==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-APR-99 1QFS . COMPND 2 MOLECULE: PROTEIN (PROLYL OLIGOPEPTIDASE); . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR V.FULOP . 710 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28276.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 485 68.3 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 . 161 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 . 3 0.4 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 . 73 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 1 1 0 0 1 0 2 1 0 0 1 0 1 0 1 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 4 3 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 0 103 0, 0.0 2,-1.8 0, 0.0 667,-0.1 0.000 360.0 360.0 360.0 -69.2 18.5 54.2 60.4 2 2 A L + 0 0 60 665,-0.3 666,-0.0 1,-0.1 2,-0.0 -0.556 360.0 156.2 -78.4 82.1 21.8 53.5 58.6 3 3 A S + 0 0 98 -2,-1.8 2,-0.3 2,-0.0 -1,-0.1 -0.265 57.5 61.7-100.0 41.2 22.5 56.9 57.2 4 4 A F S S- 0 0 52 -2,-0.0 2,-0.4 0, 0.0 45,-0.0 -0.879 77.1-120.1-149.8 179.4 26.2 56.2 57.0 5 5 A Q - 0 0 162 -2,-0.3 3,-0.1 3,-0.0 -2,-0.0 -0.992 32.1-112.1-132.4 134.4 28.7 53.8 55.4 6 6 A Y - 0 0 41 -2,-0.4 40,-0.1 1,-0.1 3,-0.1 -0.400 45.8 -92.9 -64.4 147.0 31.0 51.5 57.2 7 7 A P - 0 0 28 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.225 39.1-105.8 -59.7 145.4 34.8 52.4 56.9 8 8 A D - 0 0 165 -3,-0.1 2,-0.5 1,-0.0 37,-0.1 -0.688 43.1-169.6 -76.1 117.6 36.8 50.7 54.2 9 9 A V - 0 0 32 -2,-0.6 2,-0.1 645,-0.1 -3,-0.0 -0.968 19.7-123.8-115.6 123.6 38.9 48.1 56.0 10 10 A Y - 0 0 163 -2,-0.5 2,-0.5 1,-0.1 -2,-0.0 -0.396 19.3-148.1 -66.4 136.2 41.8 46.3 54.3 11 11 A R - 0 0 47 -2,-0.1 2,-1.3 17,-0.1 17,-0.2 -0.922 3.6-149.6-108.7 120.8 41.6 42.5 54.3 12 12 A D > - 0 0 46 15,-2.2 3,-1.5 -2,-0.5 14,-0.3 -0.758 16.9-179.0 -90.1 91.8 44.9 40.7 54.3 13 13 A E T 3 S+ 0 0 108 -2,-1.3 -1,-0.2 1,-0.3 15,-0.1 0.550 76.8 64.4 -69.0 -8.1 43.8 37.6 52.4 14 14 A T T 3 S+ 0 0 113 13,-0.1 2,-1.5 1,-0.1 -1,-0.3 0.619 74.1 101.3 -88.8 -14.7 47.3 36.1 52.8 15 15 A A < + 0 0 20 -3,-1.5 11,-3.3 12,-0.0 2,-0.4 -0.544 48.0 144.7 -76.8 93.7 46.9 35.9 56.6 16 16 A I E -A 25 0A 91 -2,-1.5 2,-0.3 9,-0.3 9,-0.2 -0.986 27.2-168.3-135.6 129.6 46.2 32.3 56.9 17 17 A Q E -A 24 0A 74 7,-2.9 7,-2.6 -2,-0.4 2,-0.5 -0.940 19.0-126.3-124.2 150.8 47.4 30.1 59.8 18 18 A D E -A 23 0A 84 