==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-SEP-03 1UOO . COMPND 2 MOLECULE: PROLYL ENDOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR D.REA,V.FULOP . 714 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 481 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 162 22.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 74 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 0 0 1 0 1 0 2 1 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 5 3 4 8 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 5 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 108 0, 0.0 2,-0.8 0, 0.0 666,-0.0 0.000 360.0 360.0 360.0 -29.1 16.9 54.0 59.0 2 2 A L + 0 0 54 1,-0.1 2,-0.2 2,-0.0 666,-0.0 -0.600 360.0 160.4-102.7 69.5 20.3 53.1 57.6 3 3 A S + 0 0 112 -2,-0.8 2,-0.2 2,-0.0 -1,-0.1 -0.014 55.0 63.8 -85.2 31.0 21.2 56.5 56.3 4 4 A F S S- 0 0 46 -2,-0.2 2,-0.4 49,-0.0 -2,-0.0 -0.730 76.8-118.9-134.8-175.2 24.9 55.7 56.2 5 5 A Q - 0 0 170 -2,-0.2 3,-0.1 3,-0.0 -2,-0.0 -0.997 26.9-114.6-131.7 139.3 27.3 53.4 54.4 6 6 A Y - 0 0 40 -2,-0.4 3,-0.1 1,-0.1 40,-0.1 -0.524 44.5-105.0 -67.9 135.2 29.6 50.8 55.9 7 7 A P - 0 0 30 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.292 32.9-104.9 -62.7 144.5 33.2 51.7 55.4 8 8 A D - 0 0 167 -3,-0.1 2,-0.4 1,-0.0 -3,-0.0 -0.571 40.5-168.6 -67.6 128.0 35.3 49.9 52.8 9 9 A V - 0 0 31 -2,-0.3 2,-0.1 645,-0.1 -3,-0.0 -0.991 21.2-120.2-127.6 122.9 37.6 47.4 54.6 10 10 A Y - 0 0 166 -2,-0.4 2,-0.6 1,-0.1 -2,-0.0 -0.372 21.5-145.5 -65.4 133.0 40.4 45.7 52.8 11 11 A R - 0 0 46 -2,-0.1 2,-1.3 17,-0.1 17,-0.2 -0.896 2.1-150.5-104.1 117.4 40.3 41.9 52.8 12 12 A D > + 0 0 43 15,-2.8 3,-1.1 -2,-0.6 14,-0.2 -0.711 18.6 177.6 -85.0 91.1 43.6 40.0 52.9 13 13 A E T 3 S+ 0 0 107 -2,-1.3 -1,-0.2 1,-0.2 15,-0.1 0.661 73.7 65.7 -70.2 -16.5 42.5 36.9 51.0 14 14 A T T 3 S+ 0 0 112 1,-0.1 2,-2.6 -3,-0.1 -1,-0.2 0.695 71.5 99.8 -76.6 -21.3 46.1 35.5 51.3 15 15 A A < + 0 0 25 -3,-1.1 11,-2.7 11,-0.0 2,-0.5 -0.390 50.6 151.4 -70.9 72.5 45.9 35.1 55.1 16 16 A I E -A 25 0A 99 -2,-2.6 2,-0.4 9,-0.2 9,-0.2 -0.922 23.0-170.7-109.6 127.3 45.2 31.4 55.1 17 17 A Q E -A 24 0A 74 7,-2.9 7,-3.1 -2,-0.5 2,-0.6 -0.944 19.0-132.3-119.8 140.4 46.2 29.3 58.1 18 18 A D E -A 23 0A 78 -2,-0.4 2,-0.6 5,-0.2 5,-0.2 -0.815 18.0-173.8 -90.3 119.6 46.2 25.5 58.5 19 19 A Y E > S-A 22 0A 17 3,-3.4 3,-2.6 -2,-0.6 584,-0.1 -0.912 75.2 -45.8-111.1 99.1 44.7 24.3 61.7 20 20 A H T 3 S- 0 0 72 -2,-0.6 3,-0.1 1,-0.3 -1,-0.1 0.808 123.0 -37.4 46.9 41.4 45.3 20.5 61.8 21 21 A G T 3 S+ 0 0 59 1,-0.3 2,-0.5 0, 0.0 -1,-0.3 0.161 117.3 111.0 99.8 -18.3 44.1 20.0 58.2 22 22 A H E < -A 19 0A 93 -3,-2.6 -3,-3.4 2,-0.0 2,-0.6 -0.797 63.1-138.7 -90.4 127.6 41.4 22.7 58.3 23 23 A K E -A 18 0A 137 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.782 20.2-169.0 -90.7 121.1 42.0 25.8 56.3 24 24 A V E -A 17 0A 12 -7,-3.1 -7,-2.9 -2,-0.6 2,-0.4 -0.944 10.1-148.8-115.2 130.2 41.0 29.0 58.0 25 25 A C E -A 16 0A 75 -2,-0.5 -9,-0.2 -9,-0.2 3,-0.1 -0.827 13.8-179.6 -96.8 131.0 40.9 32.4 56.3 26 26 A D > + 0 0 14 -11,-2.7 3,-1.8 -2,-0.4 4,-0.1 -0.566 10.1 165.9-127.6 68.8 41.6 35.6 58.4 27 27 A P T 3 S+ 0 0 12 0, 0.0 -15,-2.8 0, 0.0 3,-0.3 0.641 76.8 50.8 -65.3 -16.4 41.2 38.5 55.9 28 28 A Y T > S+ 0 0 4 -17,-0.2 3,-1.8 1,-0.2 4,-0.1 0.046 70.1 119.1-108.7 25.6 41.1 41.1 58.6 29 29 A A G X + 0 0 19 -3,-1.8 3,-1.5 1,-0.3 -1,-0.2 0.709 63.0 71.7 -61.6 -23.4 44.3 39.9 60.4 30 30 A W G > S+ 0 0 55 -3,-0.3 3,-1.2 1,-0.3 -1,-0.3 0.677 81.6 72.3 -69.1 -17.2 45.9 43.3 59.7 31 31 A L G < S+ 0 0 2 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.513 76.3 82.3 -73.6 -4.2 43.6 44.8 62.4 32 32 A E G < S+ 0 0 37 -3,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.602 74.5 79.4 -75.1 -14.0 45.7 43.0 65.0 33 33 A D X - 0 0 81 -3,-1.2 3,-0.8 1,-0.1 6,-0.3 -0.846 61.2-175.3 -97.0 101.7 48.2 45.9 64.8 34 34 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 167,-0.1 0.728 78.9 54.7 -69.9 -23.2 46.6 48.6 67.0 35 35 A D T 3 S+ 0 0 75 4,-0.1 166,-0.0 5,-0.0 -2,-0.0 0.545 83.1 107.3 -89.6 -11.6 49.4 51.2 66.1 36 36 A S S <> S- 0 0 11 -3,-0.8 4,-2.1 -6,-0.2 5,-0.1 -0.277 74.8-127.0 -69.0 153.5 49.1 51.1 62.3 37 37 A E H > S+ 0 0 141 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.845 110.9 58.8 -66.5 -34.1 47.5 53.9 60.4 38 38 A Q H > S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 108.1 43.8 -57.1 -49.6 45.2 51.3 58.7 39 39 A T H > S+ 0 0 4 -6,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.925 114.2 49.4 -65.3 -46.3 43.8 50.2 62.1 40 40 A K H X S+ 0 0 109 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.896 112.5 48.5 -59.7 -41.9 43.4 53.8 63.3 41 41 A A H X S+ 0 0 59 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.874 