pruned to eliminate duplicates Z: 70 25.405 2.130 0.350 0.356 0.855 0.464 CB 1.454 70 residues pruned to eliminate duplicates Z: 76 40.367 2.199 0.448 0.534 0.893 0.533 CB 1.584 75 residues pruned to eliminate duplicates Z: 9 11.028 2.063 -0.077 0.879 1.000 1.000 CB 1.485 9 residues pruned to eliminate duplicates Z: 44 23.986 2.060 0.384 0.441 0.907 0.605 CB 1.503 43 residues pruned to eliminate duplicates Z: 38 24.891 2.041 0.446 0.641 0.973 0.649 CA 1.249 38 residues pruned to eliminate duplicates Z: 9 5.016 1.673 0.495 0.535 0.750 0.625 CB 0.913 9 residues pruned to eliminate duplicates Z: 6 2.641 1.551 0.233 0.455 0.800 0.400 N 0.808 Z: 21 29.482 1.957 0.658 0.899 1.000 0.800 CA 1.452 21 residues pruned to eliminate duplicates Z: 15 16.372 1.811 0.451 0.867 0.857 0.857 CB 1.421 15 residues pruned to eliminate duplicates Z: 7 11.037 2.011 0.473 0.727 1.000 0.833 CA 1.240 Z: 12 17.856 1.957 0.326 0.849 0.909 0.636 N 1.692 12 residues pruned to eliminate duplicates Z: 6 11.463 2.100 0.361 0.616 1.000 0.600 CB 1.606 6 residues pruned to eliminate duplicates Z: 12 12.601 2.126 0.037 0.832 1.000 0.455 CB 1.294 Z: 9 12.797 1.854 0.346 0.835 0.875 0.625 CB 1.552 4 residues pruned to eliminate duplicates Z: 8 3.455 1.480 0.251 0.503 0.857 0.571 CB 0.820 Z: 22 34.022 2.177 0.539 0.856 0.952 0.524 CB 1.717 22 residues pruned to eliminate duplicates Z: 18 12.048 2.030 0.286 0.466 0.824 0.588 CB 1.408 18 residues pruned to eliminate duplicates Z: 9 20.647 2.228 0.435 0.895 1.000 1.000 CB 1.637 9 residues pruned to eliminate duplicates Z: 42 21.124 2.085 0.269 0.445 0.878 0.610 CA 1.502 42 residues pruned to eliminate duplicates Z: 18 17.320 1.953 0.613 0.811 0.882 0.824 CA 1.153 18 residues pruned to eliminate duplicates Z: 10 11.559 2.173 0.048 0.859 0.889 0.556 CB 1.400 10 residues pruned to eliminate duplicates Z: 15 22.436 2.176 0.560 0.893 1.000 0.857 CB 1.268 15 residues pruned to eliminate duplicates Z: 8 4.074 1.380 0.819 0.385 0.714 0.286 CB 0.970 Z: 10 14.685 1.912 0.251 0.826 1.000 0.444 CA 1.544 10 residues pruned to eliminate duplicates Z: 8 5.452 2.025 0.345 0.330 0.714 0.429 CB 1.276 8 residues pruned to eliminate duplicates Z: 12 9.588 1.879 0.163 0.564 0.909 0.455 CA 1.368 12 residues pruned to eliminate duplicates Z: 35 16.647 2.055 0.420 0.342 0.824 0.529 CB 1.410 35 residues pruned to eliminate duplicates Z: 12 10.583 1.973 0.330 0.648 0.909 0.636 CB 1.165 12 residues pruned to eliminate duplicates Z: 52 17.724 1.987 0.383 0.318 0.863 0.373 CB 1.279 52 residues pruned to eliminate duplicates Z: 15 8.646 1.878 0.204 0.417 0.857 0.357 CB 1.300 11 residues pruned to eliminate duplicates Z: 21 6.639 1.823 0.431 0.448 0.700 0.450 CB 0.857 7 residues pruned to eliminate duplicates Z: 9 4.004 1.971 0.173 0.194 0.625 0.250 CB 1.411 9 residues pruned to eliminate duplicates Z: 22 25.390 2.073 0.693 0.919 1.000 0.667 CB 1.113 22 residues pruned to eliminate duplicates Z: 6 5.224 1.811 0.060 0.710 1.000 1.000 CB 1.006 6 residues pruned to eliminate duplicates Z: 49 21.380 2.054 0.414 0.399 0.833 0.417 CB 1.418 49 residues pruned to eliminate duplicates Z: 12 6.768 1.661 0.344 0.553 0.909 0.545 CB 0.954 11 residues pruned to eliminate duplicates Z: 18 13.514 1.991 0.173 0.461 0.941 0.706 CA 1.551 19 residues pruned to eliminate duplicates Z: 14 9.702 1.844 0.402 0.418 0.923 0.462 CB 1.227 12 residues pruned to eliminate duplicates Z: 16 10.313 2.025 0.229 0.483 1.000 0.733 CB 1.089 16 residues pruned to eliminate duplicates Z: 10 7.122 2.012 0.418 0.401 0.667 0.444 CB 1.386 10 residues pruned to eliminate duplicates Z: 10 15.527 1.891 0.248 0.833 1.000 0.667 N 1.644 10 residues pruned to eliminate duplicates Z: 20 17.131 2.122 0.179 0.855 0.947 0.789 CB 1.224 20 residues pruned to eliminate duplicates Z: 6 3.620 1.706 0.133 0.459 1.000 0.600 CB 0.874 Z: 19 18.222 2.003 0.671 0.883 0.889 0.833 CA 1.044 19 residues pruned to eliminate duplicates Z: 8 5.537 2.035 -0.007 0.654 0.714 0.714 CB 1.256 Z: 6 3.066 1.380 0.200 0.560 1.000 0.600 CB 0.781 Z: 8 3.868 1.763 0.071 0.346 0.714 0.429 CB 1.281 Z: 65 25.710 2.134 0.410 0.356 0.828 0.516 CB 1.506 65 residues pruned to eliminate duplicates Z: 10 15.068 1.860 0.259 0.889 1.000 0.667 CA 1.544 10 residues pruned to eliminate duplicates Z: 11 3.920 1.879 0.154 0.327 0.700 0.700 CB 0.987 6 residues pruned to eliminate duplicates Z: 20 33.055 2.294 0.299 0.891 1.000 0.789 CB 1.828 20 residues pruned to eliminate duplicates Z: 13 13.308 2.095 0.161 0.805 1.000 0.583 CB 1.210 13 residues pruned to eliminate duplicates Z: 14 5.275 1.811 0.470 0.222 0.615 0.308 CB 1.238 14 residues pruned to eliminate duplicates Z: 14 6.768 1.887 0.628 0.299 0.615 0.462 CB 1.243 14 residues pruned to eliminate duplicates Z: 42 18.066 2.026 0.290 0.368 0.902 0.512 CB 1.379 43 residues pruned to eliminate duplicates Z: 15 14.183 2.115 0.181 0.794 0.929 0.571 CB 1.264 15 residues pruned to eliminate duplicates Z: 13 7.464 1.897 0.734 0.280 0.667 0.417 CA 1.261 Z: 13 8.513 1.761 0.432 0.391 0.750 0.333 CA 1.459 7 residues pruned to eliminate duplicates Z: 51 25.369 2.003 0.393 0.559 0.940 0.620 CA 1.292 53 residues pruned to eliminate duplicates Z: 18 19.608 1.905 0.361 0.867 0.941 0.824 CA 1.426 18 residues pruned to eliminate duplicates Z: 12 6.940 1.992 0.096 0.551 0.818 0.818 CB 1.115 12 residues pruned to eliminate duplicates Z: 7 7.333 1.615 0.850 0.549 1.000 0.833 CB 0.955 7 residues pruned to eliminate duplicates Z: 12 20.339 2.254 0.370 0.895 1.000 0.909 CB 1.423 12 residues pruned to eliminate duplicates Z: 9 5.961 1.961 0.303 0.352 0.750 0.250 CA 1.291 11 residues pruned to eliminate duplicates Z: 11 12.040 1.933 0.441 0.879 0.900 0.500 CB 1.101 11 residues pruned to eliminate duplicates Z: 8 7.075 2.270 0.131 0.705 0.571 0.286 CB 1.513 8 residues pruned to eliminate duplicates Z: 7 11.070 2.274 -0.199 0.841 1.000 0.667 CB 1.850 7 residues pruned to eliminate duplicates Z: 20 22.982 2.002 0.211 0.869 1.000 0.895 CA 1.588 20 residues pruned to eliminate duplicates Z: 33 17.348 2.160 0.389 0.312 0.812 0.375 CB 1.550 33 residues pruned to eliminate duplicates Z: 12 13.236 1.731 0.950 0.861 0.909 0.818 CA 0.956 12 residues pruned to eliminate duplicates Z: 34 20.824 2.105 0.437 0.556 0.848 0.697 CB 1.337 34 residues pruned to eliminate duplicates Z: 38 23.459 1.955 0.457 0.599 1.000 0.730 CA 1.232 36 residues pruned to eliminate duplicates Z: 10 18.311 1.836 1.060 0.820 1.000 0.778 CB 1.222 9 residues pruned to eliminate duplicates Z: 11 14.958 1.965 0.423 0.822 0.800 0.600 CA 1.600 11 residues pruned to eliminate duplicates Z: 14 9.787 1.783 0.550 0.513 0.846 0.385 CA 1.146 14 residues pruned to eliminate duplicates Z: 9 5.651 1.816 0.524 0.305 0.750 0.500 N 1.195 9 residues pruned to eliminate duplicates Z: 15 24.178 2.020 0.463 0.858 0.929 0.500 CB 1.734 15 residues pruned to eliminate duplicates Z: 11 10.467 2.116 -0.033 0.806 1.000 0.600 CB 1.239 10 residues pruned to eliminate duplicates Z: 24 12.817 2.074 0.258 0.332 0.783 0.391 CB 1.573 24 residues pruned to eliminate duplicates Z: 51 23.174 2.170 0.333 0.351 0.860 0.480 CB 1.549 51 residues pruned to eliminate duplicates Z: 10 11.759 2.063 0.679 0.349 0.889 0.333 CA 1.500 12 residues pruned to eliminate duplicates 6 1.195 1.364 0.287 0.286 0.800 0.400 CB 0.484 ? Z: 14 26.577 2.211 0.879 0.904 0.846 0.692 CB 1.494 14 residues pruned to eliminate duplicates Z: 12 5.451 1.578 0.234 0.415 0.818 0.364 CA 1.127 12 residues pruned to eliminate duplicates Z: 6 4.328 1.691 0.100 0.422 1.000 0.800 CA 1.129 Z: 19 13.615 1.882 0.541 0.518 0.778 0.667 CA 1.398 19 residues pruned to eliminate duplicates Z: 11 6.711 1.858 0.568 