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.860 18.8-174.3-100.9 125.9 47.4 26.4 60.3 19 19 A Y E > S-A 22 0A 12 3,-3.2 3,-2.2 -2,-0.5 584,-0.0 -0.845 75.3 -48.0-118.8 88.5 45.8 24.9 63.4 20 20 A H T 3 S- 0 0 73 -2,-0.6 3,-0.1 1,-0.3 -1,-0.1 0.904 121.9 -37.4 52.1 48.3 46.4 21.2 63.4 21 21 A G T 3 S+ 0 0 53 1,-0.2 2,-0.7 0, 0.0 -1,-0.3 0.227 118.3 112.3 91.3 -17.0 45.4 20.8 59.7 22 22 A H E < -A 19 0A 79 -3,-2.2 -3,-3.2 2,-0.0 2,-0.5 -0.832 57.5-152.5 -92.6 116.1 42.6 23.4 60.1 23 23 A K E -A 18 0A 135 -2,-0.7 2,-0.4 -5,-0.2 -5,-0.2 -0.770 14.7-175.9 -92.5 127.9 43.4 26.5 58.0 24 24 A V E -A 17 0A 13 -7,-2.6 -7,-2.9 -2,-0.5 2,-0.3 -0.994 17.0-141.2-127.0 133.7 42.0 29.7 59.3 25 25 A C E -A 16 0A 73 -2,-0.4 -9,-0.3 -9,-0.2 -12,-0.1 -0.720 11.5-172.0 -89.8 145.4 42.2 33.1 57.6 26 26 A D > + 0 0 14 -11,-3.3 3,-2.2 -2,-0.3 4,-0.2 -0.559 11.1 170.5-137.3 68.1 42.7 36.2 59.8 27 27 A P T 3 S+ 0 0 13 0, 0.0 -15,-2.2 0, 0.0 3,-0.3 0.704 78.6 48.5 -53.8 -25.7 42.3 39.1 57.3 28 28 A Y T > S+ 0 0 4 1,-0.2 3,-2.3 -17,-0.2 4,-0.2 0.120 70.4 120.1-105.5 22.6 42.2 41.7 60.1 29 29 A A G X + 0 0 19 -3,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.757 64.4 71.5 -57.0 -23.2 45.3 40.4 62.0 30 30 A W G > S+ 0 0 63 -3,-0.3 3,-1.4 1,-0.3 -1,-0.3 0.738 81.6 71.3 -67.4 -19.5 46.9 43.8 61.4 31 31 A L G < S+ 0 0 1 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.604 77.1 81.6 -71.6 -9.2 44.5 45.3 63.9 32 32 A E G < S+ 0 0 42 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.697 76.9 78.6 -67.8 -20.1 46.4 43.4 66.6 33 33 A D X - 0 0 78 -3,-1.4 3,-0.9 -4,-0.2 6,-0.3 -0.813 61.2-173.8 -96.5 105.9 49.0 46.2 66.5 34 34 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.1 0, 0.0 167,-0.1 0.688 79.2 57.1 -69.7 -22.6 47.5 49.2 68.6 35 35 A D T 3 S+ 0 0 80 4,-0.1 2,-0.1 165,-0.0 166,-0.0 0.505 80.7 107.0 -90.4 -7.5 50.4 51.6 67.6 36 36 A S S <> S- 0 0 20 -3,-0.9 4,-2.1 -6,-0.2 5,-0.2 -0.369 73.5-127.6 -74.1 155.6 50.1 51.4 63.8 37 37 A E H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.862 110.4 57.2 -66.7 -31.8 48.7 54.3 61.8 38 38 A Q H > S+ 0 0 123 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.903 108.9 42.4 -66.8 -44.9 46.4 51.8 60.1 39 39 A T H > S+ 0 0 4 -6,-0.3 4,-2.6 2,-0.2 5,-0.2 0.885 113.2 53.5 -70.3 -37.1 44.8 50.7 63.4 40 40 A K H X S+ 0 0 102 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.903 