==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-AUG-02 1H2W . COMPND 2 MOLECULE: PROLYL ENDOPEPTIDASE; . 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) . 28404.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 475 66.9 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 . 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 . 65 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 14.8 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 0 1 0 0 0 2 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 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 0 107 0, 0.0 2,-1.0 0, 0.0 666,-0.0 0.000 360.0 360.0 360.0 -4.3 18.3 54.4 60.1 2 2 A L + 0 0 57 1,-0.1 666,-0.0 666,-0.0 0, 0.0 -0.760 360.0 161.9 -94.3 96.0 22.0 54.0 58.9 3 3 A S + 0 0 103 -2,-1.0 2,-0.3 2,-0.0 -1,-0.1 0.119 55.1 70.3 -95.4 16.5 23.3 57.4 57.9 4 4 A F S S- 0 0 47 49,-0.0 2,-0.4 45,-0.0 45,-0.0 -0.824 70.1-130.8-130.3 171.2 26.9 56.5 58.1 5 5 A Q - 0 0 146 -2,-0.3 -2,-0.0 0, 0.0 44,-0.0 -0.958 29.9-112.4-124.9 133.9 29.5 54.4 56.2 6 6 A Y - 0 0 39 -2,-0.4 40,-0.1 1,-0.1 3,-0.1 -0.390 42.1 -98.5 -66.5 145.1 31.8 51.9 57.9 7 7 A P - 0 0 26 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.245 36.5-104.8 -62.9 150.2 35.6 52.7 57.8 8 8 A D - 0 0 153 2,-0.0 2,-0.4 1,-0.0 37,-0.1 -0.680 41.8-173.6 -78.0 125.2 37.8 51.2 55.2 9 9 A V - 0 0 30 -2,-0.5 2,-0.1 645,-0.1 -3,-0.0 -0.981 22.1-124.3-127.6 118.6 39.9 48.5 56.9 10 10 A Y - 0 0 164 -2,-0.4 2,-0.6 1,-0.1 -2,-0.0 -0.367 18.3-145.0 -62.9 138.0 42.7 46.7 55.1 11 11 A R - 0 0 51 -2,-0.1 2,-1.5 17,-0.1 17,-0.2 -0.903 1.1-151.7-107.5 114.1 42.5 42.9 55.0 12 12 A D > + 0 0 43 15,-2.8 3,-1.4 -2,-0.6 14,-0.2 -0.700 17.5 179.6 -85.2 90.8 45.8 41.1 55.1 13 13 A E T 3 S+ 0 0 104 -2,-1.5 -1,-0.2 1,-0.3 15,-0.1 0.528 74.8 64.7 -69.5 -7.6 44.8 38.0 53.2 14 14 A T T 3 S+ 0 0 114 13,-0.1 2,-1.8 1,-0.1 -1,-0.3 0.597 72.6 102.5 -89.6 -14.0 48.3 36.5 53.5 15 15 A A < + 0 0 21 -3,-1.4 11,-3.2 12,-0.0 2,-0.4 -0.527 48.8 146.9 -73.3 85.8 47.9 36.2 57.3 16 16 A I E -A 25 0A 93 -2,-1.8 2,-0.3 9,-0.2 9,-0.2 -0.987 24.7-172.3-126.9 132.1 47.2 32.5 57.5 17 17 A Q E -A 24 0A 76 7,-2.8 7,-3.3 -2,-0.4 2,-0.6 -0.939 21.1-127.7-125.9 147.0 48.2 30.2 60.4 18 18 A D E -A 23 0A 77 -2,-0.3 2,-0.7 5,-0.2 5,-0.2 -0.839 19.1-172.9 -97.9 121.3 48.1 26.5 60.8 19 19 A Y E > S-A 22 0A 12 3,-2.9 3,-2.6 -2,-0.6 584,-0.1 -0.896 76.0 -43.5-113.9 95.7 46.4 25.2 63.9 20 20 A H T 3 S- 0 0 80 -2,-0.7 -1,-0.1 1,-0.3 3,-0.1 0.850 123.9 -39.6 51.8 40.2 46.9 21.4 64.1 21 21 A G T 3 S+ 