0.379 1.000 0.500 CB 0.829 11 residues pruned to eliminate duplicates Z: 14 9.631 2.011 0.189 0.437 0.846 0.538 CB 1.409 11 residues pruned to eliminate duplicates Z: 10 11.775 2.135 -0.124 0.829 1.000 0.778 CB 1.578 10 residues pruned to eliminate duplicates Z: 19 13.675 2.052 0.396 0.365 0.833 0.389 CB 1.561 19 residues pruned to eliminate duplicates Z: 9 4.151 1.626 0.380 0.184 0.750 0.375 CB 1.275 6 1.500 1.473 0.024 0.468 0.600 0.400 CB 0.766 ? Z: 11 9.809 1.898 0.325 0.432 0.800 0.600 C 1.655 11 residues pruned to eliminate duplicates Z: 15 21.166 2.006 0.661 0.884 0.929 0.786 CA 1.321 15 residues pruned to eliminate duplicates Z: 11 14.300 2.121 0.366 0.562 0.900 0.700 CA 1.633 12 residues pruned to eliminate duplicates Z: 9 6.100 1.799 0.123 0.402 0.875 0.375 CB 1.352 9 residues pruned to eliminate duplicates 7 1.635 1.682 0.223 0.449 0.667 0.500 CB 0.513 ? Z: 6 4.430 1.779 0.308 0.291 1.000 0.800 CA 1.077 Z: 22 16.609 1.948 0.422 0.606 0.905 0.524 CB 1.307 18 residues pruned to eliminate duplicates Z: 7 12.596 2.138 0.483 0.691 0.833 0.667 CB 1.634 7 residues pruned to eliminate duplicates Z: 10 6.387 1.776 0.237 0.332 0.889 0.222 CA 1.309 5 residues pruned to eliminate duplicates Z: 8 2.726 1.486 0.120 0.472 0.571 0.429 N 1.114 Z: 18 19.368 2.012 0.668 0.853 0.941 0.471 CB 1.099 18 residues pruned to eliminate duplicates Z: 16 21.277 1.967 0.420 0.841 0.867 0.800 CA 1.692 16 residues pruned to eliminate duplicates Z: 6 13.400 2.054 0.578 0.768 1.000 0.400 CA 1.458 7 residues pruned to eliminate duplicates Z: 13 15.672 2.025 0.977 0.792 0.917 0.750 CA 0.954 13 residues pruned to eliminate duplicates Z: 10 8.885 1.909 0.493 0.428 0.778 0.333 CA 1.440 10 residues pruned to eliminate duplicates Z: 15 5.759 1.734 0.495 0.300 0.571 0.429 N 1.298 Z: 16 23.248 2.007 0.489 0.857 0.933 0.867 CA 1.586 16 residues pruned to eliminate duplicates Z: 7 3.290 1.362 0.800 0.548 0.833 0.500 CB 0.627 Z: 8 2.682 1.435 0.639 0.325 0.714 0.571 CB 0.731 Z: 11 14.403 2.073 0.408 0.612 1.000 0.900 CA 1.404 11 residues pruned to eliminate duplicates Z: 7 5.176 1.742 0.287 0.587 0.833 0.667 CA 1.040 7 residues pruned to eliminate duplicates Z: 17 6.678 1.664 0.403 0.331 0.875 0.438 CA 0.983 17 residues pruned to eliminate duplicates Z: 10 4.058 1.564 0.244 0.458 0.778 0.444 CA 0.933 10 residues pruned to eliminate duplicates Z: 6 5.969 1.671 0.316 0.702 0.800 0.800 N 1.263 Z: 27 15.309 2.038 0.360 0.396 0.808 0.615 CB 1.496 27 residues pruned to eliminate duplicates Z: 19 25.747 2.031 0.755 0.842 0.889 0.667 CB 1.427 19 residues pruned to eliminate duplicates Z: 54 24.911 2.138 0.384 0.363 0.849 0.453 CB 1.579 54 residues pruned to eliminate duplicates Z: 26 28.830 2.128 0.676 0.588 0.920 0.600 CB 1.617 26 residues pruned to eliminate duplicates Z: 29 14.288 2.094 0.336 0.360 0.786 0.393 CB 1.428 29 residues pruned to eliminate duplicates Z: 16 10.483 1.998 0.249 0.393 0.800 0.467 CA 1.519 14 residues pruned to eliminate duplicates Z: 14 14.248 2.067 0.364 0.505 0.923 0.462 CA 1.511 12 residues pruned to eliminate duplicates Z: 7 3.680 1.794 0.242 0.307 0.667 0.500 CA 1.254 Z: 6 2.695 1.457 0.578 0.476 0.600 0.400 CA 0.896 8 residues pruned to eliminate duplicates Z: 13 15.776 2.138 0.098 0.860 1.000 0.583 CB 1.425 19 residues pruned to eliminate duplicates Z: 35 24.605 2.038 0.467 0.567 0.853 0.676 CA 1.550 34 residues pruned to eliminate duplicates Z: 18 29.828 2.114 0.765 0.931 1.000 0.647 CA 1.354 18 residues pruned to eliminate duplicates Z: 21 20.359 2.005 0.630 0.882 0.950 0.600 CB 1.061 21 residues pruned to eliminate duplicates Z: 10 6.553 1.652 0.105 0.515 0.889 0.667 C 1.326 Z: 11 9.379 1.899 0.232 0.466 0.900 0.400 C 1.459 11 residues pruned to eliminate duplicates Z: 17 38.877 2.167 0.860 0.836 1.000 0.438 CB 1.804 17 residues pruned to eliminate duplicates Z: 13 7.449 1.918 0.003 0.474 1.000 0.333 CB 1.147 13 residues pruned to eliminate duplicates Z: 74 39.415 2.192 0.486 0.513 0.890 0.466 CB 1.569 74 residues pruned to eliminate duplicates Z: 13 10.608 1.968 0.436 0.511 0.750 0.500 CB 1.429 13 residues pruned to eliminate duplicates Z: 9 11.425 2.031 0.161 0.644 1.000 0.625 CA 1.497 9 residues pruned to eliminate duplicates Z: 7 2.001 1.411 0.272 0.289 0.833 0.333 CB 0.692 Z: 8 6.517 1.643 0.363 0.642 0.857 0.571 CA 1.124 7 residues pruned to eliminate duplicates Z: 14 8.514 1.928 0.245 0.469 0.769 0.538 CB 1.321 14 residues pruned to eliminate duplicates Z: 23 25.154 2.054 0.431 0.718 0.955 0.682 CA 1.569 23 residues pruned to eliminate duplicates 6 0.685 1.435 -0.305 0.298 0.600 0.600 CB 0.641 ? 6 1.604 1.429 0.754 0.529 0.600 0.600 CB 0.463 ? Z: 7 3.340 1.352 0.321 0.331 0.833 0.667 CB 1.103 Z: 18 7.661 1.709 0.467 0.232 0.765 0.294 CB 1.323 Z: 22 41.217 2.205 0.802 0.894 0.952 0.476 CB 1.706 22 residues pruned to eliminate duplicates Z: 7 5.330 1.758 0.177 0.519 0.833 0.833 CB 1.238 5 residues pruned to eliminate duplicates Z: 7 4.453 1.794 0.338 0.594 0.833 0.833 CB 0.831 Z: 6 4.587 1.655 0.405 0.546 1.000 0.600 CB 0.843 Z: 15 24.821 1.941 1.154 0.917 0.929 0.429 CA 1.206 15 residues pruned to eliminate duplicates Z: 9 14.877 2.216 0.084 0.848 1.000 1.000 CB 1.624 9 residues pruned to eliminate duplicates Z: 21 7.866 2.042 0.141 0.389 0.700 0.400 CB 1.213 21 residues pruned to eliminate duplicates Z: 13 10.723 1.938 0.374 0.579 0.917 0.667 CB 1.175 13 residues pruned to eliminate duplicates Z: 32 17.553 2.070 0.279 0.386 0.871 0.419 CB 1.543 32 residues pruned to eliminate duplicates Z: 7 2.706 1.442 0.552 0.641 0.667 0.500 CB 0.649 Z: 20 12.466 1.892 0.260 0.385 1.000 0.474 CB 1.356 20 residues pruned to eliminate duplicates Z: 7 6.652 2.043 -0.068 0.848 0.667 0.500 CA 1.586 7 residues pruned to eliminate duplicates Z: 6 4.088 1.972 0.057 0.709 0.800 0.800 CB 0.907 6 residues pruned to eliminate duplicates Z: 6 3.120 1.297 0.753 0.382 1.000 0.400 CB 0.696 7 1.713 1.765 -0.236 0.368 0.833 0.333 CB 0.717 ? Z: 8 4.344 1.766 0.301 0.470 1.000 0.429 CB 0.737 16 residues pruned to eliminate duplicates Z: 11 3.506 1.463 0.603 0.176 0.600 0.400 CA 1.165 Z: 6 3.051 1.655 0.166 0.309 0.800 0.600 CB 1.091 Z: 48 36.136 2.190 0.473 0.657 0.915 0.468 CB 1.543 48 residues pruned to eliminate duplicates Z: 14 10.213 1.902 0.250 0.619 0.923 0.615 CA 1.153 14 residues pruned to eliminate duplicates Z: 30 14.576 2.071 0.205 0.370 0.828 0.379 CB 1.507 30 residues pruned to eliminate duplicates Z: 11 13.000 2.010 0.370 0.602 1.000 0.800 CA 1.356 11 residues pruned to eliminate duplicates Z: 27 20.642 2.110 0.468 0.501 0.846 0.654 CA 1.543 35 residues pruned to eliminate duplicates Z: 12 14.610 2.045 0.381 0.621 0.909 0.364 CA 1.531 12 residues pruned to eliminate duplicates Z: 9 9.449 1.884 0.367 0.426 0.875 0.500 C 1.600 9 residues pruned to eliminate duplicates Z: 10 7.913 1.525 0.406 0.684 1.000 0.667 CA 1.039 10 residues pruned to eliminate duplicates Z: 13 17.147 2.070 0.537 0.852 0.917 0.667 CA 1.256 13 residues pruned to eliminate duplicates Z: 23 16.003 1.980 0.372 0.661 0.955 0.727 CA 1.133 23 residues pruned to eliminate duplicates Z: 40 16.211 2.009 0.281 0.383 0.795 0.436 CB 1.436 40 residues pruned to eliminate duplicates Z: 23 32.389 2.133 0.621 0.708 1.000 0.455 CA 1.652 23 residues pruned to eliminate duplicates Z: 14 11.974 1.947 0.309 0.637 0.846 0.462 CB 1.354 14 residues pruned to eliminate duplicates Z: 17 6.375 1.958 0.031 0.309 0.875 0.375 CB 1.115 19 residues pruned to eliminate duplicates Z: 6 5.749 1.710 0.199 0.491 1.000 0.400 CB 1.266 Z: 52 34.824 2.169 0.462 0.601 0.941 0.569 CB 1.485 52 residues pruned to eliminate duplicates Z: 12 5.717 1.681 0.051 0.416 0.818 0.545 CB 1.302 12 