110.5 47.1 -64.5 -36.8 44.6 54.2 64.7 41 41 A A H X S+ 0 0 56 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.866 110.1 53.6 -71.1 -36.0 42.8 55.2 61.5 42 42 A F H X S+ 0 0 9 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.924 110.9 45.7 -62.8 -48.6 40.4 52.2 61.8 43 43 A V H X S+ 0 0 31 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.915 113.3 49.8 -61.6 -44.1 39.5 53.3 65.4 44 44 A E H X S+ 0 0 121 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.944 111.9 47.6 -62.4 -45.6 39.0 56.9 64.4 45 45 A A H X S+ 0 0 24 -4,-2.8 4,-0.8 2,-0.2 -1,-0.2 0.842 111.4 51.0 -66.2 -33.9 36.8 56.0 61.4 46 46 A Q H >X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 3,-1.1 0.965 111.8 45.3 -68.2 -50.4 34.7 53.6 63.5 47 47 A N H 3X S+ 0 0 29 -4,-2.4 4,-2.6 1,-0.3 -2,-0.2 0.840 103.6 67.0 -61.3 -31.4 34.0 56.1 66.3 48 48 A K H 3< S+ 0 0 138 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.796 111.3 32.7 -60.9 -31.7 33.3 58.7 63.6 49 49 A I H S+ 0 0 72 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.859 111.3 54.7 -61.7 -32.0 26.8 60.8 65.9 53 53 A F H X S+ 0 0 7 -4,-0.9 4,-0.6 -3,-0.3 3,-0.3 0.908 111.0 44.3 -66.2 -42.1 24.5 57.7 65.8 54 54 A L H < S+ 0 0 4 -4,-1.9 6,-0.2 1,-0.2 -1,-0.2 0.861 116.6 45.3 -71.2 -36.4 24.4 57.5 69.7 55 55 A E H < S+ 0 0 119 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.524 93.8 81.1 -87.6 -5.0 24.0 61.3 70.2 56 56 A Q H < S+ 0 0 114 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.1 0.934 76.7 70.6 -68.0 -50.8 21.2 61.7 67.6 57 57 A C S >< S- 0 0 30 -4,-0.6 3,-2.4 -3,-0.2 4,-0.4 -0.612 79.2-139.7 -73.3 119.5 18.2 60.6 69.6 58 58 A P T >> S+ 0 0 108 0, 0.0 4,-1.6 0, 0.0 3,-1.0 0.686 92.9 84.3 -49.5 -20.4 17.4 63.2 72.3 59 59 A I H 3> S+ 0 0 26 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.830 80.2 62.3 -55.2 -32.7 16.7 60.2 74.6 60 60 A R H <> S+ 0 0 26 -3,-2.4 4,-2.8 1,-0.2 -1,-0.3 0.900 104.3 47.4 -61.3 -39.4 20.5 60.0 75.3 61 61 A G H <> S+ 0 0 44 -3,-1.0 4,-2.1 -4,-0.4 -1,-0.2 0.871 112.8 48.9 -68.3 -37.3 20.3 63.5 76.8 62 62 A L H X S+ 0 0 68 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.909 114.5 44.7 -68.2 -43.9 17.2 62.5 78.9 63 63 A Y H X S+ 0 0 0 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.937 112.7 51.4 -66.5 -46.9 18.8 59.3 80.2 64 64 A K H X S+ 0 0 75 