0 0 56 1,-0.2 2,-0.7 0, 0.0 -1,-0.3 0.035 117.1 113.5 100.4 -25.9 46.0 21.1 60.4 22 22 A H E < -A 19 0A 89 -3,-2.6 -3,-2.9 1,-0.0 2,-0.4 -0.711 61.9-142.0 -84.6 112.9 43.3 23.7 60.5 23 23 A K E -A 18 0A 134 -2,-0.7 2,-0.5 -5,-0.2 -5,-0.2 -0.628 18.6-168.3 -77.8 125.4 44.2 26.8 58.4 24 24 A V E -A 17 0A 11 -7,-3.3 -7,-2.8 -2,-0.4 2,-0.4 -0.972 9.3-150.4-119.4 123.4 43.0 30.0 60.1 25 25 A C E -A 16 0A 75 -2,-0.5 -9,-0.2 -9,-0.2 3,-0.1 -0.762 11.8-176.6 -92.0 136.2 43.1 33.4 58.3 26 26 A D > + 0 0 15 -11,-3.2 3,-2.0 -2,-0.4 4,-0.2 -0.552 8.4 170.3-133.3 72.1 43.5 36.4 60.5 27 27 A P T 3 S+ 0 0 13 0, 0.0 -15,-2.8 0, 0.0 3,-0.3 0.619 78.8 49.2 -57.6 -21.7 43.3 39.4 58.0 28 28 A Y T > S+ 0 0 5 -17,-0.2 3,-2.3 1,-0.2 4,-0.2 0.103 70.4 119.6-107.1 21.0 43.1 42.0 60.9 29 29 A A G X + 0 0 19 -3,-2.0 3,-2.0 1,-0.3 -1,-0.2 0.784 64.9 70.3 -55.3 -29.5 46.2 40.6 62.8 30 30 A W G > S+ 0 0 62 1,-0.3 3,-1.7 -3,-0.3 -1,-0.3 0.740 81.5 72.8 -63.4 -19.2 47.8 44.0 62.3 31 31 A L G < S+ 0 0 2 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.560 76.9 80.5 -72.0 -5.7 45.4 45.5 64.7 32 32 A E G < S+ 0 0 41 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.642 76.9 78.9 -72.6 -16.5 47.3 43.7 67.4 33 33 A D X - 0 0 77 -3,-1.7 3,-0.6 1,-0.1 6,-0.2 -0.831 61.5-173.9 -95.5 107.5 49.8 46.5 67.3 34 34 A P T 3 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 167,-0.1 0.710 79.1 56.0 -73.7 -17.5 48.3 49.4 69.3 35 35 A D T 3 S+ 0 0 78 4,-0.1 166,-0.0 5,-0.0 -2,-0.0 0.622 80.1 106.9 -90.6 -14.5 51.2 51.8 68.3 36 36 A S S <> S- 0 0 19 -3,-0.6 4,-2.4 -6,-0.2 5,-0.2 -0.265 74.7-125.5 -67.0 153.9 51.0 51.7 64.5 37 37 A E H > S+ 0 0 132 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.862 112.4 57.3 -65.0 -32.4 49.6 54.5 62.5 38 38 A Q H > S+ 0 0 123 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.916 108.7 42.5 -65.3 -46.1 47.3 52.0 60.9 39 39 A T H > S+ 0 0 4 -6,-0.2 4,-2.5 2,-0.2 5,-0.2 0.919 113.8 52.5 -69.7 -37.7 45.7 50.9 64.2 40 40 A K H X S+ 0 0 103 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.932 110.8 47.7 -61.8 -45.2 45.5 54.5 65.4 41 41 A A H X S+ 0 0 58 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.878 109.4 54.0 -63.6 -37.0 43.7 55.5 62.3 42 42 A F H X S+ 0 0 9 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.941 110.1 46.1 -62.7 -48.3 41.4 52.6 62.6 43 43 A V H X S+ 0 0 31 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.929 112.7 50.7 -60.6 -44.8 40.4 53.6 66.2 44 44 A E H X S+ 0 0 133 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.939 111.5 