residues pruned to eliminate duplicates Z: 10 3.458 1.688 -0.035 0.258 0.667 0.444 CB 1.400 7 residues pruned to eliminate duplicates Z: 15 9.156 1.814 0.476 0.608 0.643 0.500 CB 1.283 15 residues pruned to eliminate duplicates Z: 6 3.625 1.691 0.092 0.574 0.600 0.400 CB 1.362 6 residues pruned to eliminate duplicates Z: 12 11.936 1.925 0.288 0.774 0.909 0.636 CB 1.254 12 residues pruned to eliminate duplicates Z: 10 6.028 1.804 0.363 0.557 0.778 0.556 CB 0.994 8 residues pruned to eliminate duplicates Z: 8 2.092 1.757 0.203 0.153 0.571 0.143 CB 1.003 Z: 6 6.251 1.556 0.263 0.555 1.000 0.800 CB 1.347 Z: 21 33.265 2.059 0.630 0.860 1.000 0.500 CB 1.629 21 residues pruned to eliminate duplicates Z: 8 9.409 2.182 -0.078 0.828 1.000 0.857 CA 1.332 8 residues pruned to eliminate duplicates Z: 6 4.271 1.597 0.779 0.453 0.600 0.400 CB 1.176 Z: 6 3.550 1.686 0.446 0.468 0.600 0.400 CB 1.121 Z: 13 17.401 2.197 0.255 0.574 1.000 0.750 N 1.696 13 residues pruned to eliminate duplicates Z: 8 6.323 1.752 0.167 0.414 0.857 0.429 C 1.493 Z: 8 10.440 1.930 0.489 0.717 1.000 0.857 N 1.128 8 residues pruned to eliminate duplicates Z: 6 3.129 1.566 0.020 0.636 0.800 0.800 CB 0.964 Z: 22 8.680 1.920 0.439 0.444 0.762 0.238 CB 0.953 22 residues pruned to eliminate duplicates Z: 31 13.109 2.047 0.226 0.333 0.833 0.433 CB 1.374 31 residues pruned to eliminate duplicates 6 1.086 1.305 0.451 0.620 0.600 0.600 O 0.381 ? Z: 24 24.670 2.098 0.497 0.640 0.870 0.565 CB 1.652 24 residues pruned to eliminate duplicates Z: 49 15.913 1.948 0.291 0.349 0.771 0.396 CB 1.396 49 residues pruned to eliminate duplicates Z: 42 19.372 2.042 0.269 0.432 0.878 0.561 CB 1.426 42 residues pruned to eliminate duplicates Z: 21 12.857 1.921 0.430 0.419 0.900 0.600 CB 1.265 21 residues pruned to eliminate duplicates Z: 18 14.457 2.012 0.451 0.519 0.941 0.529 CB 1.252 18 residues pruned to eliminate duplicates Z: 8 3.453 1.447 0.344 0.466 0.857 0.429 CA 0.810 Z: 13 5.781 1.621 0.484 0.443 0.917 0.500 CB 0.802 13 residues pruned to eliminate duplicates Z: 19 18.413 2.084 0.499 0.545 0.944 0.667 CA 1.407 19 residues pruned to eliminate duplicates Z: 11 5.872 1.859 -0.002 0.384 0.800 0.500 CA 1.416 10 residues pruned to eliminate duplicates Z: 7 4.662 1.472 0.539 0.522 0.667 0.500 CB 1.233 Z: 6 5.367 1.737 0.127 0.664 0.800 0.600 CB 1.316 Z: 9 11.065 1.879 0.851 0.854 0.750 0.750 CB 1.108 9 residues pruned to eliminate duplicates Z: 19 14.883 1.907 0.406 0.498 0.944 0.722 CA 1.388 19 residues pruned to eliminate duplicates Z: 25 15.301 2.113 0.307 0.420 0.833 0.583 CA 1.475 25 residues pruned to eliminate duplicates Z: 9 3.873 2.033 -0.494 0.757 0.750 0.625 CB 1.412 9 residues pruned to eliminate duplicates Z: 7 6.731 1.688 0.313 0.379 1.000 0.667 N 1.410 Z: 9 2.747 1.834 -0.036 0.298 0.625 0.500 CB 1.102 9 residues pruned to eliminate duplicates Z: 13 5.675 1.745 0.220 0.277 0.833 0.500 CB 1.189 13 residues pruned to eliminate duplicates Z: 16 26.376 2.141 0.620 0.812 0.867 0.733 CB 1.726 16 residues pruned to eliminate duplicates Z: 39 35.828 2.092 0.456 0.675 0.974 0.553 CA 1.667 40 residues pruned to eliminate duplicates Z: 7 5.617 1.471 0.473 0.522 0.833 0.833 N 1.242 7 residues pruned to eliminate duplicates Z: 15 8.750 1.815 0.412 0.429 0.929 0.571 CB 1.059 15 residues pruned to eliminate duplicates Z: 48 32.185 1.994 0.642 0.561 0.894 0.489 CB 1.513 49 residues pruned to eliminate duplicates Z: 28 14.937 2.049 0.355 0.361 0.852 0.481 CB 1.410 28 residues pruned to eliminate duplicates Z: 15 12.211 1.749 0.709 0.640 0.643 0.286 C 1.490 15 residues pruned to eliminate duplicates Z: 6 2.228 1.423 0.349 0.353 0.800 0.400 CB 0.760 Z: 22 13.653 1.989 0.428 0.373 0.810 0.524 CB 1.485 22 residues pruned to eliminate duplicates Z: 6 4.005 1.737 0.682 0.241 0.600 0.400 C 1.379 Z: 7 2.271 1.510 0.590 0.385 0.667 0.500 CB 0.655 Z: 11 5.476 1.737 0.213 0.451 0.800 0.500 CB 1.080 11 residues pruned to eliminate duplicates Z: 54 33.140 1.958 0.588 0.523 0.906 0.509 CA 1.579 58 residues pruned to eliminate duplicates Z: 6 4.667 1.681 0.225 0.293 1.000 0.400 CB 1.278 6 1.781 1.559 -0.083 0.593 0.800 0.200 CB 0.637 ? Z: 11 10.118 1.836 0.449 0.705 0.800 0.700 CB 1.247 12 residues pruned to eliminate duplicates Z: 7 5.557 1.501 0.914 0.511 0.833 0.333 CB 0.937 Z: 6 2.466 1.452 0.563 0.562 0.600 0.400 C 0.763 6 residues pruned to eliminate duplicates Z: 14 5.125 1.564 0.431 0.283 0.692 0.308 CB 1.172 Z: 8 6.456 1.554 0.711 0.578 0.714 0.429 CB 1.192 Z: 7 5.995 1.602 0.494 0.553 1.000 0.500 CB 0.971 Z: 14 5.687 1.706 0.269 0.281 0.846 0.385 CB 1.103 14 residues pruned to eliminate duplicates Z: 9 8.616 1.839 0.129 0.685 0.875 0.625 CA 1.416 9 residues pruned to eliminate duplicates Z: 24 26.357 2.071 0.330 0.812 0.957 0.652 CB 1.590 24 residues pruned to eliminate duplicates 6 1.999 1.505 0.136 0.296 0.800 0.600 CB 0.821 ? Z: 11 6.186 1.738 0.218 0.440 0.900 0.600 CB 1.092 11 residues pruned to eliminate duplicates Z: 8 2.561 1.617 -0.123 0.401 0.857 0.571 CB 0.884 Z: 18 9.849 1.988 0.009 0.414 0.882 0.706 CB 1.476 18 residues pruned to eliminate duplicates Z: 11 9.723 1.847 0.482 0.654 0.900 0.600 CA 1.081 10 residues pruned to eliminate duplicates Z: 10 3.137 1.321 1.010 0.270 0.778 0.444 N 0.658 Z: 6 2.031 1.657 0.100 0.466 0.800 0.400 CB 0.645 4 residues pruned to eliminate duplicates Z: 7 2.158 1.581 0.204 0.297 0.667 0.333 CB 0.870 Z: 42 25.604 2.019 0.637 0.607 0.902 0.634 CA 1.211 42 residues pruned to eliminate duplicates Z: 10 6.684 2.220 -0.093 0.811 0.778 0.667 CB 1.085 10 residues pruned to eliminate duplicates Z: 22 25.935 1.956 0.355 0.906 1.000 0.810 CA 1.519 22 residues pruned to eliminate duplicates Z: 11 20.362 2.077 0.584 0.789 1.000 0.900 CA 1.518 11 residues pruned to eliminate duplicates Z: 6 2.099 1.288 0.017 0.451 0.800 0.600 O 0.942 6 residues pruned to eliminate duplicates Z: 34 20.454 1.937 0.663 0.566 0.848 0.394 CA 1.222 34 residues pruned to eliminate duplicates Z: 10 4.470 1.741 0.114 0.374 0.889 0.333 CB 0.989 10 residues pruned to eliminate duplicates Z: 7 10.234 1.750 0.802 0.544 1.000 1.000 N 1.269 7 residues pruned to eliminate duplicates Z: 6 2.231 1.353 0.159 0.587 0.800 0.600 N 0.732 Z: 8 4.292 1.641 0.657 0.343 0.857 0.429 CB 0.826 8 residues pruned to eliminate duplicates Z: 8 2.377 1.357 0.213 0.383 0.857 0.429 CA 0.721 Z: 22 10.442 1.857 0.211 0.435 0.905 0.571 CB 1.198 23 residues pruned to eliminate duplicates Z: 7 3.071 1.397 0.537 0.306 0.667 0.500 C 1.086 Z: 7 10.753 1.652 0.856 0.756 0.833 0.833 CB 1.368 6 residues pruned to eliminate duplicates Z: 27 14.782 2.050 0.481 0.341 0.808 0.462 CA 1.407 27 residues pruned to eliminate duplicates Z: 6 2.482 1.198 0.123 0.553 0.800 0.600 C 0.979 Z: 20 14.298 1.923 0.310 0.652 0.947 0.474 CB 1.193 18 residues pruned to eliminate duplicates 6 1.758 1.241 0.366 0.413 0.800 0.400 C 0.635 ? Z: 6 6.810 1.905 0.584 0.595 0.800 0.600 CA 1.152 6 residues pruned to eliminate duplicates Z: 7 2.189 1.430 0.132 0.230 0.833 0.500 CB 0.908 Z: 8 13.841 2.020 0.714 0.661 1.000 0.714 CA 1.301 8 residues pruned to eliminate duplicates Z: 18 15.906 1.980 0.285 0.623 0.941 0.471 CA 1.435 17 residues pruned to eliminate duplicates Z: 32 19.812 2.010 0.605 0.582 0.774 0.452 CB 1.316 24 residues pruned to eliminate duplicates Z: 7 4.234 1.565 0.332 0.474 0.833 0.500 CB 1.022 Z: 7 4.102 1.688 0.162 0.630 0.833 0.833 N 0.907 Z: 6 3.147 1.346 0.892 0.385 0.600 0.400 C 1.041 Z: 9 2.636 1.741 0.220 0.078 0.625 0.375 CB 1.214 6 1.174 1.008 0.099 0.325 0.800 0.200 CA 0.718 ? 