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.916 113.1 44.7 -56.6 -47.4 22.2 61.1 80.9 65 65 A E H X S+ 0 0 111 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.916 114.6 48.6 -63.1 -45.2 20.5 63.8 82.9 66 66 A R H X S+ 0 0 58 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.873 112.5 48.9 -63.9 -37.5 18.2 61.3 84.8 67 67 A M H X S+ 0 0 4 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.922 108.3 53.5 -68.5 -41.7 21.3 59.1 85.5 68 68 A T H < S+ 0 0 45 -4,-2.5 4,-0.5 -5,-0.2 -2,-0.2 0.880 113.8 44.2 -61.3 -36.4 23.2 62.1 86.8 69 69 A E H >< S+ 0 0 110 -4,-1.9 3,-0.6 2,-0.2 -2,-0.2 0.964 119.0 39.0 -72.8 -52.9 20.3 62.9 89.2 70 70 A L H 3< S+ 0 0 6 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.818 113.4 54.7 -68.8 -33.8 19.6 59.4 90.4 71 71 A Y T 3< S+ 0 0 49 -4,-3.0 2,-1.8 -5,-0.2 -1,-0.2 0.657 85.1 95.1 -73.9 -16.0 23.3 58.4 90.7 72 72 A D < + 0 0 81 -3,-0.6 22,-0.1 -4,-0.5 -1,-0.1 -0.570 58.8 114.5 -79.4 82.3 23.9 61.4 92.9 73 73 A Y S S- 0 0 21 -2,-1.8 2,-0.2 20,-0.4 354,-0.1 -0.979 75.6 -81.6-148.2 152.5 23.6 59.8 96.3 74 74 A P - 0 0 34 0, 0.0 2,-0.6 0, 0.0 18,-0.2 -0.415 41.7-167.6 -58.3 121.6 26.0 59.2 99.2 75 75 A K E +B 91 0B 41 16,-2.4 16,-2.0 -2,-0.2 2,-0.3 -0.940 11.3 175.0-119.2 107.2 28.1 56.0 98.6 76 76 A Y E -B 90 0B 42 -2,-0.6 14,-0.2 14,-0.2 2,-0.2 -0.752 19.1-147.6-109.7 157.5 30.0 54.8 101.7 77 77 A S - 0 0 10 12,-2.0 2,-0.1 -2,-0.3 307,-0.1 -0.530 45.9 -72.2-107.8 179.8 32.1 51.6 102.2 78 78 A C - 0 0 8 -2,-0.2 11,-0.3 307,-0.1 2,-0.2 -0.459 49.4-112.5 -73.5 149.8 32.3 49.8 105.5 79 79 A H - 0 0 7 9,-0.1 2,-0.3 -2,-0.1 9,-0.2 -0.564 39.0-170.0 -74.9 146.3 34.3 51.5 108.3 80 80 A F E -C 87 0B 16 7,-2.7 7,-2.6 -2,-0.2 2,-0.4 -0.991 14.8-133.8-143.4 136.6 37.5 49.5 109.1 81 81 A K E +C 86 0B 70 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.747 22.1 174.3 -94.3 137.8 39.9 49.9 111.9 82 82 A K E > -C 85 0B 57 3,-2.7 3,-1.7 -2,-0.4 2,-0.2 -0.953 67.1 -36.4-139.9 114.4 43.7 50.0 111.5 83 83 A G T 3 S- 0 0 24 51,-0.4 53,-0.2 -2,-0.4 54,-0.1 -0.489 123.8 -27.3 69.4-135.7 45.8 50.8 114.5 84 84 A K T 3 S+ 0 0 133 51,-0.3 2,-0.3 -2,-0.2 -1,-0.3 0.398 124.8 77.2 -93.8 4.0 44.0 53.3 116.7 85 85 A R E < -C 82 0B 5 -3,-1.7 -3,-2.7 51,-0.1 2,-0.3 -0.770 68.4-133.3-117.5 159.1 42.1 54.9 113.8 86 86 A Y E -CD 81 103B 21 17,-3.1 17,-1.7 -2,-0.3 2,-0.3 -0.808 20.7-168.0-106.2 