47.7 -59.6 -45.8 39.9 57.2 65.1 45 45 A A H X S+ 0 0 35 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.845 111.6 49.6 -66.2 -36.8 37.7 56.3 62.2 46 46 A Q H >X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 3,-1.0 0.945 111.9 46.7 -68.4 -47.8 35.5 53.9 64.3 47 47 A N H 3X S+ 0 0 27 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.823 102.7 68.2 -63.3 -29.4 35.0 56.5 67.1 48 48 A K H 3< S+ 0 0 151 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.812 110.7 31.2 -59.1 -35.2 34.2 59.0 64.3 49 49 A I H S+ 0 0 76 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.835 112.6 52.9 -61.0 -29.0 27.5 61.0 66.5 53 53 A F H < S+ 0 0 7 -4,-1.1 4,-0.5 -3,-0.4 3,-0.4 0.946 111.4 44.1 -69.0 -47.0 25.3 57.9 66.4 54 54 A L H < S+ 0 0 5 -4,-2.5 3,-0.2 1,-0.2 6,-0.2 0.846 119.7 42.6 -67.1 -33.6 25.1 57.7 70.2 55 55 A E H < S+ 0 0 106 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.540 88.8 87.4 -94.3 -6.9 24.6 61.4 70.6 56 56 A Q S < S+ 0 0 119 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.1 0.886 78.4 68.7 -59.4 -45.0 22.1 62.1 67.9 57 57 A C S > S- 0 0 37 -4,-0.5 3,-1.9 -3,-0.2 4,-0.4 -0.674 80.9-134.0 -84.1 133.2 19.0 61.3 69.9 58 58 A P T 3> S+ 0 0 109 0, 0.0 4,-1.6 0, 0.0 3,-0.5 0.692 96.1 81.3 -53.0 -24.1 18.0 63.7 72.8 59 59 A I H 3> S+ 0 0 18 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.787 80.0 62.6 -60.9 -24.8 17.5 60.7 75.0 60 60 A R H <> S+ 0 0 21 -3,-1.9 4,-3.0 1,-0.2 -1,-0.2 0.947 107.1 45.1 -64.8 -43.6 21.2 60.3 75.8 61 61 A G H > S+ 0 0 43 -3,-0.5 4,-2.2 -4,-0.4 -1,-0.2 0.845 111.9 51.6 -65.9 -36.9 21.1 63.7 77.4 62 62 A L H X S+ 0 0 62 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.950 113.6 44.7 -64.4 -46.8 17.9 62.8 79.3 63 63 A Y H X S+ 0 0 2 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.935 113.0 50.1 -62.6 -48.6 19.5 59.6 80.6 64 64 A K H X S+ 0 0 77 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.897 111.5 49.2 -57.9 -42.5 22.8 61.4 81.5 65 65 A E H X S+ 0 0 135 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.938 113.8 44.9 -63.7 -45.8 20.9 64.1 83.4 66 66 A R H X S+ 0 0 42 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.893 113.8 50.5 -66.9 -38.0 18.8 61.6 85.3 67 67 A M H X S+ 0 0 5 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.919 109.3 50.5 -65.9 -42.8 21.8 59.4 86.0 68 68 A T H < S+ 0 0 47 -4,-2.7 4,-0.4 -5,-0.2 -1,-0.2 0.865 115.4 44.9 -62.9 -36.0 23.8 62.4 87.3 69 69 A E H >< S+ 0 0 107 -4,-1.9 3,-0.7 -5,-0.2 -2,-0.2 0.971 118.8 38.3 -71.1 -57.2 20.8 63.2 89.6 70 70 A L H 3< S+ 0 