6 1.900 1.288 0.212 0.295 0.800 0.600 CB 0.856 ? Z: 14 9.555 1.931 0.367 0.444 0.846 0.462 CB 1.257 14 residues pruned to eliminate duplicates Z: 10 5.629 1.811 0.028 0.497 0.778 0.556 CA 1.300 10 residues pruned to eliminate duplicates Z: 7 2.088 1.270 0.384 0.239 0.667 0.167 N 0.986 Z: 8 2.358 1.228 0.128 0.658 0.857 0.429 CA 0.648 8 residues pruned to eliminate duplicates Z: 6 2.334 1.438 0.275 0.291 0.800 0.800 C 0.899 Z: 10 3.333 1.527 0.242 0.305 0.778 0.444 N 0.936 Z: 10 6.088 1.541 0.464 0.495 0.778 0.222 CB 1.161 3 residues pruned to eliminate duplicates Z: 10 3.708 1.542 0.192 0.358 0.667 0.222 CB 1.176 10 residues pruned to eliminate duplicates Z: 15 8.706 1.664 0.312 0.498 0.857 0.643 CB 1.246 14 residues pruned to eliminate duplicates Z: 19 15.825 1.878 0.466 0.647 1.000 0.778 CA 1.182 19 residues pruned to eliminate duplicates Z: 23 17.059 1.935 0.553 0.526 0.909 0.682 CB 1.298 23 residues pruned to eliminate duplicates Z: 21 10.620 1.935 0.362 0.325 0.850 0.450 CB 1.285 21 residues pruned to eliminate duplicates Z: 8 2.059 1.261 0.643 0.229 0.714 0.714 CA 0.721 Z: 8 9.214 1.899 0.114 0.865 0.857 0.571 CA 1.408 8 residues pruned to eliminate duplicates Z: 10 12.063 1.984 0.371 0.772 0.889 0.778 CB 1.308 10 residues pruned to eliminate duplicates Z: 15 17.504 2.006 0.347 0.600 1.000 0.786 CA 1.574 15 residues pruned to eliminate duplicates Z: 24 21.167 2.203 0.457 0.547 0.957 0.478 CB 1.372 24 residues pruned to eliminate duplicates Z: 15 10.672 1.875 0.523 0.460 0.857 0.571 CA 1.213 15 residues pruned to eliminate duplicates Z: 20 10.470 1.780 0.254 0.421 0.947 0.526 CB 1.234 20 residues pruned to eliminate duplicates Z: 6 2.017 1.563 0.871 0.453 1.000 0.600 CB 0.324 8 1.919 1.392 0.030 0.409 0.714 0.429 N 0.779 ? Z: 18 10.555 1.881 0.236 0.564 0.765 0.471 CA 1.354 18 residues pruned to eliminate duplicates 6 1.231 1.166 0.209 0.300 0.800 0.800 CB 0.610 ? Z: 21 11.118 1.808 0.400 0.347 0.800 0.450 CB 1.450 24 residues pruned to eliminate duplicates Z: 22 25.018 1.957 0.471 0.895 0.905 0.476 CB 1.503 22 residues pruned to eliminate duplicates Z: 10 9.758 1.829 0.157 0.839 0.778 0.556 CA 1.476 10 residues pruned to eliminate duplicates Z: 21 21.708 2.054 0.975 0.730 0.900 0.450 CB 1.081 21 residues pruned to eliminate duplicates Z: 7 4.169 1.496 0.070 0.492 1.000 0.667 CB 1.071 6 1.166 1.087 0.274 0.327 0.600 0.600 N 0.759 ? Z: 6 4.426 2.020 0.095 0.430 1.000 0.600 CB 0.962 6 residues pruned to eliminate duplicates Z: 10 2.091 1.480 -0.057 0.328 0.667 0.333 CB 0.904 Z: 8 3.519 1.745 0.637 0.236 0.714 0.429 CB 0.885 7 1.768 1.004 0.644 0.247 0.833 0.500 CA 0.702 ? Z: 13 16.044 2.039 0.551 0.558 0.917 0.583 CB 1.510 13 residues pruned to eliminate duplicates Z: 13 7.977 1.666 0.773 0.487 0.917 0.583 CB 0.862 15 residues pruned to eliminate duplicates Z: 8 6.556 1.780 0.128 0.881 0.857 0.857 CA 1.043 8 residues pruned to eliminate duplicates Z: 10 4.697 1.653 0.181 0.250 0.778 0.333 N 1.375 10 residues pruned to eliminate duplicates Z: 12 7.903 1.957 0.222 0.444 0.727 0.545 N 1.451 10 residues pruned to eliminate duplicates 6 1.475 1.310 0.494 0.277 0.600 0.400 CA 0.723 ? Z: 9 2.359 1.543 -0.089 0.238 0.750 0.500 CB 1.072 Z: 8 3.615 1.470 0.589 0.237 0.857 0.429 CB 0.926 Z: 11 4.168 1.523 0.205 0.425 0.900 0.700 CB 0.863 11 residues pruned to eliminate duplicates Z: 9 2.819 1.344 0.235 0.371 0.875 0.625 C 0.788 Using tripeptides from previous cycle as seeds Z: 14 8.597 1.986 0.228 0.527 0.846 0.692 CB 1.125 14 residues pruned to eliminate duplicates Z: 13 9.971 1.931 0.247 0.506 0.917 0.667 CB 1.296 13 residues pruned to eliminate duplicates Z: 13 8.871 1.950 0.370 0.445 0.917 0.667 CB 1.106 13 residues pruned to eliminate duplicates Z: 16 8.092 1.745 0.532 0.388 0.800 0.467 CB 1.100 15 residues pruned to eliminate duplicates Z: 15 8.360 1.934 0.274 0.476 0.786 0.643 CB 1.183 15 residues pruned to eliminate duplicates Z: 7 3.460 1.965 0.237 0.243 0.500 0.500 CB 1.564 7 residues pruned to eliminate duplicates Z: 8 3.196 1.834 0.177 0.203 0.714 0.429 CB 1.115 8 residues pruned to eliminate duplicates Z: 8 5.316 1.814 0.208 0.202 0.857 0.571 CB 1.523 9 residues pruned to eliminate duplicates Z: 8 3.452 1.856 0.033 0.189 0.714 0.429 CB 1.384 8 residues pruned to eliminate duplicates Z: 9 3.032 1.651 0.078 0.161 0.875 0.250 CB 1.041 9 residues pruned to eliminate duplicates Z: 20 18.474 2.003 0.415 0.624 0.895 0.632 CA 1.487 20 residues pruned to eliminate duplicates Z: 22 16.559 1.888 0.458 0.573 0.905 0.524 CB 1.352 22 residues pruned to eliminate duplicates Z: 18 18.779 2.040 0.454 0.665 0.882 0.529 CA 1.494 23 residues pruned to eliminate duplicates Z: 14 12.599 1.896 0.486 0.636 0.846 0.462 CA 1.290 14 residues pruned to eliminate duplicates Z: 20 18.181 1.906 0.486 0.603 0.895 0.526 CB 1.492 20 residues pruned to eliminate duplicates Z: 18 23.406 2.049 0.600 0.669 0.941 0.471 CA 1.574 18 residues pruned to eliminate duplicates Z: 10 17.502 1.919 0.437 0.853 1.000 0.778 CA 1.563 10 residues pruned to eliminate duplicates Z: 10 17.555 1.942 0.564 0.860 1.000 0.444 CA 1.417 10 residues pruned to eliminate duplicates Z: 10 17.999 1.938 0.413 0.821 1.000 0.556 CA 1.658 10 residues pruned to eliminate duplicates Z: 18 19.228 2.066 0.412 0.569 0.941 0.412 CB 1.589 18 residues pruned to eliminate duplicates Z: 20 18.774 1.908 0.499 0.579 0.947 0.368 CB 1.472 20 residues pruned to eliminate duplicates Z: 15 15.533 1.834 0.603 0.622 0.857 0.571 CA 1.469 14 residues pruned to eliminate duplicates Z: 10 13.500 1.935 0.314 0.829 0.889 0.667 CA 1.498 10 residues pruned to eliminate duplicates Z: 12 8.103 1.829 0.449 0.457 0.727 0.455 N 1.324 12 residues pruned to eliminate duplicates Z: 10 9.947 1.971 0.522 0.452 0.667 0.444 N 1.741 21 residues pruned to eliminate duplicates Z: 9 7.718 1.888 0.363 0.381 0.750 0.500 N 1.605 9 residues pruned to eliminate duplicates Z: 10 8.050 2.000 0.249 0.332 0.778 0.444 CB 1.661 10 residues pruned to eliminate duplicates Z: 9 8.065 2.043 0.184 0.411 0.750 0.500 C 1.726 9 residues pruned to eliminate duplicates Z: 11 14.089 2.132 0.310 0.551 0.900 0.600 CA 1.686 12 residues pruned to eliminate duplicates Z: 10 10.094 1.559 0.344 0.843 1.000 0.444 CA 1.196 10 residues pruned to eliminate duplicates Z: 9 7.494 1.736 0.369 0.693 0.875 0.375 CA 1.068 9 residues pruned to eliminate duplicates Z: 12 13.329 2.020 0.311 0.597 0.909 0.545 CA 1.521 12 residues pruned to eliminate duplicates Z: 16 12.040 2.015 0.412 0.313 0.867 0.400 CB 1.551 17 residues pruned to eliminate duplicates Z: 10 6.153 1.796 0.277 0.542 0.889 0.444 CA 0.966 10 residues pruned to eliminate duplicates Z: 12 6.710 1.891 0.456 0.381 0.636 0.455 CA 1.310 12 residues pruned to eliminate duplicates Z: 13 8.359 1.878 0.389 0.330 0.833 0.250 CB 1.338 13 residues pruned to eliminate duplicates Z: 20 10.473 1.988 0.086 0.447 0.789 0.421 CB 1.488 19 residues pruned to eliminate duplicates Z: 8 4.423 1.889 0.039 0.412 0.857 0.429 CB 1.089 8 residues pruned to eliminate duplicates Z: 20 4.821 1.898 0.199 0.222 0.737 0.368 CB 0.913 20 residues pruned to eliminate duplicates Z: 20 6.077 1.897 0.430 0.330 0.737 0.368 CB 0.840 20 residues pruned to eliminate duplicates Z: 22 5.868 1.855 0.110 0.260 0.810 0.429 CB 1.011 22 residues pruned to eliminate duplicates Z: 22 6.638 1.793 0.276 0.332 0.762 0.381 CB 1.000 21 residues pruned to eliminate duplicates Z: 6 6.073 1.826 0.331 0.458 1.000 0.600 CB 1.166 Z: 8 4.306 1.411 -0.049 0.509 1.000 0.571 CA 1.202 8 residues pruned to eliminate duplicates Z: 8 3.633 1.727 0.264 0.175 0.857 0.571 CB 1.088 8 residues pruned to eliminate duplicates Z: 9 5.117 1.834 0.056 0.175 0.875 0.500 CB 1.582 14 residues pruned to eliminate duplicates Z: 6 4.025 1.694 0.810 0.235 0.600 0.000 O 1.331 6 residues