151.0 39.1 54.1 111.6 87 87 A F E +CD 80 102B 0 -7,-2.6 -7,-2.7 -2,-0.3 2,-0.3 -0.941 11.3 164.0-137.1 154.0 38.9 54.4 107.9 88 88 A Y E - D 0 101B 23 13,-1.1 13,-2.8 -2,-0.3 2,-0.3 -0.944 32.4-120.4-165.9 149.9 36.2 54.3 105.2 89 89 A F E + D 0 100B 10 -11,-0.3 -12,-2.0 -2,-0.3 2,-0.3 -0.763 34.1 179.5 -95.5 146.5 35.7 55.2 101.6 90 90 A Y E -BD 76 99B 41 9,-2.3 9,-2.8 -2,-0.3 2,-0.5 -0.990 21.3-168.2-153.5 136.4 33.1 57.8 100.7 91 91 A N E -B 75 0B 9 -16,-2.0 -16,-2.4 -2,-0.3 7,-0.1 -0.996 19.2-146.9-123.9 119.5 31.7 59.5 97.6 92 92 A T - 0 0 63 -2,-0.5 -1,-0.1 -18,-0.2 -16,-0.1 0.742 65.6 -79.1 -57.9 -23.4 29.5 62.5 98.2 93 93 A G S S+ 0 0 0 -18,-0.1 -20,-0.4 -21,-0.1 -1,-0.1 -0.261 115.3 26.5 160.4 -63.6 27.6 61.5 95.0 94 94 A L S S+ 0 0 60 -22,-0.1 2,-0.1 3,-0.0 593,-0.1 0.063 75.8 132.7-117.9 19.4 29.1 62.4 91.7 95 95 A Q - 0 0 51 1,-0.1 591,-0.2 591,-0.1 3,-0.1 -0.505 61.6-126.7 -68.6 146.5 32.9 62.6 92.5 96 96 A N S S+ 0 0 36 589,-0.2 590,-1.1 1,-0.1 2,-0.4 0.850 92.8 22.5 -63.7 -35.6 34.9 60.7 89.9 97 97 A Q S S- 0 0 22 588,-0.2 20,-0.2 589,-0.1 -1,-0.1 -0.980 87.7-113.0-133.2 141.6 36.7 58.6 92.5 98 98 A R - 0 0 125 -2,-0.4 2,-0.3 -7,-0.1 -7,-0.2 -0.398 35.9-127.6 -71.1 154.0 35.6 57.8 96.1 99 99 A V E -D 90 0B 1 -9,-2.8 -9,-2.3 16,-0.1 2,-0.6 -0.806 7.1-127.1-107.7 146.7 37.8 59.3 98.8 100 100 A L E -DE 89 114B 2 14,-2.7 13,-3.3 -2,-0.3 14,-2.0 -0.836 30.4-169.6 -95.0 122.1 39.5 57.6 101.8 101 101 A Y E -DE 88 112B 33 -13,-2.8 -13,-1.1 -2,-0.6 2,-0.3 -0.660 6.7-158.4-106.9 163.9 38.7 59.3 105.1 102 102 A V E +DE 87 111B 3 9,-2.3 9,-2.5 -2,-0.2 2,-0.3 -0.974 9.7 178.4-140.5 149.3 40.2 58.8 108.5 103 103 A Q E -D 86 0B 12 -17,-1.7 -17,-3.1 -2,-0.3 7,-0.2 -0.938 27.2-142.9-153.3 131.7 38.9 59.5 112.1 104 104 A D S S+ 0 0 86 5,-0.4 2,-0.3 -2,-0.3 6,-0.1 0.620 90.6 32.1 -70.4 -14.3 40.7 58.8 115.4 105 105 A S S S- 0 0 53 4,-0.1 3,-0.2 -19,-0.1 -19,-0.1 -0.989 77.5-124.8-143.6 151.0 37.4 57.8 117.0 106 106 A L S S+ 0 0 48 -2,-0.3 -1,-0.1 1,-0.3 4,-0.1 0.852 121.2 35.7 -63.0 -32.9 34.2 56.2 115.8 107 107 A E S S+ 0 0 191 2,-0.1 -1,-0.3 -3,-0.1 3,-0.1 0.479 103.7 103.3 -96.4 -8.5 32.4 59.2 117.2 108 108 A G S S- 0 0 27 -3,-0.2 2,-0.3 1,-0.1 0, 0.0 -0.227 84.4 -87.8 -72.9 166.9 35.2 61.6 116.2 109 109 A E - 0 0 176 1,-0.1 -5,-0.4 -6,-0.0 2,-0.2 -0.574 43.0-134.8 -77.6 130.9 35.2 64.0 