0 2 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.816 113.3 54.7 -66.7 -34.0 20.1 59.8 90.9 71 71 A Y T 3< S+ 0 0 55 -4,-2.7 2,-1.9 -5,-0.3 -1,-0.2 0.645 84.2 96.8 -75.3 -13.4 23.7 58.6 91.3 72 72 A D < + 0 0 86 -3,-0.7 -1,-0.1 -4,-0.4 22,-0.1 -0.543 56.4 115.7 -79.1 79.8 24.3 61.7 93.4 73 73 A Y S S- 0 0 32 -2,-1.9 2,-0.1 20,-0.4 354,-0.1 -0.984 74.7 -87.8-144.4 148.5 24.0 60.1 96.8 74 74 A P - 0 0 48 0, 0.0 2,-0.5 0, 0.0 18,-0.2 -0.392 40.9-163.2 -61.5 128.8 26.4 59.6 99.7 75 75 A K E +B 91 0B 39 16,-2.5 16,-2.1 -2,-0.1 2,-0.3 -0.965 10.5 179.9-119.9 116.7 28.4 56.3 99.3 76 76 A Y E -B 90 0B 59 -2,-0.5 2,-0.3 14,-0.2 14,-0.2 -0.789 18.2-146.8-114.8 156.6 30.2 54.9 102.4 77 77 A S - 0 0 12 12,-2.1 3,-0.1 -2,-0.3 330,-0.1 -0.687 46.2 -78.0-108.5 169.1 32.4 51.9 103.0 78 78 A C - 0 0 10 -2,-0.3 11,-0.3 1,-0.1 2,-0.1 -0.360 49.2-109.5 -65.5 148.3 32.4 50.1 106.3 79 79 A H - 0 0 3 9,-0.1 2,-0.3 307,-0.1 9,-0.2 -0.476 39.2-171.5 -71.7 151.1 34.4 51.7 109.1 80 80 A F E -C 87 0B 24 7,-2.2 7,-2.7 -2,-0.1 2,-0.4 -0.987 15.6-132.3-147.7 138.2 37.6 49.7 109.9 81 81 A K E +C 86 0B 73 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.769 20.0 178.7 -97.4 136.8 40.0 50.1 112.8 82 82 A K E > -C 85 0B 58 3,-2.7 3,-1.7 -2,-0.4 2,-0.1 -0.958 67.8 -41.7-134.8 112.0 43.8 50.2 112.3 83 83 A G T 3 S- 0 0 27 -2,-0.4 53,-0.2 51,-0.3 52,-0.0 -0.461 124.2 -22.9 67.2-132.4 45.7 50.8 115.5 84 84 A K T 3 S+ 0 0 127 51,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.205 124.1 77.9 -97.6 17.8 44.0 53.5 117.5 85 85 A R E < -C 82 0B 15 -3,-1.7 -3,-2.7 20,-0.0 2,-0.4 -0.906 66.9-135.1-130.2 154.2 42.2 55.0 114.6 86 86 A Y E -CD 81 103B 23 17,-3.0 17,-2.1 -2,-0.3 2,-0.3 -0.836 21.2-170.7-104.2 146.0 39.1 54.4 112.4 87 87 A F E +CD 80 102B 0 -7,-2.7 -7,-2.2 -2,-0.4 2,-0.3 -0.921 9.6 165.5-133.2 154.5 39.1 54.7 108.6 88 88 A Y E - D 0 101B 23 13,-1.5 13,-3.1 -2,-0.3 2,-0.3 -0.953 31.9-120.0-165.1 148.8 36.4 54.6 106.0 89 89 A F E + D 0 100B 8 -11,-0.3 -12,-2.1 -2,-0.3 2,-0.3 -0.766 34.5 176.6 -92.6 146.7 35.9 55.4 102.3 90 90 A Y E -BD 76 99B 45 9,-2.3 9,-2.5 -2,-0.3 2,-0.5 -0.983 21.4-167.0-156.3 134.8 33.3 58.0 101.4 91 91 A N E -B 75 0B 9 -16,-2.1 -16,-2.5 -2,-0.3 7,-0.1 -0.999 20.1-145.0-122.3 121.1 32.1 59.7 98.2 92 92 A T - 0 0 66 -2,-0.5 -1,-0.1 -18,-0.2 -16,-0.1 0.723 65.4 -81.2 -58.0 -23.2 29.9 62.8 98.8 93 93 A G S S+ 0 0 0 -18,-0.1 -20,-0.4 -21,-0.1 -1,-0.1 -0.190 115.2 29.2 157.0 -57.2 28.0 61.7 95.6 94 94 A L S S+ 0 0 63 -22,-0.1 2,-0.1 3,-0.0 593,-0.1 0.147 75.2 132.4-120.4 16.6 