110.8 50.7 -65.1 -39.7 41.7 54.8 60.1 42 42 A F H X S+ 0 0 11 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.927 111.3 47.8 -62.8 -47.7 39.3 51.8 60.3 43 43 A V H X S+ 0 0 28 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.933 112.0 50.4 -58.0 -49.5 38.4 52.7 63.9 44 44 A E H X S+ 0 0 118 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.902 109.6 49.8 -55.1 -47.7 37.8 56.3 63.0 45 45 A A H < S+ 0 0 32 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.827 112.4 48.3 -64.0 -34.6 35.5 55.3 60.0 46 46 A Q H >X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 3,-1.1 0.908 111.3 48.0 -71.5 -45.7 33.5 53.0 62.3 47 47 A N H 3X S+ 0 0 29 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.791 102.9 66.4 -63.0 -28.6 33.1 55.6 65.1 48 48 A K H 3< S+ 0 0 144 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.682 110.8 32.3 -67.7 -22.5 32.0 58.1 62.4 49 49 A I H <> S+ 0 0 23 -3,-1.1 4,-1.0 -4,-0.4 -1,-0.2 0.674 117.8 53.5-105.8 -25.0 28.8 56.2 61.6 50 50 A T H X S+ 0 0 0 -4,-1.7 4,-2.5 622,-0.2 5,-0.2 0.954 105.0 50.8 -75.2 -52.8 28.1 54.8 65.1 51 51 A V H X S+ 0 0 43 -4,-1.8 4,-2.2 1,-0.2 5,-0.2 0.921 111.8 46.4 -55.5 -52.6 28.1 58.0 67.1 52 52 A P H > S+ 0 0 74 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.860 113.1 52.5 -56.5 -36.7 25.7 59.9 64.8 53 53 A F H < S+ 0 0 8 -4,-1.0 3,-0.4 1,-0.2 4,-0.4 0.912 112.8 42.7 -63.6 -45.7 23.4 56.8 64.8 54 54 A L H < S+ 0 0 1 -4,-2.5 3,-0.3 1,-0.2 6,-0.2 0.816 118.7 44.3 -69.8 -33.0 23.3 56.6 68.6 55 55 A E H < S+ 0 0 103 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.482 86.9 88.4 -96.0 -4.0 22.9 60.4 69.1 56 56 A Q S < S+ 0 0 132 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.1 0.826 79.8 69.9 -64.2 -33.3 20.2 61.1 66.4 57 57 A C S > S- 0 0 41 -4,-0.4 3,-1.3 -3,-0.3 4,-0.5 -0.709 77.4-139.8 -91.1 135.1 17.4 60.3 68.8 58 58 A P T 3> S+ 0 0 100 0, 0.0 4,-1.9 0, 0.0 3,-0.2 0.620 93.8 84.7 -62.7 -13.0 16.5 62.7 71.7 59 59 A I H 3> S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.804 83.9 55.8 -58.7 -34.3 16.0 59.5 73.7 60 60 A R H <> S+ 0 0 17 -3,-1.3 4,-3.1 2,-0.2 -1,-0.2 0.907 107.7 48.4 -64.6 -43.5 19.7 59.3 74.5 61 61 A G H > S+ 0 0 45 -4,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.872 112.3 48.9 -62.2 -40.1 19.6 62.8 76.0 62 62 A L H X S+ 0 0 63 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.863 114.4 45.4 -68.4 -38.7 16.5 61.8 78.0 63 63 A Y H X S+ 0 0 2 -4,-2.3 4,-3.3 2,-0.2 -2,-0.2 0.939 113.4 48.3 -69.0 -50.1 18.3 58.6 79.3 64 64 A K H X S+ 0 0 72 -4,-3.1 4,-2.9 2,-0.2 -2,-0.2 0.884 112.6 49.4 -56.2 -43.1 21.6 60.4 80.1 65 65 A E H X S+ 0 0 114 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.891 115.7 42.6 -64.9 -41.1 19.8 63.1 81.9 66 66 A R H X S+ 0 0 45 -4,-1.6 4,-3.0 2,-0.2 5,-0.3 0.854 113.9 51.8 -73.5 -37.6 17.8 60.6 83.9 67 67 A M H X S+ 0 0 2 -4,-3.3 4,-2.4 2,-0.2 5,-0.2 0.924 110.6 48.1 -61.1 -47.2 20.9 58.4 84.4 68 68 A T H < S+ 0 0 47 -4,-2.9 4,-0.4 -5,-0.2 -2,-0.2 0.857 114.7 48.7 -61.1 -37.5 22.8 61.5 85.8 69 69 A E H >< S+ 0 0 99 -4,-1.6 3,-0.6 -5,-0.2 -2,-0.2 0.966 118.7 34.2 -64.5 -57.9 19.7 62.2 88.0 70 70 A L H 3< S+ 0 0 6 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.704 113.8 57.1 -80.7 -22.5 19.2 58.7 89.5 71 71 A Y T 3< S+ 0 0 54 -4,-2.4 2,-2.1 -5,-0.3 -1,-0.2 0.594 82.7 96.3 -79.5 -12.5 22.9 57.7 89.7 72 72 A D < + 0 0 88 -3,-0.6 -1,-0.2 -4,-0.4 22,-0.1 -0.515 58.2 116.4 -79.2 72.7 23.5 60.8 91.8 73 73 A Y S S- 0 0 26 -2,-2.1 354,-0.1 20,-0.3 18,-0.1 -0.980 74.2 -87.8-137.7 151.3 23.3 59.1 95.1 74 74 A P - 0 0 47 0, 0.0 2,-0.5 0, 0.0 18,-0.2 -0.311 40.4-161.4 -60.3 136.4 25.9 58.6 97.9 75 75 A K E -B 91 0B 41 16,-2.4 16,-2.1 350,-0.0 2,-0.4 -0.983 10.2-178.8-126.2 121.4 28.1 55.5 97.5 76 76 A Y E -B 90 0B 53 -2,-0.5 14,-0.2 14,-0.2 2,-0.2 -0.932 18.2-150.4-120.0 141.8 30.1 54.0 100.4 77 77 A S - 0 0 13 12,-2.1 3,-0.1 -2,-0.4 307,-0.1 -0.551 49.2 -77.7 -85.3 167.9 32.4 51.1 100.8 78 78 A C - 0 0 7 -2,-0.2 11,-0.4 1,-0.1 2,-0.2 -0.291 48.3-107.5 -57.9 149.2 32.6 49.4 104.2 79 79 A H - 0 0 1 9,-0.1 2,-0.3 307,-0.1 9,-0.2 -0.590 42.1-173.6 -69.9 142.7 34.5 51.0 107.0 80 80 A F E -C 87 0B 22 7,-2.5 7,-3.1 -2,-0.2 2,-0.4 -0.996 16.3-133.4-141.5 147.2 37.8 49.2 107.7 81 81 A K E +C 86 0B 65 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.829 22.1 171.2-102.3 134.3 40.4 49.6 110.4 82 82 A K E > -C 85 0B 47 3,-2.3 3,-1.6 -2,-0.4 2,-0.2 -0.967 68.8 -35.8-135.2 124.4 44.1 49.7 109.9 83 83 A G T 3 S- 0 0 22 51,-0.5 53,-0.2 -2,-0.4 54,-0.1 -0.461 123.1 -27.0 63.5-129.9 46.2 50.6 112.9 84 84 A K T 3 S+ 0 0 145 51,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.256 123.4 80.2 -98.3 10.0 44.5 53.3 115.0 85 85 A R E < -C 82 0B 19 -3,-1.6 -3,-2.3 51,-0.1 2,-0.4 -0.856 67.4-134.7-125.0 