113.2 110 110 A A - 0 0 37 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.487 19.4-167.4 -84.5 157.2 36.5 62.4 110.0 111 111 A R E -E 102 0B 103 -9,-2.5 -9,-2.3 -2,-0.2 2,-0.1 -0.973 35.1 -87.3-142.9 150.8 39.0 64.1 107.6 112 112 A V E +E 101 0B 79 -2,-0.3 -11,-0.3 -11,-0.2 3,-0.1 -0.419 40.3 175.6 -59.5 127.3 40.2 63.4 104.1 113 113 A F E S+ 0 0 11 -13,-3.3 2,-0.3 1,-0.3 -12,-0.2 0.831 70.9 1.0 -98.6 -51.3 43.1 60.9 104.2 114 114 A L E -E 100 0B 14 -14,-2.0 -14,-2.7 0, 0.0 -1,-0.3 -0.957 60.9-169.0-145.5 121.8 43.6 60.3 100.5 115 115 A D > - 0 0 40 -2,-0.3 3,-1.2 -16,-0.2 4,-0.2 -0.892 5.5-173.6-115.1 102.0 41.7 62.0 97.6 116 116 A P G > S+ 0 0 4 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.749 76.4 78.6 -65.5 -21.0 42.4 60.4 94.2 117 117 A N G > S+ 0 0 32 1,-0.3 3,-0.7 -20,-0.2 6,-0.3 0.780 88.3 53.8 -60.8 -29.5 40.3 63.2 92.6 118 118 A I G < S+ 0 0 141 -3,-1.2 -1,-0.3 1,-0.2 3,-0.1 0.516 91.7 75.7 -84.6 -2.0 43.1 65.8 92.8 119 119 A L G < S+ 0 0 85 -3,-1.7 2,-0.3 1,-0.2 -1,-0.2 0.582 108.6 14.0 -83.9 -12.1 45.6 63.5 91.0 120 120 A S X - 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0 0 37 -78,-0.4 3,-2.1 -2,-0.2 4,-0.7 -0.949 36.4-104.3-137.0 156.5 9.7 39.4 72.5 545 545 A P G >4 S+ 0 0 45 0, 0.0 3,-0.8 0, 0.0 27,-0.3 0.851 120.3 53.1 -51.9 -38.3 12.8 38.8 70.4 546 546 A K G 34 S+ 0 0 145 1,-0.2 25,-0.1 25,-0.1 24,-0.0 0.588 114.3 43.3 -74.4 -11.6 12.5 42.2 68.7 547 547 A R G <4 S+ 0 0 81 -3,-2.1 -79,-1.9 -81,-0.1 2,-0.4 0.374 93.9 105.9-110.4 -0.2 12.3 43.9 72.1 548 548 A L E << -b 468 0I 0 -3,-0.8 24,-2.4 -4,-0.7 25,-2.1 -0.715 44.7-173.8 -91.9 130.9 15.1 41.9 73.8 549 549 A T E -bc 469 573I 0 -81,-2.7 -79,-3.2 -2,-0.4 2,-0.4 -0.947 5.5-162.2-120.2 135.2 18.5 43.2 74.6 550 550 A I E -bc 470 574I 0 23,-2.0 25,-2.7 -2,-0.4 2,-0.3 -0.953 9.5-177.2-118.8 140.3 21.4 41.1 75.9 551 551 A N E +bc 471 575I 8 -81,-2.0 -79,-1.3 -2,-0.4 2,-0.3 -0.980 9.5 158.4-136.6 147.3 24.5 42.5 77.6 552 552 A G E - c 0 576I 0 23,-1.3 25,-2.5 -2,-0.3 2,-0.4 -0.956 24.4-139.1-163.6 152.5 27.6 41.0 79.0 553 553 A G E > - c 0 577I 15 -81,-0.4 3,-2.7 -2,-0.3 2,-0.5 -0.967 64.3 -29.7-125.6 140.0 31.2 42.1 79.8 554 554 A S T >> S+ 0 0 15 23,-2.6 4,-1.7 -2,-0.4 26,-1.2 -0.464 145.7 11.7 61.9-110.2 34.5 40.5 79.2 555 555 A N H 3> S+ 0 0 0 -2,-0.5 4,-1.7 1,-0.3 -1,-0.3 0.828 136.3 51.9 -65.2 -26.0 33.7 