pruned to eliminate duplicates Z: 34 20.782 1.967 0.544 0.513 0.939 0.636 CA 1.251 34 residues pruned to eliminate duplicates Z: 29 17.316 2.011 0.458 0.411 0.964 0.750 CA 1.271 31 residues pruned to eliminate duplicates Z: 6 6.471 1.623 0.792 0.471 1.000 0.600 CB 1.025 6 residues pruned to eliminate duplicates Z: 19 11.598 1.985 0.245 0.462 0.944 0.611 CB 1.218 19 residues pruned to eliminate duplicates Z: 15 11.388 1.969 0.294 0.381 0.929 0.571 CB 1.460 15 residues pruned to eliminate duplicates Z: 18 13.303 1.920 0.259 0.478 0.941 0.647 CB 1.450 18 residues pruned to eliminate duplicates Z: 40 17.328 1.972 0.284 0.479 0.923 0.564 CA 1.213 40 residues pruned to eliminate duplicates Z: 35 19.171 1.992 0.354 0.566 0.912 0.618 CA 1.254 35 residues pruned to eliminate duplicates Z: 41 23.591 2.035 0.548 0.554 0.975 0.650 CA 1.152 41 residues pruned to eliminate duplicates Z: 22 13.832 1.998 0.365 0.454 0.905 0.667 CA 1.282 22 residues pruned to eliminate duplicates Z: 56 29.582 2.041 0.434 0.608 0.927 0.673 CA 1.327 56 residues pruned to eliminate duplicates Z: 23 15.221 2.022 0.327 0.435 1.000 0.773 CB 1.294 23 residues pruned to eliminate duplicates Z: 38 27.012 2.064 0.565 0.638 0.946 0.757 CA 1.277 38 residues pruned to eliminate duplicates Z: 47 24.293 2.079 0.466 0.553 0.913 0.587 CA 1.223 47 residues pruned to eliminate duplicates Z: 21 16.106 2.131 0.551 0.513 1.000 0.650 CA 1.075 21 residues pruned to eliminate duplicates Z: 39 20.665 1.985 0.438 0.491 0.947 0.526 CB 1.251 39 residues pruned to eliminate duplicates Z: 24 21.124 2.075 0.562 0.674 0.913 0.478 CA 1.267 24 residues pruned to eliminate duplicates Z: 55 26.612 2.055 0.446 0.517 0.944 0.426 CB 1.268 55 residues pruned to eliminate duplicates Z: 25 20.694 2.037 0.618 0.638 0.958 0.500 CA 1.176 25 residues pruned to eliminate duplicates Z: 22 21.908 2.083 0.734 0.729 0.905 0.429 CA 1.190 22 residues pruned to eliminate duplicates Z: 10 11.300 2.121 0.750 0.740 0.778 0.333 CA 1.052 10 residues pruned to eliminate duplicates Z: 13 15.111 2.083 0.608 0.688 0.833 0.250 CA 1.316 13 residues pruned to eliminate duplicates Z: 39 28.009 2.105 0.499 0.657 0.895 0.395 CB 1.391 39 residues pruned to eliminate duplicates Z: 39 25.017 2.119 0.422 0.628 0.895 0.421 CA 1.335 39 residues pruned to eliminate duplicates Z: 33 26.129 2.059 0.685 0.644 0.906 0.438 CA 1.284 33 residues pruned to eliminate duplicates Z: 40 30.026 2.115 0.496 0.644 0.949 0.359 CA 1.399 40 residues pruned to eliminate duplicates Z: 18 26.860 2.160 0.808 0.844 0.882 0.235 CA 1.407 18 residues pruned to eliminate duplicates Z: 24 24.819 2.082 0.772 0.691 0.957 0.565 CA 1.232 24 residues pruned to eliminate duplicates Z: 24 17.915 2.073 0.598 0.644 0.870 0.261 CA 1.134 24 residues pruned to eliminate duplicates Z: 19 20.618 2.135 0.833 0.759 0.778 0.167 CA 1.268 19 residues pruned to eliminate duplicates Z: 22 24.467 2.084 0.802 0.715 0.905 0.333 CA 1.293 22 residues pruned to eliminate duplicates Z: 25 23.260 2.070 0.744 0.659 0.917 0.417 CA 1.239 25 residues pruned to eliminate duplicates Z: 22 23.869 2.092 0.720 0.745 0.905 0.429 CA 1.285 22 residues pruned to eliminate duplicates Z: 21 26.867 2.135 0.817 0.744 0.950 0.200 CA 1.310 21 residues pruned to eliminate duplicates Z: 42 28.774 2.057 0.631 0.565 0.902 0.439 CA 1.394 39 residues pruned to eliminate duplicates Z: 12 11.452 2.087 0.311 0.751 0.909 0.636 CA 1.109 12 residues pruned to eliminate duplicates Z: 39 26.658 2.082 0.490 0.631 0.895 0.447 CA 1.378 39 residues pruned to eliminate duplicates Z: 16 15.835 2.132 0.278 0.642 1.000 0.467 CA 1.315 16 residues pruned to eliminate duplicates Z: 20 11.377 1.999 0.103 0.535 0.895 0.368 CB 1.277 20 residues pruned to eliminate duplicates Z: 36 28.306 2.135 0.548 0.671 0.886 0.371 CA 1.395 36 residues pruned to eliminate duplicates Z: 10 6.309 1.988 0.272 0.606 0.778 0.222 CA 0.967 10 residues pruned to eliminate duplicates Z: 25 17.682 2.064 0.327 0.484 0.875 0.500 CB 1.530 25 residues pruned to eliminate duplicates Z: 14 11.058 2.038 0.309 0.470 0.846 0.385 CA 1.401 14 residues pruned to eliminate duplicates Z: 14 8.058 1.935 0.303 0.366 0.846 0.154 CB 1.210 14 residues pruned to eliminate duplicates Z: 22 10.068 1.863 0.345 0.458 0.762 0.286 CB 1.202 22 residues pruned to eliminate duplicates Z: 18 14.151 2.054 0.230 0.565 0.941 0.353 CB 1.355 18 residues pruned to eliminate duplicates Z: 18 14.244 2.075 0.239 0.547 0.941 0.294 CB 1.364 18 residues pruned to eliminate duplicates Z: 12 8.432 2.062 0.271 0.315 0.909 0.273 CB 1.308 12 residues pruned to eliminate duplicates Z: 13 6.968 2.009 0.225 0.288 0.833 0.417 CB 1.246 13 residues pruned to eliminate duplicates Z: 16 9.619 1.925 0.298 0.388 0.933 0.400 CB 1.199 16 residues pruned to eliminate duplicates Z: 44 27.006 2.028 0.531 0.585 0.860 0.326 CB 1.421 44 residues pruned to eliminate duplicates Z: 19 13.837 2.029 0.168 0.504 0.944 0.389 CB 1.450 19 residues pruned to eliminate duplicates Z: 7 5.492 1.821 0.489 0.226 0.833 0.500 CA 1.367 7 residues pruned to eliminate duplicates Z: 8 9.208 1.911 0.511 0.404 1.000 0.429 N 1.333 8 residues pruned to eliminate duplicates Z: 6 5.278 1.991 0.299 0.367 0.800 0.400 N 1.316 6 residues pruned to eliminate duplicates Z: 59 29.423 1.936 0.496 0.472 0.897 0.448 CA 1.531 59 residues pruned to eliminate duplicates Z: 29 17.646 2.004 0.446 0.327 0.964 0.500 CA 1.444 29 residues pruned to eliminate duplicates Z: 36 17.185 1.968 0.466 0.443 0.829 0.514 CA 1.289 36 residues pruned to eliminate duplicates Z: 51 21.012 1.924 0.523 0.337 0.840 0.480 CA 1.443 51 residues pruned to eliminate duplicates Z: 35 24.338 2.045 0.369 0.566 0.912 0.618 CA 1.533 35 residues pruned to eliminate duplicates Z: 32 25.064 1.980 0.533 0.479 0.968 0.548 CA 1.565 32 residues pruned to eliminate duplicates Z: 21 17.261 1.995 0.607 0.409 0.950 0.600 CA 1.394 21 residues pruned to eliminate duplicates Z: 19 11.691 1.887 0.543 0.373 0.944 0.500 CA 1.148 19 residues pruned to eliminate duplicates Z: 37 27.358 2.025 0.483 0.558 0.972 0.639 CA 1.476 37 residues pruned to eliminate duplicates Z: 31 25.761 2.075 0.580 0.524 0.933 0.633 CA 1.502 31 residues pruned to eliminate duplicates Z: 41 28.139 2.014 0.601 0.524 0.900 0.550 CA 1.498 41 residues pruned to eliminate duplicates Z: 25 10.883 1.904 0.360 0.337 0.917 0.542 CA 1.119 25 residues pruned to eliminate duplicates Z: 27 27.417 2.095 0.566 0.673 0.962 0.731 CA 1.453 27 residues pruned to eliminate duplicates Z: 17 13.646 2.083 0.434 0.404 0.938 0.625 CA 1.347 17 residues pruned to eliminate duplicates Z: 29 20.915 2.031 0.463 0.598 0.857 0.679 CA 1.413 29 residues pruned to eliminate duplicates Z: 17 12.629 2.008 0.358 0.419 0.938 0.625 CA 1.344 17 residues pruned to eliminate duplicates Z: 12 17.971 2.133 0.457 0.624 0.909 0.727 CA 1.706 12 residues pruned to eliminate duplicates Z: 32 24.212 2.005 0.515 0.630 0.903 0.806 CA 1.403 32 residues pruned to eliminate duplicates Z: 24 20.787 2.082 0.245 0.656 0.957 0.783 CA 1.512 24 residues pruned to eliminate duplicates Z: 75 33.237 2.020 0.462 0.570 0.892 0.486 CA 1.371 75 residues pruned to eliminate duplicates Z: 27 22.582 2.114 0.599 0.525 0.885 0.731 CA 1.445 27 residues pruned to eliminate duplicates Z: 29 26.406 2.084 0.419 0.652 0.929 0.750 CA 1.578 29 residues pruned to eliminate duplicates Z: 26 27.592 2.045 0.550 0.723 0.960 0.640 CA 1.484 26 residues pruned to eliminate duplicates Z: 46 31.055 2.014 0.503 0.574 0.889 0.556 CA 1.603 46 residues pruned to eliminate duplicates Z: 34 29.006 2.066 0.518 0.613 0.939 0.576 CA 1.540 34 residues pruned to eliminate duplicates Z: 33 31.635 2.109 0.658 