151.8 42.5 54.7 112.1 86 86 A Y E -CD 81 103B 19 17,-3.2 17,-2.3 -2,-0.3 2,-0.3 -0.832 21.8-168.4-101.4 144.0 39.3 53.9 110.1 87 87 A F E +CD 80 102B 0 -7,-3.1 -7,-2.5 -2,-0.4 2,-0.3 -0.929 11.4 162.4-129.2 153.4 39.2 54.1 106.3 88 88 A Y E - D 0 101B 23 13,-1.5 13,-3.5 -2,-0.3 2,-0.3 -0.951 32.9-119.1-164.1 151.7 36.4 54.0 103.8 89 89 A F E - D 0 100B 7 -11,-0.4 -12,-2.1 -2,-0.3 2,-0.3 -0.742 34.2-178.0 -94.0 145.4 35.7 54.9 100.1 90 90 A Y E -BD 76 99B 47 9,-1.9 9,-2.7 -2,-0.3 2,-0.4 -0.993 19.7-171.5-150.7 136.2 33.0 57.5 99.3 91 91 A N E -B 75 0B 8 -16,-2.1 -16,-2.4 -2,-0.3 7,-0.1 -0.999 21.1-146.5-125.5 126.2 31.4 59.1 96.2 92 92 A T - 0 0 71 -2,-0.4 -1,-0.1 -18,-0.2 -16,-0.0 0.827 66.3 -85.9 -58.2 -32.1 29.1 62.1 96.7 93 93 A G S S+ 0 0 0 -19,-0.1 -20,-0.3 -21,-0.1 -1,-0.1 -0.239 116.1 36.3 161.1 -54.7 27.2 60.6 93.7 94 94 A L S S+ 0 0 61 -22,-0.1 593,-0.2 3,-0.0 -22,-0.1 0.311 74.4 130.2-112.3 5.8 28.7 61.8 90.4 95 95 A Q - 0 0 43 1,-0.1 591,-0.3 591,-0.1 3,-0.1 -0.370 61.9-129.1 -59.7 139.1 32.5 61.9 91.2 96 96 A N S S+ 0 0 44 589,-0.2 590,-1.2 1,-0.1 2,-0.3 0.870 92.0 21.9 -57.7 -40.4 34.5 60.1 88.5 97 97 A Q S S- 0 0 21 588,-0.2 20,-0.2 -7,-0.1 -1,-0.1 -0.972 86.8-111.4-129.9 144.0 36.3 58.1 91.1 98 98 A R - 0 0 124 -2,-0.3 2,-0.4 -7,-0.1 -7,-0.2 -0.430 35.4-129.3 -69.2 149.1 35.5 57.2 94.7 99 99 A V E -D 90 0B 1 -9,-2.7 -9,-1.9 16,-0.1 2,-0.6 -0.844 8.4-127.8-107.4 136.5 37.7 58.9 97.3 100 100 A L E -DE 89 114B 1 14,-2.4 13,-2.7 -2,-0.4 14,-1.9 -0.738 31.1-164.5 -82.7 122.4 39.5 57.1 100.2 101 101 A Y E -DE 88 112B 36 -13,-3.5 -13,-1.5 -2,-0.6 2,-0.4 -0.753 7.2-155.3-108.0 153.1 38.7 58.8 103.5 102 102 A V E +DE 87 111B 2 9,-2.6 9,-2.4 -2,-0.3 2,-0.3 -0.974 11.2 176.9-125.6 142.0 40.4 58.6 106.9 103 103 A Q E -D 86 0B 15 -17,-2.3 -17,-3.2 -2,-0.4 7,-0.1 -0.987 29.4-139.8-141.1 141.7 39.1 59.2 110.4 104 104 A D S S+ 0 0 90 5,-0.5 2,-0.3 -2,-0.3 6,-0.1 0.670 88.3 11.5 -72.2 -18.3 40.9 58.7 113.8 105 105 A S S S- 0 0 54 4,-0.1 3,-0.5 -19,-0.1 -19,-0.1 -0.963 81.7-102.1-153.1 166.5 37.8 57.2 115.4 106 106 A L S S+ 0 0 54 -2,-0.3 -2,-0.0 1,-0.2 -21,-0.0 0.701 124.6 33.5 -65.9 -22.0 34.4 55.9 114.5 107 107 A E S S+ 0 0 194 2,-0.1 -1,-0.2 -4,-0.0 3,-0.1 0.434 101.7 105.1-110.3 -4.4 32.7 59.1 115.7 108 108 A G S S- 0 0 25 -3,-0.5 2,-0.2 1,-0.1 0, 0.0 -0.170 80.9 -79.3 -78.2 169.3 35.5 61.5 114.7 109 109 