36.7 79.5 556 556 A G H <> S+ 0 0 0 -3,-2.7 4,-2.2 2,-0.2 -1,-0.3 0.701 101.7 60.1 -80.0 -20.1 30.1 37.9 79.3 557 557 A G H <> S+ 0 0 0 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.893 105.5 47.0 -70.9 -40.9 31.1 39.9 76.2 558 558 A L H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.914 109.6 57.2 -63.5 -43.1 32.1 36.5 74.6 559 559 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.938 111.4 38.4 -53.1 -55.7 28.7 35.2 75.9 560 560 A V H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.847 115.9 52.0 -69.0 -34.6 26.6 37.8 74.1 561 561 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 3,-0.4 0.947 111.5 46.9 -67.2 -46.9 28.7 37.9 70.9 562 562 A T H X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.2 3,-0.3 0.934 110.1 53.4 -60.7 -42.8 28.5 34.1 70.6 563 563 A C H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.815 104.7 55.9 -64.2 -26.1 24.8 34.2 71.2 564 564 A A H < S+ 0 0 0 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.889 111.0 44.0 -70.6 -39.3 24.4 36.7 68.4 565 565 A N H < S+ 0 0 21 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.901 120.1 40.5 -71.0 -42.7 26.1 34.4 66.0 566 566 A Q H < S+ 0 0 59 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.890 132.8 17.1 -76.5 -40.5 24.2 31.3 67.1 567 567 A R >X + 0 0 57 -4,-2.5 3,-1.8 -5,-0.2 4,-0.6 -0.503 62.7 156.6-134.2 68.1 20.8 32.7 67.5 568 568 A P G >4 S+ 0 0 15 0, 0.0 3,-0.5 0, 0.0 61,-0.1 0.789 76.9 63.1 -62.7 -22.6 20.5 36.1 65.7 569 569 A D G 34 S+ 0 0 72 1,-0.2 -5,-0.1 -3,-0.1 61,-0.0 0.585 94.6 61.0 -77.4 -12.1 16.7 35.5 65.6 570 570 A L G <4 S+ 0 0 11 -3,-1.8 2,-0.4 -7,-0.2 -1,-0.2 0.716 100.1 55.5 -90.3 -18.3 16.4 35.6 69.4 571 571 A F << - 0 0 8 -4,-0.6 -22,-0.2 -3,-0.5 -25,-0.1 -0.891 47.9-167.7-124.3 147.9 17.6 39.1 70.1 572 572 A G S S+ 0 0 10 -24,-2.4 60,-2.0 -2,-0.4 2,-0.3 0.820 84.9 13.3 -94.5 -33.4 16.8 42.6 69.0 573 573 A C E -cd 549 632I 0 -25,-2.1 -23,-2.0 58,-0.2 2,-0.4 -0.997 60.5-166.1-147.2 141.2 19.9 44.2 70.4 574 574 A V E -cd 550 633I 0 58,-2.3 60,-2.2 -2,-0.3 2,-0.5 -0.999 0.7-169.6-130.7 129.6 23.3 43.0 71.7 575 575 A I E -cd 551 634I 0 -25,-2.7 -23,-1.3 -2,-0.4 2,-0.7 -0.949 7.5-171.2-121.8 107.0 25.7 45.1 73.7 576 576 A A E -cd 552 635I 0 58,-2.0 60,-2.0 -2,-0.5 2,-0.4 -0.889 5.7-161.6-105.2 112.8 29.1 43.4 74.2 577 577 A Q E -cd 553 636I 28 -25,-2.5 -23,-2.6 -2,-0.7 -20,-0.2 -0.758 65.3 -27.3 -95.9 136.4 31.4 45.2 76.6 578 578 A V S S+ 0 0 17 58,-3.0 -1,-0.2 -2,-0.4 -21,-0.2 0.753 91.8 178.9 29.0 50.8 35.2 44.5 76.6 579 579 A G - 0 0 0 -3,-0.3 2,-0.8 57,-0.3 -24,-0.2 -0.418 39.0-119.0 -87.5 155.4 34.7 41.0 75.3 580 580 A V + 0 0 2 -26,-1.2 3,-0.1 1,-0.2 -1,-0.1 -0.796 44.6 159.3 -86.2 111.2 37.0 38.2 74.4 581 581 A M + 0 0 0 -2,-0.8 36,-2.2 1,-0.2 2,-1.1 0.750 55.3 63.3-106.7 -36.5 36.3 37.7 70.7 582 582 A D >> + 0 0 0 34,-0.2 4,-1.4 1,-0.2 3,-0.7 -0.795 56.9 175.9 -94.6 94.1 39.2 35.9 69.2 583 583 A M T 34 S+ 0 0 0 -2,-1.1 19,-0.3 1,-0.2 4,-0.2 0.578 76.4 59.1 -75.0 -10.0 39.2 32.5 71.1 584 584 A L T 34 S+ 0 0 0 1,-0.1 -1,-0.2 17,-0.1 18,-0.1 0.669 119.0 25.6 -90.0 -19.9 42.1 31.2 69.0 585 585 A K T X4 S+ 0 0 16 -3,-0.7 3,-2.4 1,-0.1 4,-0.4 0.490 84.7 105.6-123.4 -2.9 44.5 34.0 70.0 586 586 A F G >< S+ 0 0 1 -4,-1.4 3,-0.8 1,-0.3 6,-0.2 0.783 77.9 61.0 -48.4 -35.6 43.3 35.3 73.4 587 587 A H G 3 S+ 0 0 25 1,-0.2 6,-0.4 -4,-0.2 -1,-0.3 0.628 91.1 69.0 -69.0 -18.4 46.2 33.5 75.2 588 588 A K G < S+ 0 0 83 -3,-2.4 -384,-0.3 4,-0.2 2,-0.3 0.721 89.5 71.2 -73.6 -26.3 48.9 35.5 73.4 589 589 A Y S X S- 0 0 20 -3,-0.8 3,-2.5 -4,-0.4 4,-0.4 -0.706 102.3 -52.7-103.8 151.8 48.2 38.9 75.0 590 590 A T T 3 S- 0 0 1 -388,-2.1 -385,-2.5 -2,-0.3 3,-0.3 0.092 121.2 -13.6 29.7-109.1 48.8 40.4 78.4 591 591 A I T > S+ 0 0 11 51,-0.5 3,-2.5 52,-0.3 4,-0.4 0.401 102.3 113.3-100.7 7.3 47.2 38.1 81.1 592 592 A G G X + 0 0 0 -3,-2.5 3,-1.7 1,-0.3 4,-0.3 0.753 62.3 71.3 -49.3 -31.7 45.2 36.1 78.5 593 593 A H G > S+ 0 0 17 -6,-0.4 3,-1.1 -4,-0.4 -1,-0.3 0.784 88.8 63.6 -58.1 -28.7 47.3 32.9 79.2 594 594 A A G X S+ 0 0 5 -3,-2.5 -339,-0.9 1,-0.2 3,-0.7 0.700 91.5 64.9 -71.4 -17.6 45.6 32.6 82.6 595 595 A W G X> S+ 0 0 23 -3,-1.7 4,-2.0 -4,-0.4 3,-1.9 0.550 72.7 91.1 -84.9 -5.4 42.2 32.1 81.1 596 596 A T H <> S+ 0 0 33 -3,-1.1 4,-1.3 -4,-0.3 -1,-0.2 0.691 73.5 71.0 -61.9 -19.8 43.1 28.8 79.4 597 597 A T H <4 S+ 0 0 27 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.759 111.3 30.7 -67.8 -23.4 41.8 27.0 82.6 598 598 A D H <4 S+ 0 0 1 -3,-1.9 -78,-3.3 2,-0.1 -2,-0.2 0.796 136.6 23.7 -99.9 -40.1 38.3 28.0 81.5 599 599 A Y H < S- 0 0 2 -4,-2.0 -3,-0.2 1,-0.3 2,-0.2 0.755 94.2-134.7 -98.9 -31.2 38.6 28.0 77.7 600 600 A G < - 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