0.614 0.938 0.656 CA 1.532 33 residues pruned to eliminate duplicates Z: 49 26.933 1.923 0.493 0.542 0.875 0.479 CB 1.484 49 residues pruned to eliminate duplicates Z: 45 26.502 1.962 0.649 0.494 0.818 0.477 CB 1.519 45 residues pruned to eliminate duplicates Z: 51 29.010 1.999 0.551 0.527 0.840 0.420 CB 1.534 53 residues pruned to eliminate duplicates Z: 21 32.179 1.985 0.767 0.850 0.900 0.450 N 1.688 21 residues pruned to eliminate duplicates Z: 27 19.702 1.898 0.574 0.488 0.846 0.308 CB 1.547 26 residues pruned to eliminate duplicates Z: 10 7.735 1.568 0.632 0.781 0.778 0.556 CA 1.011 10 residues pruned to eliminate duplicates Z: 54 30.145 1.994 0.483 0.501 0.868 0.472 CB 1.612 54 residues pruned to eliminate duplicates Z: 16 19.795 1.919 0.646 0.894 0.733 0.267 CA 1.583 16 residues pruned to eliminate duplicates Z: 32 20.970 1.899 0.714 0.529 0.742 0.323 CB 1.515 32 residues pruned to eliminate duplicates Z: 52 28.235 1.947 0.533 0.512 0.882 0.510 CB 1.483 52 residues pruned to eliminate duplicates Z: 29 20.213 1.854 0.606 0.451 0.893 0.250 CB 1.511 27 residues pruned to eliminate duplicates Z: 6 3.074 1.742 0.538 0.230 0.800 0.000 CA 0.879 6 residues pruned to eliminate duplicates Z: 66 24.600 2.107 0.432 0.360 0.815 0.415 CB 1.442 67 residues pruned to eliminate duplicates Z: 6 3.293 1.377 0.597 0.293 0.800 0.400 CA 1.056 6 residues pruned to eliminate duplicates Z: 60 21.768 2.150 0.376 0.320 0.814 0.441 CB 1.435 60 residues pruned to eliminate duplicates Z: 96 39.193 2.189 0.535 0.466 0.832 0.484 CB 1.490 96 residues pruned to eliminate duplicates Z: 38 21.564 2.147 0.436 0.315 0.892 0.486 CB 1.582 38 residues pruned to eliminate duplicates Z: 87 39.350 2.197 0.531 0.463 0.849 0.500 CB 1.543 87 residues pruned to eliminate duplicates Z: 30 14.096 2.094 0.217 0.397 0.828 0.345 CB 1.384 30 residues pruned to eliminate duplicates Z: 38 21.510 2.192 0.407 0.317 0.892 0.459 CA 1.574 44 residues pruned to eliminate duplicates Z: 27 17.610 2.153 0.407 0.414 0.885 0.423 CB 1.410 27 residues pruned to eliminate duplicates Z: 28 14.873 2.163 0.318 0.401 0.778 0.519 CB 1.432 28 residues pruned to eliminate duplicates Z: 83 37.629 2.228 0.471 0.499 0.829 0.488 CB 1.530 83 residues pruned to eliminate duplicates Z: 15 9.024 1.994 0.371 0.283 0.857 0.214 CB 1.315 15 residues pruned to eliminate duplicates Z: 29 15.256 2.157 0.442 0.334 0.821 0.321 CB 1.353 29 residues pruned to eliminate duplicates Z: 23 14.944 2.089 0.488 0.335 0.864 0.455 CB 1.421 23 residues pruned to eliminate duplicates Z: 36 15.102 2.042 0.505 0.326 0.743 0.400 CB 1.354 36 residues pruned to eliminate duplicates Z: 27 15.183 2.163 0.426 0.374 0.808 0.462 CB 1.367 27 residues pruned to eliminate duplicates Z: 29 13.912 2.151 0.323 0.366 0.786 0.393 CB 1.358 29 residues pruned to eliminate duplicates Z: 51 20.285 2.007 0.322 0.376 0.880 0.460 CB 1.404 51 residues pruned to eliminate duplicates Z: 23 14.969 2.158 0.370 0.389 0.818 0.364 CB 1.484 23 residues pruned to eliminate duplicates Z: 107 38.304 2.185 0.461 0.433 0.840 0.453 CB 1.488 107 residues pruned to eliminate duplicates Z: 34 16.162 2.102 0.439 0.342 0.788 0.424 CB 1.402 34 residues pruned to eliminate duplicates Z: 56 24.206 2.148 0.404 0.329 0.836 0.436 CB 1.560 63 residues pruned to eliminate duplicates Z: 8 5.684 1.514 0.489 0.562 0.857 0.857 N 1.047 8 residues pruned to eliminate duplicates Z: 44 18.811 1.961 0.433 0.371 0.814 0.465 CB 1.440 53 residues pruned to eliminate duplicates Z: 6 2.713 1.631 0.175 0.459 0.800 0.800 CB 0.825 6 residues pruned to eliminate duplicates Z: 56 20.232 2.132 0.314 0.318 0.800 0.382 CB 1.487 56 residues pruned to eliminate duplicates Z: 22 13.072 2.042 0.503 0.312 0.762 0.429 CB 1.503 22 residues pruned to eliminate duplicates Z: 64 25.028 2.137 0.424 0.328 0.825 0.492 CB 1.515 64 residues pruned to eliminate duplicates Z: 60 26.615 2.097 0.424 0.349 0.881 0.390 CB 1.551 66 residues pruned to eliminate duplicates Z: 6 4.632 1.404 0.684 0.489 0.800 0.200 CA 1.107 6 residues pruned to eliminate duplicates Z: 107 43.717 2.194 0.381 0.503 0.915 0.538 CB 1.528 107 residues pruned to eliminate duplicates Z: 29 11.373 1.939 0.202 0.381 0.750 0.464 CB 1.395 23 residues pruned to eliminate duplicates Z: 22 38.707 2.351 0.440 0.846 1.000 0.857 CB 1.853 22 residues pruned to eliminate duplicates Z: 33 36.510 2.273 0.436 0.732 0.969 0.750 CB 1.657 33 residues pruned to eliminate duplicates Z: 34 39.642 2.296 0.501 0.732 0.939 0.848 CB 1.731 34 residues pruned to eliminate duplicates Z: 43 38.438 2.207 0.376 0.708 0.976 0.571 CA 1.656 43 residues pruned to eliminate duplicates Z: 35 36.582 2.278 0.386 0.698 0.971 0.559 CB 1.709 35 residues pruned to eliminate duplicates Z: 46 30.526 2.199 0.435 0.629 0.867 0.600 CB 1.475 46 residues pruned to eliminate duplicates Z: 30 33.493 2.163 0.530 0.738 1.000 0.724 CA 1.518 30 residues pruned to eliminate duplicates Z: 46 36.572 2.212 0.432 0.675 0.933 0.644 CB 1.569 46 residues pruned to eliminate duplicates Z: 47 33.603 2.223 0.246 0.662 0.957 0.609 CB 1.610 47 residues pruned to eliminate duplicates Z: 42 39.351 2.165 0.507 0.677 0.976 0.585 CB 1.640 42 residues pruned to eliminate duplicates Z: 102 41.410 2.191 0.363 0.494 0.891 0.475 CB 1.558 102 residues pruned to eliminate duplicates Z: 41 36.821 2.247 0.332 0.653 0.975 0.550 CB 1.730 41 residues pruned to eliminate duplicates Z: 107 40.188 2.176 0.424 0.481 0.849 0.547 CB 1.512 107 residues pruned to eliminate duplicates Z: 49 38.234 2.210 0.484 0.649 0.958 0.583 CB 1.527 49 residues pruned to eliminate duplicates Z: 49 35.104 2.215 0.437 0.617 0.917 0.562 CB 1.554 49 residues pruned to eliminate duplicates Z: 42 37.031 2.230 0.479 0.666 0.927 0.610 CB 1.622 42 residues pruned to eliminate duplicates Z: 43 36.153 2.245 0.291 0.687 0.952 0.595 CB 1.703 43 residues pruned to eliminate duplicates Z: 48 40.968 2.253 0.448 0.690 0.979 0.617 CB 1.573 48 residues pruned to eliminate duplicates Z: 40 29.496 2.154 0.524 0.590 0.846 0.487 CB 1.559 40 residues pruned to eliminate duplicates Z: 50 39.473 2.265 0.436 0.681 0.918 0.592 CB 1.599 50 residues pruned to eliminate duplicates Z: 52 35.198 2.177 0.485 0.625 0.922 0.627 CB 1.470 52 residues pruned to eliminate duplicates Z: 49 38.146 2.222 0.458 0.669 0.917 0.542 CB 1.586 49 residues pruned to eliminate duplicates Z: 45 37.943 2.173 0.479 0.661 0.932 0.523 CA 1.646 45 residues pruned to eliminate duplicates Z: 61 25.106 2.203 0.237 0.405 0.883 0.450 CB 1.488 61 residues pruned to eliminate duplicates Z: 31 27.820 2.204 0.615 0.614 0.800 0.367 CB 1.601 31 residues pruned to eliminate duplicates Z: 40 41.413 2.269 0.494 0.703 0.974 0.615 CB 1.670 40 residues pruned to eliminate duplicates Z: 75 28.599 2.205 0.313 0.396 0.892 0.405 CB 1.438 75 residues pruned to eliminate duplicates Z: 50 36.366 2.208 0.487 0.603 0.918 0.510 CB 1.563 50 residues pruned to eliminate duplicates Z: 42 42.021 2.268 0.507 0.691 0.951 0.488 CB 1.695 42 residues pruned to eliminate duplicates Z: 40 41.076 2.262 0.498 0.684 0.974 0.538 CB 1.683 40 residues pruned to eliminate duplicates Z: 23 18.457 2.210 0.264 0.549 0.955 0.500 CB 1.408 23 residues pruned to eliminate duplicates Z: 42 36.097 2.241 0.382 0.665 0.927 0.561 CA 1.686 42 residues pruned to eliminate duplicates Z: 22 9.904 2.017 0.259 0.432 0.762 0.333 CB 1.198 22 residues pruned to eliminate duplicates Z: 102 40.044 2.174 0.441 0.495 0.851 0.465 CB 1.500 102 residues pruned to eliminate duplicates Z: 35 13.730 1.986 0.411 0.409 0.765 0.382 CB 1.209 35 residues pruned to eliminate duplicates Z: 49 37.615 2.202 0.566 0.635 0.917 0.438 CB 1.513 49 residues pruned to