29.7 62.7 92.4 95 95 A Q - 0 0 47 1,-0.1 591,-0.3 591,-0.1 -2,-0.1 -0.468 61.7-127.1 -68.2 143.4 33.4 62.8 93.2 96 96 A N S S+ 0 0 35 589,-0.1 590,-1.4 1,-0.1 2,-0.3 0.856 92.8 23.4 -59.1 -38.2 35.4 61.0 90.6 97 97 A Q S S- 0 0 22 588,-0.2 20,-0.2 589,-0.1 -1,-0.1 -0.966 87.7-110.9-130.5 145.5 37.1 58.9 93.3 98 98 A R - 0 0 129 -2,-0.3 2,-0.4 -7,-0.1 -7,-0.2 -0.434 35.6-129.4 -72.5 150.7 36.1 57.9 96.8 99 99 A V E -D 90 0B 0 -9,-2.5 -9,-2.3 16,-0.1 2,-0.6 -0.851 7.3-129.8-106.7 142.5 38.1 59.5 99.5 100 100 A L E -DE 89 114B 0 14,-2.7 13,-2.9 -2,-0.4 14,-2.2 -0.801 29.5-168.2 -92.8 120.2 39.7 57.8 102.5 101 101 A Y E -DE 88 112B 36 -13,-3.1 -13,-1.5 -2,-0.6 2,-0.3 -0.739 7.6-158.3-107.9 159.0 38.9 59.4 105.9 102 102 A V E +DE 87 111B 2 9,-2.6 9,-2.7 -2,-0.3 2,-0.3 -0.971 9.3 178.4-136.4 145.9 40.3 58.9 109.3 103 103 A Q E -D 86 0B 9 -17,-2.1 -17,-3.0 -2,-0.3 7,-0.1 -0.985 30.2-136.7-146.5 142.5 39.0 59.7 112.8 104 104 A D S S+ 0 0 92 5,-0.4 2,-0.3 -2,-0.3 6,-0.1 0.601 91.2 13.8 -76.0 -11.4 40.5 59.1 116.2 105 105 A S S > S- 0 0 54 4,-0.1 3,-0.9 -19,-0.1 -1,-0.1 -0.976 81.2-107.5-157.8 156.9 37.2 57.7 117.7 106 106 A L T 3 S+ 0 0 57 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.797 125.2 39.9 -58.9 -30.5 33.9 56.5 116.3 107 107 A E T 3 S+ 0 0 199 2,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.526 99.6 108.5 -94.3 -10.5 32.3 59.8 117.6 108 108 A G S < S- 0 0 23 -3,-0.9 2,-0.2 1,-0.1 0, 0.0 -0.181 82.3 -89.6 -70.1 161.6 35.3 61.9 116.6 109 109 A E - 0 0 172 1,-0.1 -5,-0.4 -6,-0.0 2,-0.2 -0.492 45.7-135.7 -69.1 128.2 35.5 64.5 113.8 110 110 A A - 0 0 30 -2,-0.2 2,-0.3 -7,-0.1 -7,-0.2 -0.620 21.6-168.0 -87.6 150.9 36.6 62.7 110.6 111 111 A R E -E 102 0B 94 -9,-2.7 -9,-2.6 -2,-0.2 2,-0.2 -0.948 32.3 -88.5-137.7 155.4 39.3 64.2 108.4 112 112 A V E +E 101 0B 77 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.467 41.8 168.7 -65.3 125.8 40.6 63.6 104.9 113 113 A F E S+ 0 0 11 -13,-2.9 2,-0.3 1,-0.3 -12,-0.2 0.756 72.1 7.6-104.3 -45.7 43.4 61.0 105.0 114 114 A L E -E 100 0B 13 -14,-2.2 -14,-2.7 -12,-0.0 -1,-0.3 -0.894 61.1-176.9-145.4 113.2 43.8 60.2 101.3 115 115 A D > - 0 0 39 -2,-0.3 3,-1.1 -16,-0.2 4,-0.2 -0.865 4.3-176.2-112.6 97.9 42.0 62.1 98.5 116 116 A P G > S+ 0 0 3 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.745 73.5 79.1 -65.3 -20.4 42.8 60.6 95.0 117 117 A N G > S+ 0 0 33 1,-0.3 3,-0.9 -20,-0.2 6,-0.3 0.794 87.1 56.1 -58.1 -32.6 40.8 63.3 93.3 118 118 A I G < S+ 0 0 139 -3,-1.1 -1,-0.3 1,-0.2 3,-0.1 0.566 92.3 73.4 -78.7 -4.9 43.6 65.9 93.6 