A E - 0 0 174 1,-0.1 -5,-0.5 -6,-0.0 2,-0.3 -0.460 44.1-134.3 -72.1 135.0 35.8 63.9 111.7 110 110 A A - 0 0 32 -2,-0.2 2,-0.3 -7,-0.1 -7,-0.2 -0.694 22.3-175.3 -92.5 141.0 36.6 62.4 108.3 111 111 A R E -E 102 0B 96 -9,-2.4 -9,-2.6 -2,-0.3 2,-0.2 -0.941 36.1 -90.1-130.7 155.7 39.2 63.9 105.9 112 112 A V E +E 101 0B 76 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.452 40.6 171.0 -63.0 128.6 40.4 63.1 102.4 113 113 A F E S+ 0 0 10 -13,-2.7 2,-0.3 1,-0.2 -12,-0.2 0.769 72.7 7.1-105.6 -48.8 43.3 60.6 102.4 114 114 A L E -E 100 0B 16 -14,-1.9 -14,-2.4 0, 0.0 -1,-0.2 -0.908 61.4-174.9-140.5 113.7 43.6 59.8 98.7 115 115 A D > - 0 0 37 -2,-0.3 3,-0.9 -16,-0.2 -16,-0.1 -0.899 2.4-175.7-106.8 102.5 41.6 61.6 96.0 116 116 A P G > S+ 0 0 4 0, 0.0 3,-1.4 0, 0.0 9,-0.2 0.689 74.7 75.8 -70.0 -19.0 42.2 59.9 92.6 117 117 A N G > S+ 0 0 33 1,-0.3 3,-1.0 -20,-0.2 6,-0.3 0.791 88.8 57.4 -63.3 -30.6 40.1 62.6 90.8 118 118 A I G < S+ 0 0 135 -3,-0.9 -1,-0.3 1,-0.2 3,-0.1 0.493 94.1 68.5 -79.3 -3.9 42.9 65.2 91.1 119 119 A L G < S+ 0 0 78 -3,-1.4 2,-0.3 6,-0.2 -1,-0.2 0.476 106.6 32.2 -93.3 -4.0 45.4 62.9 89.3 120 120 A S X - 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0 0 37 -78,-0.4 3,-1.6 -2,-0.3 4,-0.5 -0.883 37.1-107.0-124.9 160.1 8.7 38.6 72.0 545 545 A P G > S+ 0 0 44 0, 0.0 3,-1.0 0, 0.0 27,-0.6 0.864 120.1 53.0 -55.6 -39.4 11.9 37.9 69.8 546 546 A K G 3 S+ 0 0 146 1,-0.2 25,-0.1 25,-0.2 24,-0.1 0.603 112.6 45.8 -72.0 -12.7 11.6 41.3 68.1 547 547 A R G < S+ 0 0 89 -3,-1.6 -79,-2.3 -81,-0.1 2,-0.5 0.358 92.0 104.0-108.7 1.9 11.5 43.0 71.5 548 548 A L E < -b 468 0I 0 -3,-1.0 24,-2.1 -4,-0.5 25,-2.0 -0.770 45.8-171.6 -99.4 126.8 14.4 41.1 73.2 549 549 A T E -bc 469 573I 0 -81,-3.3 -79,-2.9 -2,-0.5 2,-0.4 -0.945 7.5-158.9-109.6 131.8 17.8 42.5 73.8 550 550 A I E -bc 470 574I 0 23,-2.0 25,-2.7 -2,-0.4 2,-0.3 -0.898 11.9-175.7-111.0 146.1 20.7 40.3 75.0 551 551 A N E +bc 471 575I 4 -81,-2.3 -79,-1.5 -2,-0.4 2,-0.3 -0.990 12.1 153.0-144.3 143.8 23.8 41.6 76.7 552 552 A G E - c 0 576I 0 23,-1.3 25,-2.4 -2,-0.3 2,-0.4 -0.952 28.4-131.3-166.1 153.8 27.1 40.3 78.1 553 553 A G E > - c 0 577I 17 -81,-0.3 3,-2.5 -2,-0.3 2,-0.7 -0.952 66.0 -36.3-120.3 133.7 30.6 41.4 78.7 554 554 A A T 3> S+ 0 0 2 23,-3.0 4,-1.9 -2,-0.4 26,-1.7 -0.464 145.7 16.1 65.2-102.8 33.9 39.8 77.8 555 555 A N H 3> S+ 0 0 0 160,-1.5 4,-1.3 -2,-0.7 -1,-0.3 0.800 134.1 51.8 -63.5 -29.3 33.2 36.1 78.2 556 556 A G H <> S+ 0 0 0 -3,-2.5 4,-2.0 2,-0.2 -2,-0.3 0.701 102.9 57.7 -76.9 -22.9 29.6 37.3 78.2 557 557 A G H > S+ 0 0 0 20,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.890 105.6 49.2 -70.5 -42.8 30.4 39.1 74.9 558 558 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.876 109.3 56.8 -56.0 -40.4 31.4 35.8 73.5 559 559 A L H X S+ 0 0 0 -4,-1.3 4,-2.1 1,-0.2 -2,-0.2 0.951 111.0 37.4 -58.9 -55.6 28.1 34.5 74.8 560 560 A V H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.785 115.7 53.8 -73.2 -28.9 25.7 36.9 73.1 561 561 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.873 110.7 46.6 -70.7 -40.5 27.7 37.0 69.8 562 562 A T H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.923 111.6 51.0 -66.5 -44.9 27.6 33.2 69.5 563 563 A C H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 7,-0.2 0.798 107.2 55.3 -62.9 -30.1 23.9 33.2 70.3 564 564 A A H < S+ 0 0 0 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.924 111.9 42.6 -65.1 -47.0 23.5 35.8 67.6 565 565 A N H < S+ 0 0 20 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.895 121.3 40.8 -62.3 -43.8 25.2 33.5 65.1 566 566 A Q H < S+ 0 0 61 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.838 131.9 17.9 -81.9 -37.0 23.4 30.4 66.3 567 567 A R >< + 0 0 60 -4,-2.5 3,-1.5 -5,-0.2 4,-0.3 -0.522 62.5 156.2-136.0 69.4 19.8 31.8 66.8 568 568 A P G > S+ 0 0 16 0, 0.0 3,-1.0 0, 0.0 61,-0.1 0.814 75.5 64.0 -62.1 -29.6 19.4 35.2 64.9 569 569 A D G 3 S+ 0 0 68 1,-0.2 -5,-0.1 -3,-0.1 61,-0.0 0.574 95.1 62.2 -66.6 -11.7 15.6 34.6 64.9 570 570 A L G < S+ 0 0 8 -3,-1.5 2,-0.4 -7,-0.2 -1,-0.2 0.600 99.5 50.7 -96.3 -14.0 15.5 34.7 68.7 571 571 A F < - 0 0 9 -3,-1.0 -25,-0.2 -4,-0.3 -22,-0.2 -0.964 47.0-166.3-133.7 142.0 16.7 38.3 69.3 572 572 A G S S+ 0 0 10 -24,-2.1 60,-2.2 -27,-0.6 2,-0.3 0.764 85.0 18.4 -88.9 -30.5 15.8 41.8 68.1 573 573 A C E -cd 549 632I 0 -25,-2.0 -23,-2.0 58,-0.2 2,-0.4 -0.997 59.8-167.3-148.6 142.1 19.0 43.4 69.6 574 574 A V E -cd 550 633I 1 58,-2.7 60,-2.3 -2,-0.3 2,-0.6 -0.987 0.8-170.3-136.1 122.6 22.4 42.3 70.8 575 575 A I E -cd 551 634I 0 -25,-2.7 -23,-1.3 -2,-0.4 2,-0.6 -0.945 8.1-173.7-114.1 111.7 24.9 44.4 72.8 576 576 A A E -cd 552 635I 0 58,-1.9 60,-2.3 -2,-0.6 2,-0.4 -0.912 7.2-159.8-108.0 114.5 28.3 42.7 73.2 577 577 A Q E -cd 553 636I 36 -25,-2.4 -23,-3.0 -2,-0.6 -20,-0.3 -0.802 67.0 -26.7 -96.5 133.5 30.8 44.5 75.4 578 578 A V S S- 0 0 15 58,-3.8 -1,-0.2 -2,-0.4 -21,-0.2 0.753 91.6-172.3 37.6 47.3 34.6 43.9 75.2 579 579 A G - 0 0 0 -3,-0.2 2,-0.9 57,-0.2 -24,-0.2 -0.272 34.2-124.8 -79.8 150.4 33.9 40.4 73.8 580 580 A V + 0 0 0 -26,-1.7 3,-0.1 1,-0.2 -1,-0.1 -0.834 45.3 157.0 -88.2 105.4 36.3 37.5 73.1 581 581 A M + 0 0 0 -2,-0.9 36,-2.5 1,-0.2 2,-1.0 0.729 53.3 66.0-107.6 -30.1 35.4 37.0 69.4 582 582 A D > + 0 0 1 34,-0.2 4,-1.6 1,-0.2 3,-0.4 -0.777 54.4 173.0 -98.5 89.8 38.4 35.2 67.9 583 583 A M T 4 S+ 0 0 0 -2,-1.0 19,-0.3 1,-0.2 4,-0.2 0.611 77.1 56.7 -73.0 -12.1 38.4 31.9 69.8 584 584 A L T 4 S+ 0 0 0 -3,-0.1 18,-0.2 27,-0.1 -1,-0.2 0.804 119.6 25.5 -86.9 -32.9 41.2 30.6 67.5 585 585 A K T >4 S+ 0 0 18 -3,-0.4 3,-2.3 1,-0.1 4,-0.3 0.491 88.4 104.1-110.9 -6.1 43.7 33.4 68.3 586 586 A F G >< S+ 0 0 1 -4,-1.6 3,-1.1 1,-0.3 6,-0.2 0.781 76.0 59.6 -48.5 -38.2 42.7 34.6 71.8 587 587 A H G 3 S+ 0 0 23 1,-0.2 6,-0.4 -4,-0.2 -1,-0.3 0.591 92.1 70.2 -71.4 -11.8 45.5 32.9 73.6 588 588 A K G < S+ 0 0 90 -3,-2.3 -384,-0.4 4,-0.2 2,-0.4 0.690 88.2 72.7 -80.2 -20.3 48.2 34.8 71.7 589 589 A Y S X S- 0 0 22 -3,-1.1 3,-2.7 -4,-0.3 4,-0.2 -0.802 102.2 -54.1-114.9 140.7 47.6 38.2 73.2 590 590 A T T 3 S- 0 0 0 -388,-2.4 -385,-2.8 -2,-0.4 3,-0.3 -0.087 121.0 -15.0 40.4-111.3 48.4 39.8 76.7 591 591 A I T > S+ 0 0 0 51,-0.6 3,-2.7 52,-0.3 4,-0.3 0.400 103.8 111.1-100.4 2.3 46.8 37.5 79.3 592 592 A G G X + 0 0 0 -3,-2.7 3,-1.7 1,-0.3 4,-0.2 0.727 63.7 72.0 -47.1 -30.2 44.6 35.6 76.9 593 593 A H G > S+ 0 0 19 -6,-0.4 3,-0.8 -3,-0.3 -1,-0.3 0.712 87.9 63.8 -61.8 -22.7 46.8 32.5 77.4 594 594 A A G X S+ 0 0 1 -3,-2.7 -339,-0.7 1,-0.2 3,-0.7 0.639 89.2 68.1 -75.7 -15.5 45.3 32.1 80.9 595 595 A W G X> S+ 0 0 2 -3,-1.7 4,-2.1 -4,-0.3 3,-1.8 0.519 70.4 93.0 -84.9 -4.6 41.7 31.5 79.6 596 596 A T H <> S+ 0 0 29 -3,-0.8 4,-0.8 1,-0.3 -1,-0.2 0.607 72.6 69.4 -65.8 -14.1 42.5 28.1 78.0 597 597 A T H <4 S+ 0 0 26 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.1 0.717 112.4 30.8 -74.8 -21.1 41.3 26.4 81.2 598 598 A D H <4 S+ 0 0 0 -3,-1.8 -78,-3.5 2,-0.1 -2,-0.2 0.798 137.1 22.6 -97.8 -41.8 37.8 27.5 80.3 599 599 A Y H < S- 0 0 0 -4,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.797 95.0-130.5 -98.2 -34.4 38.0 27.5 76.5 600 600 A G < - 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