eliminate duplicates Z: 76 38.458 2.189 0.495 0.525 0.867 0.507 CB 1.528 76 residues pruned to eliminate duplicates Z: 50 37.281 2.201 0.400 0.645 0.959 0.592 CB 1.573 50 residues pruned to eliminate duplicates Z: 10 5.973 1.749 0.447 0.414 0.667 0.444 CB 1.291 10 residues pruned to eliminate duplicates Z: 47 34.538 2.245 0.533 0.619 0.891 0.435 CB 1.484 47 residues pruned to eliminate duplicates Z: 12 6.648 1.959 0.424 0.254 0.818 0.182 CB 1.166 12 residues pruned to eliminate duplicates Z: 108 42.923 2.189 0.491 0.475 0.869 0.477 CB 1.500 108 residues pruned to eliminate duplicates Z: 48 32.736 2.201 0.503 0.591 0.894 0.383 CB 1.481 48 residues pruned to eliminate duplicates Z: 23 16.814 2.240 0.361 0.346 0.818 0.455 CB 1.698 23 residues pruned to eliminate duplicates Z: 57 22.781 2.134 0.396 0.357 0.768 0.446 CB 1.552 57 residues pruned to eliminate duplicates Z: 22 27.839 2.198 0.646 0.830 0.952 0.714 CB 1.326 30 residues pruned to eliminate duplicates Z: 24 23.284 2.136 0.510 0.696 0.913 0.696 CB 1.378 23 residues pruned to eliminate duplicates Z: 22 22.957 2.115 0.488 0.816 1.000 0.667 CB 1.210 26 residues pruned to eliminate duplicates Z: 21 25.013 2.186 0.519 0.854 0.950 0.600 CB 1.309 21 residues pruned to eliminate duplicates Z: 25 25.841 2.173 0.731 0.679 0.875 0.625 CB 1.359 23 residues pruned to eliminate duplicates Z: 19 22.196 2.138 0.562 0.892 0.944 0.556 CB 1.191 19 residues pruned to eliminate duplicates Z: 36 20.776 1.921 0.518 0.568 0.886 0.514 CB 1.273 36 residues pruned to eliminate duplicates Z: 19 21.562 2.228 0.579 0.759 0.833 0.556 CB 1.377 19 residues pruned to eliminate duplicates Z: 15 24.169 2.252 0.837 0.705 0.857 0.786 CB 1.512 15 residues pruned to eliminate duplicates Z: 16 24.565 2.224 0.706 0.775 0.933 0.733 CB 1.405 16 residues pruned to eliminate duplicates Z: 16 21.555 2.273 0.661 0.823 0.867 0.733 CB 1.285 16 residues pruned to eliminate duplicates Z: 34 20.686 2.117 0.386 0.558 0.818 0.455 CB 1.417 37 residues pruned to eliminate duplicates Z: 19 29.635 2.137 0.805 0.870 0.944 0.556 CA 1.400 19 residues pruned to eliminate duplicates Z: 15 12.269 1.977 0.870 0.481 0.786 0.429 CB 1.150 15 residues pruned to eliminate duplicates Z: 33 23.407 2.148 0.654 0.560 0.781 0.375 CB 1.406 33 residues pruned to eliminate duplicates Z: 35 24.829 2.121 0.767 0.550 0.794 0.412 CB 1.362 36 residues pruned to eliminate duplicates Z: 12 12.063 1.845 0.613 0.858 1.000 0.818 CB 0.900 12 residues pruned to eliminate duplicates Z: 28 23.849 2.058 0.708 0.642 0.852 0.370 CB 1.342 28 residues pruned to eliminate duplicates Z: 35 21.227 2.111 0.470 0.527 0.794 0.382 CB 1.438 33 residues pruned to eliminate duplicates Z: 13 11.721 2.014 0.549 0.660 0.750 0.250 CB 1.247 13 residues pruned to eliminate duplicates Z: 32 17.279 2.100 0.550 0.545 0.645 0.226 CB 1.414 32 residues pruned to eliminate duplicates Z: 32 23.881 2.166 0.651 0.569 0.774 0.226 CB 1.449 32 residues pruned to eliminate duplicates Z: 35 19.490 2.036 0.532 0.537 0.765 0.324 CB 1.352 35 residues pruned to eliminate duplicates Z: 29 22.525 2.070 0.759 0.613 0.786 0.250 CB 1.337 29 residues pruned to eliminate duplicates Z: 10 5.929 2.102 0.297 0.204 0.667 0.333 CB 1.544 11 residues pruned to eliminate duplicates Z: 6 5.050 1.645 0.357 0.456 0.800 0.800 CA 1.322 6 residues pruned to eliminate duplicates Z: 9 9.254 2.076 0.504 0.267 0.750 0.375 CA 1.822 9 residues pruned to eliminate duplicates Z: 33 20.488 2.109 0.490 0.561 0.719 0.469 CB 1.510 33 residues pruned to eliminate duplicates Z: 13 5.541 1.908 0.015 0.141 0.833 0.333 CB 1.547 13 residues pruned to eliminate duplicates Z: 13 3.282 1.815 -0.032 0.130 0.750 0.417 CB 1.141 13 residues pruned to eliminate duplicates Z: 22 7.852 1.840 0.160 0.349 0.714 0.190 CB 1.323 22 residues pruned to eliminate duplicates Z: 27 11.928 1.881 0.301 0.368 0.769 0.385 CA 1.432 27 residues pruned to eliminate duplicates Z: 13 8.327 1.943 0.210 0.263 0.833 0.333 CB 1.606 13 residues pruned to eliminate duplicates Z: 15 4.906 1.778 0.168 0.149 0.714 0.286 CB 1.361 15 residues pruned to eliminate duplicates Z: 13 5.393 1.965 0.059 0.187 0.750 0.333 CB 1.452 13 residues pruned to eliminate duplicates Z: 18 5.598 1.633 0.118 0.248 0.824 0.471 CB 1.208 18 residues pruned to eliminate duplicates Z: 12 6.049 1.834 0.158 0.198 0.818 0.455 CA 1.504 12 residues pruned to eliminate duplicates Z: 24 12.466 1.983 0.278 0.400 0.739 0.478 CB 1.543 24 residues pruned to eliminate duplicates Z: 27 12.711 1.967 0.234 0.347 0.769 0.423 CA 1.576 27 residues pruned to eliminate duplicates Z: 28 12.143 1.911 0.306 0.323 0.741 0.296 CA 1.537 28 residues pruned to eliminate duplicates Z: 22 12.324 1.963 0.252 0.410 0.762 0.381 CB 1.579 22 residues pruned to eliminate duplicates Z: 15 10.419 1.906 0.350 0.472 0.786 0.357 CA 1.417 15 residues pruned to eliminate duplicates Z: 14 5.784 1.792 0.281 0.420 0.692 0.308 CA 1.097 14 residues pruned to eliminate duplicates Z: 30 12.366 1.854 0.318 0.320 0.793 0.345 CB 1.445 28 residues pruned to eliminate duplicates Z: 12 9.257 1.656 0.738 0.384 0.818 0.364 CB 1.341 12 residues pruned to eliminate duplicates Z: 18 12.268 1.891 0.327 0.552 0.824 0.294 CA 1.369 20 residues pruned to eliminate duplicates Z: 7 9.870 1.893 0.547 0.611 1.000 0.333 CB 1.239 7 residues pruned to eliminate duplicates Z: 16 9.498 1.868 0.300 0.450 0.733 0.267 CA 1.449 16 residues pruned to eliminate duplicates Z: 17 10.624 1.838 0.280 0.474 0.812 0.438 CB 1.426 17 residues pruned to eliminate duplicates Z: 19 14.414 1.850 0.510 0.494 0.889 0.278 CB 1.377 18 residues pruned to eliminate duplicates Z: 6 4.455 2.019 0.255 0.158 0.800 0.400 CA 1.495 5 residues pruned to eliminate duplicates Z: 7 4.401 1.734 0.629 0.305 0.667 0.333 CB 1.186 7 residues pruned to eliminate duplicates Z: 45 22.654 2.058 0.372 0.423 0.841 0.545 CB 1.559 45 residues pruned to eliminate duplicates Z: 31 17.830 2.042 0.487 0.338 0.867 0.500 CB 1.477 31 residues pruned to eliminate duplicates Z: 42 20.592 2.058 0.307 0.413 0.878 0.537 CA 1.492 42 residues pruned to eliminate duplicates Z: 31 16.281 2.053 0.443 0.319 0.833 0.367 CB 1.470 31 residues pruned to eliminate duplicates Z: 22 15.289 2.106 0.470 0.339 0.905 0.524 CB 1.419 22 residues pruned to eliminate duplicates Z: 27 16.619 2.103 0.539 0.389 0.846 0.423 CB 1.338 27 residues pruned to eliminate duplicates Z: 28 15.288 2.119 0.560 0.342 0.741 0.481 CB 1.427 28 residues pruned to eliminate duplicates Z: 26 17.260 2.077 0.601 0.383 0.800 0.560 CB 1.470 26 residues pruned to eliminate duplicates Z: 24 17.061 2.035 0.436 0.406 0.870 0.478 CA 1.545 24 residues pruned to eliminate duplicates Z: 43 22.964 2.093 0.320 0.431 0.905 0.500 CB 1.523 43 residues pruned to eliminate duplicates Z: 44 24.805 2.107 0.370 0.454 0.884 0.581 CB 1.555 44 residues pruned to eliminate duplicates Z: 27 16.977 2.057 0.562 0.388 0.846 0.462 CB 1.380 27 residues pruned to eliminate duplicates Z: 42 24.445 2.096 0.405 0.439 0.927 0.585 CB 1.490 42 residues pruned to eliminate duplicates Z: 21 14.213 2.135 0.444 0.365 0.850 0.500 CB 1.402 21 residues pruned to eliminate duplicates Z: 42 22.059 2.009 0.401 0.434 0.927 0.537 CB 1.415 42 residues pruned to eliminate duplicates Z: 28 13.917 2.038 0.322 0.375 0.852 0.296 CB 1.333 28 residues pruned to eliminate duplicates Z: 26 13.509 2.020 0.450 0.361 0.800 0.480 CB 1.339 26 residues pruned to eliminate duplicates Z: 43 26.768 2.104 0.453 0.477 0.905 0.643 CB 1.529 43 residues pruned to eliminate duplicates Z: 30 18.462 2.070 0.406 0.402 0.862 0.586 CB 1.516 30 residues pruned to eliminate duplicates Z: 11 6.177 2.020 0.430 0.347 0.700 0.300 CB 