119 119 A L G < S+ 0 0 83 -3,-1.8 2,-0.3 1,-0.2 -1,-0.2 0.639 111.3 9.9 -82.9 -14.4 46.0 63.5 91.8 120 120 A S X - 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0 0 36 -78,-0.4 3,-2.1 -2,-0.2 4,-0.7 -0.949 36.3-103.4-137.1 155.4 10.3 39.8 72.8 545 545 A P G >4 S+ 0 0 46 0, 0.0 3,-1.5 0, 0.0 27,-0.4 0.898 120.5 51.5 -46.8 -49.0 13.5 39.1 70.7 546 546 A K G 34 S+ 0 0 145 1,-0.3 25,-0.1 25,-0.1 24,-0.0 0.635 113.7 44.3 -66.7 -17.4 13.3 42.5 69.1 547 547 A R G <4 S+ 0 0 82 -3,-2.1 -79,-2.1 -81,-0.1 2,-0.5 0.348 92.8 106.1-106.2 5.3 13.1 44.3 72.5 548 548 A L E << -b 468 0I 0 -3,-1.5 24,-2.7 -4,-0.7 25,-2.1 -0.733 44.6-175.0 -95.1 127.3 15.8 42.1 74.1 549 549 A T E -bc 469 573I 1 -81,-2.5 -79,-2.8 -2,-0.5 2,-0.4 -0.944 7.3-159.9-116.1 135.0 19.3 43.5 74.9 550 550 A I E -bc 470 574I 0 23,-2.1 25,-2.5 -2,-0.4 2,-0.3 -0.914 11.5-177.5-114.5 146.2 22.0 41.3 76.3 551 551 A N E +bc 471 575I 6 -81,-2.2 -79,-1.4 -2,-0.4 2,-0.3 -0.994 11.6 151.2-143.9 147.1 25.1 42.7 78.2 552 552 A G E - c 0 576I 0 23,-1.3 25,-2.5 -2,-0.3 2,-0.4 -0.945 26.6-136.4-167.7 158.3 28.2 41.3 79.7 553 553 A G E > - c 0 577I 15 -81,-0.3 3,-2.6 -2,-0.3 2,-0.4 -0.980 64.7 -23.6-130.9 141.0 31.8 42.4 80.4 554 554 A S T >> S+ 0 0 19 23,-2.8 4,-1.8 -2,-0.4 3,-1.3 -0.498 146.0 9.5 66.7-116.9 35.2 40.6 80.0 555 555 A N H 3> S+ 0 0 0 -2,-0.4 4,-1.7 1,-0.3 -1,-0.3 0.847 137.1 54.5 -59.8 -27.9 34.4 36.9 80.1 556 556 A G H <> S+ 0 0 0 -3,-2.6 4,-1.9 2,-0.2 -1,-0.3 0.682 100.5 57.1 -76.4 -21.3 30.8 38.2 79.9 557 557 A G H <> S+ 0 0 0 -3,-1.3 4,-2.0 20,-0.2 -2,-0.2 0.853 106.4 49.6 -72.7 -38.4 31.8 40.2 76.8 558 558 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.916 108.2 57.4 -63.2 -41.4 32.8 36.8 75.3 559 559 A L H X S+ 0 0 1 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.954 111.0 37.5 -54.6 -58.0 29.4 35.5 76.5 560 560 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.827 114.5 55.4 -69.5 -29.8 27.2 38.0 74.6 561 561 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.918 110.1 46.3 -69.5 -41.0 29.4 38.1 71.5 562 562 A T H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.917 110.6 53.3 -67.0 -39.9 29.2 34.3 71.2 563 563 A C H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.3 -2,-0.2 0.882 104.6 55.8 -65.0 -32.3 25.4 34.5 71.7 564 564 A A H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.898 112.4 42.2 -63.5 -43.3 25.2 37.0 68.9 565 565 A N H < S+ 0 0 22 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.916 119.9 43.0 -69.4 -43.5 26.9 34.6 66.5 566 566 A Q H < S+ 0 0 61 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.853 133.3 12.9 -74.1 -38.5 25.0 31.6 67.7 567 567 A R >< + 0 0 63 -4,-2.9 3,-2.0 -5,-0.2 4,-0.4 -0.451 63.9 157.7-139.0 65.1 21.5 33.0 68.0 568 568 A P G > S+ 0 0 15 0, 0.0 3,-1.0 0, 0.0 61,-0.1 0.815 76.3 64.4 -60.2 -24.2 21.3 36.4 66.2 569 569 A D G 3 S+ 0 0 67 1,-0.2 -5,-0.1 -3,-0.1 -23,-0.1 0.620 94.2 60.9 -72.0 -15.6 17.5 35.8 65.9 570 570 A L G < S+ 0 0 8 -3,-2.0 2,-0.4 -7,-0.2 -1,-0.2 0.568 100.5 54.6 -91.2 -10.3 17.1 35.9 69.7 571 571 A F < - 0 0 8 -3,-1.0 -22,-0.2 -4,-0.4 -25,-0.1 -0.951 47.3-167.9-130.4 150.1 18.4 39.4 70.4 572 572 A G S S+ 0 0 9 -24,-2.7 60,-2.2 -27,-0.4 2,-0.3 0.761 83.4 17.4 -99.5 -31.2 17.6 42.9 69.4 573 573 A C E -cd 549 632I 0 -25,-2.1 -23,-2.1 58,-0.2 2,-0.4 -0.998 59.8-166.7-146.4 141.4 20.7 44.6 70.9 574 574 A V E -cd 550 633I 0 58,-2.4 60,-2.6 -2,-0.3 2,-0.6 -0.987 1.5-172.6-132.6 124.1 24.1 43.4 72.2 575 575 A I E -cd 551 634I 0 -25,-2.5 -23,-1.3 -2,-0.4 2,-0.6 -0.941 8.7-173.7-117.8 107.2 26.5 45.4 74.3 576 576 A A E -cd 552 635I 0 58,-2.1 60,-2.3 -2,-0.6 2,-0.4 -0.899 7.5-159.5-105.3 115.1 29.8 43.6 74.8 577 577 A Q E -cd 553 636I 33 -25,-2.5 -23,-2.8 -2,-0.6 -20,-0.2 -0.831 64.9 -27.6-100.2 134.0 32.2 45.4 77.2 578 578 A V S S- 0 0 16 58,-3.4 -1,-0.2 -2,-0.4 -21,-0.2 0.790 90.9-179.9 33.5 49.2 36.0 44.7 77.3 579 579 A G - 0 0 0 57,-0.2 2,-0.8 -3,-0.2 -24,-0.2 -0.473 37.7-120.7 -85.6 149.9 35.4 41.2 75.9 580 580 A V + 0 0 1 -26,-0.9 3,-0.1 -2,-0.2 -1,-0.1 -0.761 44.6 159.2 -84.2 109.5 37.8 38.4 75.1 581 581 A M + 0 0 0 -2,-0.8 36,-2.2 1,-0.2 2,-1.1 0.717 53.9 66.6-106.4 -32.9 37.0 37.8 71.4 582 582 A D >> + 0 0 1 1,-0.2 4,-1.3 34,-0.2 3,-0.6 -0.774 56.5 175.6 -94.8 92.6 40.1 36.1 69.9 583 583 A M T 34 S+ 0 0 0 -2,-1.1 19,-0.3 1,-0.2 -1,-0.2 0.561 75.8 57.5 -74.7 -7.9 40.0 32.7 71.7 584 584 A L T 34 S+ 0 0 0 17,-0.1 -1,-0.2 27,-0.1 18,-0.2 0.717 118.9 26.9 -93.6 -19.1 43.0 31.4 69.7 585 585 A K T X4 S+ 0 0 21 -3,-0.6 3,-2.0 1,-0.1 4,-0.4 0.415 84.6 105.1-124.1 1.8 45.4 34.2 70.8 586 586 A F G >< S+ 0 0 1 -4,-1.3 3,-1.0 1,-0.3 6,-0.2 0.813 77.4 60.3 -54.3 -35.7 44.2 35.4 74.2 587 587 A H G 3 S+ 0 0 25 1,-0.2 6,-0.3 -4,-0.1 -1,-0.3 0.604 91.9 69.6 -68.9 -15.0 47.0 33.6 76.1 588 588 A K G < S+ 0 0 90 -3,-2.0 -384,-0.3 4,-0.1 2,-0.3 0.722 89.4 72.3 -77.0 -22.1 49.7 35.6 74.2 589 589 A Y S X S- 0 0 21 -3,-1.0 3,-2.8 -4,-0.4 4,-0.3 -0.746 102.3 -56.3-108.3 147.9 49.0 39.0 75.8 590 590 A T T 3 S- 0 0 1 -388,-2.2 -385,-2.4 -2,-0.3 3,-0.4 0.079 120.0 -12.6 31.0-111.4 49.6 40.5 79.2 591 591 A I T > S+ 0 0 