1.140 11 residues pruned to eliminate duplicates Z: 43 22.246 2.091 0.260 0.468 0.952 0.500 CB 1.414 43 residues pruned to eliminate duplicates Z: 23 16.361 2.064 0.310 0.542 0.955 0.636 CA 1.297 23 residues pruned to eliminate duplicates Z: 35 17.233 2.040 0.217 0.441 0.912 0.588 CA 1.387 35 residues pruned to eliminate duplicates Z: 43 22.819 2.075 0.341 0.433 0.929 0.476 CA 1.460 43 residues pruned to eliminate duplicates Z: 42 22.832 2.071 0.396 0.476 0.829 0.561 CB 1.525 42 residues pruned to eliminate duplicates Z: 45 23.446 2.057 0.344 0.441 0.932 0.523 CA 1.458 44 residues pruned to eliminate duplicates Z: 15 10.463 2.022 0.387 0.372 0.929 0.429 CB 1.230 15 residues pruned to eliminate duplicates Z: 22 16.737 2.050 0.273 0.519 1.000 0.524 CA 1.374 22 residues pruned to eliminate duplicates Z: 34 21.106 2.096 0.235 0.536 0.970 0.758 CA 1.413 34 residues pruned to eliminate duplicates Z: 11 12.092 2.108 0.140 0.773 1.000 0.800 CA 1.250 11 residues pruned to eliminate duplicates Z: 10 13.322 2.169 0.418 0.683 1.000 0.889 CA 1.221 10 residues pruned to eliminate duplicates Z: 13 8.370 1.796 0.157 0.585 0.917 0.833 CB 1.170 13 residues pruned to eliminate duplicates Z: 42 20.239 2.064 0.303 0.433 0.902 0.561 CA 1.396 42 residues pruned to eliminate duplicates Z: 45 19.213 2.054 0.293 0.369 0.864 0.386 CB 1.454 45 residues pruned to eliminate duplicates Z: 8 9.734 2.188 0.048 0.796 1.000 0.857 CA 1.238 8 residues pruned to eliminate duplicates Z: 16 15.239 2.051 0.328 0.569 0.933 0.600 N 1.448 16 residues pruned to eliminate duplicates Z: 13 9.420 1.873 0.256 0.630 1.000 0.583 CA 1.023 13 residues pruned to eliminate duplicates Z: 13 15.267 2.133 0.436 0.493 1.000 0.500 CA 1.449 13 residues pruned to eliminate duplicates Z: 6 2.586 1.296 0.495 0.356 1.000 0.800 CA 0.698 6 residues pruned to eliminate duplicates Z: 18 18.518 2.049 0.532 0.587 0.941 0.647 CA 1.399 18 residues pruned to eliminate duplicates Z: 20 16.190 1.991 0.472 0.512 0.895 0.526 CA 1.400 20 residues pruned to eliminate duplicates Z: 18 20.171 2.034 0.531 0.610 1.000 0.647 CA 1.415 18 residues pruned to eliminate duplicates Z: 16 17.637 2.037 0.511 0.662 0.933 0.533 CA 1.364 16 residues pruned to eliminate duplicates Z: 13 13.881 2.109 0.356 0.585 0.917 0.667 CA 1.409 13 residues pruned to eliminate duplicates Z: 19 16.081 1.991 0.563 0.583 0.833 0.611 CA 1.349 26 residues pruned to eliminate duplicates Z: 10 10.278 1.904 0.521 0.639 0.889 0.444 CB 1.169 10 residues pruned to eliminate duplicates Z: 15 19.978 2.036 0.590 0.720 1.000 0.929 CA 1.352 15 residues pruned to eliminate duplicates Z: 17 17.347 2.009 0.511 0.590 0.938 0.500 CA 1.398 17 residues pruned to eliminate duplicates Z: 20 18.838 1.948 0.539 0.621 0.947 0.526 CA 1.357 20 residues pruned to eliminate duplicates Z: 18 15.488 2.017 0.631 0.625 0.882 0.706 CA 1.150 18 residues pruned to eliminate duplicates Z: 20 14.205 1.973 0.541 0.567 0.737 0.632 CA 1.363 20 residues pruned to eliminate duplicates Z: 18 21.983 2.002 0.724 0.659 1.000 0.765 CA 1.333 18 residues pruned to eliminate duplicates Z: 8 2.887 1.327 0.476 0.418 0.857 0.571 CB 0.708 4 residues pruned to eliminate duplicates Z: 12 13.394 1.754 0.703 0.852 1.000 0.727 CA 1.000 12 residues pruned to eliminate duplicates Z: 22 13.820 1.936 0.289 0.502 0.905 0.619 CB 1.333 23 residues pruned to eliminate duplicates Z: 15 12.605 2.038 0.385 0.558 0.857 0.643 CA 1.316 15 residues pruned to eliminate duplicates Z: 15 15.575 2.076 0.336 0.571 0.929 0.714 CA 1.510 15 residues pruned to eliminate duplicates Z: 18 12.996 1.999 0.278 0.517 0.824 0.529 CB 1.472 18 residues pruned to eliminate duplicates Z: 21 13.568 1.929 0.272 0.486 0.950 0.650 CB 1.319 21 residues pruned to eliminate duplicates Z: 14 16.457 2.136 0.215 0.622 0.923 0.769 CA 1.698 14 residues pruned to eliminate duplicates Z: 16 14.447 2.051 0.336 0.594 0.933 0.800 CB 1.333 16 residues pruned to eliminate duplicates Z: 15 15.566 2.153 0.254 0.544 0.929 0.786 CB 1.589 21 residues pruned to eliminate duplicates Z: 14 14.348 2.012 0.454 0.592 0.923 0.692 CB 1.350 14 residues pruned to eliminate duplicates Z: 16 13.500 1.974 0.313 0.492 0.867 0.600 CB 1.565 16 residues pruned to eliminate duplicates Z: 15 13.770 2.025 0.402 0.544 0.929 0.786 CB 1.337 15 residues pruned to eliminate duplicates Z: 17 13.692 2.003 0.401 0.520 0.938 0.688 CB 1.275 17 residues pruned to eliminate duplicates Z: 19 11.897 1.949 0.217 0.401 0.944 0.444 CB 1.390 19 residues pruned to eliminate duplicates Z: 7 5.403 1.573 0.516 0.482 0.833 0.667 CB 1.130 7 residues pruned to eliminate duplicates Z: 19 11.949 1.950 0.282 0.372 0.889 0.500 CB 1.454 19 residues pruned to eliminate duplicates Z: 11 5.165 1.799 0.239 0.200 0.700 0.300 CB 1.495 11 residues pruned to eliminate duplicates Z: 7 8.381 1.980 0.245 0.408 1.000 0.500 C 1.529 8 residues pruned to eliminate duplicates Z: 6 2.456 1.630 0.152 0.176 0.800 0.000 C 1.081 6 residues pruned to eliminate duplicates Z: 8 6.374 1.668 0.687 0.752 0.571 0.286 CA 1.197 Z: 6 6.465 1.723 0.468 0.723 0.800 0.600 CA 1.168 Z: 10 5.988 1.596 0.392 0.550 0.667 0.333 CB 1.284 6 residues pruned to eliminate duplicates Z: 11 4.649 1.601 0.485 0.391 0.700 0.200 CB 0.991 9 residues pruned to eliminate duplicates Z: 7 4.343 1.371 0.585 0.432 1.000 0.333 CA 0.875 5 residues pruned to eliminate duplicates Z: 6 5.869 1.693 0.379 0.454 1.000 0.800 CA 1.178 6 residues pruned to eliminate duplicates Z: 10 13.264 2.114 0.770 0.398 0.889 0.556 CA 1.481 9 residues pruned to eliminate duplicates 7 1.879 1.494 0.689 0.225 0.667 0.333 CA 0.629 ? Z: 6 2.500 1.339 0.347 0.463 0.800 0.600 O 0.805 Z: 6 3.736 1.600 0.290 0.464 1.000 0.600 CB 0.839 479 residues left after pruning, divided into chains as follows: A: 6 B: 6 C: 6 D: 9 E: 7 F: 20 G: 31 H: 112 I: 106 J: 33 K: 27 L: 45 M: 19 N: 15 O: 18 P: 8 Q: 11 CC for partial structure against native data = 15.93 % ------------------------------------------------------------------------------ Global autotracing cycle 31 Phases from autotracing cycle 4 used as input for final density modification = 0.300, Contrast = 0.409, Connect. = 0.676 for dens.mod. cycle 1 = 0.317, Contrast = 0.473, Connect. = 0.697 for dens.mod. cycle 2 = 0.318, Contrast = 0.563, Connect. = 0.743 for dens.mod. cycle 3 = 0.318, Contrast = 0.564, Connect. = 0.746 for dens.mod. cycle 4 = 0.318, Contrast = 0.577, Connect. = 0.751 for dens.mod. cycle 5 = 0.318, Contrast = 0.579, Connect. = 0.754 for dens.mod. cycle 6 = 0.318, Contrast = 0.585, Connect. = 0.758 for dens.mod. cycle 7 = 0.318, Contrast = 0.587, Connect. = 0.760 for dens.mod. cycle 8 = 0.318, Contrast = 0.590, Connect. = 0.762 for dens.mod. cycle 9 = 0.318, Contrast = 0.590, Connect. = 0.763 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.22 - 3.35 - 2.93 - 2.66 - 2.47 - 2.32 - 2.20 - 2.11 - 2.03 - 1.95 0.711 0.717 0.712 0.689 0.653 0.656 0.636 0.568 0.496 0.474 0.904 0.905 0.902 0.884 0.848 0.846 0.820 0.753 0.666 0.619 N 7099 7113 7067 7192 7066 7283 7367 6641 6937 7041 Estimated mean FOM = 0.632 Pseudo-free CC = 62.62 % Best trace (cycle 4 with CC 20.59%) was saved as ./2ii1-1.9-parrot-noncs/2ii1-1.9-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.7 - Setup, data input and phasing 61.5 - FFTs and peak-searches 229.4 - Sphere of influence 4.9 - Rest of density modification 0.0 - Alpha-helix search 24317.6 - Tripeptide search 55479.7 - Chain tracing 0.0 - NCS analysis 350.0 - B-value refinement for trace 0.9 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 20:22:06 Total time: 80444.51 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 1358.49 Used memory is bytes: 64525104