9 51,-0.6 3,-2.3 52,-0.3 4,-0.3 0.369 102.9 110.6 -98.4 9.1 47.9 38.3 81.9 592 592 A G G X + 0 0 0 -3,-2.8 3,-1.5 1,-0.3 4,-0.3 0.732 62.3 73.7 -55.5 -26.2 45.9 36.2 79.4 593 593 A H G > S+ 0 0 15 -3,-0.4 3,-1.0 -4,-0.3 -1,-0.3 0.803 87.9 63.8 -60.3 -24.0 48.0 33.1 80.1 594 594 A A G X S+ 0 0 8 -3,-2.3 -339,-1.1 1,-0.2 3,-0.8 0.742 90.1 65.6 -73.0 -21.6 46.1 32.9 83.4 595 595 A W G X> S+ 0 0 23 -3,-1.5 4,-2.2 -4,-0.3 3,-2.0 0.542 72.2 92.4 -80.8 -4.4 42.7 32.3 81.7 596 596 A T H <> S+ 0 0 28 -3,-1.0 4,-1.3 -4,-0.3 -1,-0.2 0.735 74.2 67.9 -63.5 -19.2 43.7 28.9 80.2 597 597 A T H <4 S+ 0 0 29 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.729 111.9 32.3 -72.1 -21.1 42.3 27.2 83.3 598 598 A D H <4 S+ 0 0 0 -3,-2.0 -78,-3.2 2,-0.1 -2,-0.2 0.788 136.2 22.3 -99.7 -38.5 38.8 28.2 82.3 599 599 A Y H < S- 0 0 2 -4,-2.2 -3,-0.2 1,-0.2 2,-0.2 0.753 94.8-131.6-101.5 -31.5 39.2 28.2 78.5 600 600 A G < - 0 0 0 -4,-1.3 2,-0.4 -5,-0.3 -1,-0.2 -0.487 30.3 -83.7 98.9-175.8 42.0 25.9 77.6 601 601 A C > - 0 0 24 -2,-0.2 3,-2.1 -4,-0.1 7,-0.4 -0.996 15.9-135.1-135.9 135.5 44.8 26.9 75.2 602 602 A S T 3 S+ 0 0 1 -2,-0.4 6,-0.2 -19,-0.3 -18,-0.1 0.619 99.2 77.0 -62.3 -15.4 44.9 26.7 71.3 603 603 A D T 3 S+ 0 0 116 4,-0.1 2,-0.4 -584,-0.1 -1,-0.3 0.754 86.3 74.3 -65.7 -22.7 48.4 25.2 71.5 604 604 A S S <> S- 0 0 40 -3,-2.1 4,-2.8 1,-0.1 5,-0.2 -0.779 78.9-144.3 -94.0 131.6 46.6 22.0 72.5 605 605 A K H > S+ 0 0 114 -2,-0.4 4,-1.8 2,-0.2 -1,-0.1 0.913 101.5 49.7 -59.3 -46.0 44.8 20.1 69.7 606 606 A Q H > S+ 0 0 122 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.933 114.5 44.5 -58.8 -48.1 42.0 19.0 72.0 607 607 A H H >> S+ 0 0 42 -6,-0.3 4,-2.7 1,-0.2 3,-0.7 0.901 107.7 57.2 -65.2 -42.7 41.5 22.5 73.3 608 608 A F H 3X S+ 0 0 0 -4,-2.8 4,-3.0 -7,-0.4 5,-0.3 0.895 101.7 59.0 -54.7 -40.8 41.7 24.1 69.9 609 609 A E H 3< S+ 0 0 71 -4,-1.8 4,-0.5 1,-0.2 -1,-0.3 0.843 110.7 40.1 -59.6 -35.0 38.8 21.9 68.9 610 610 A W H XX S+ 0 0 49 -4,-1.0 3,-0.8 -3,-0.7 4,-0.6 0.947 117.5 49.1 -75.1 -52.5 36.6 23.3 71.7 611 611 A L H >X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 3,-1.4 0.877 102.6 57.5 -54.5 -48.7 37.8 26.9 71.1 612 612 A I H 3< S+ 0 0 23 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.1 0.784 99.9 62.5 -60.0 -23.9 37.4 27.2 67.4 613 613 A K H <4 S+ 0 0 154 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.756 121.0 16.8 -75.5 -24.2 33.7 26.3 67.7 614 614 A Y H << S+ 0 0 6 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.2 0.593 80.7 130.2-124.8 -12.0 32.8 29.4 69.8 615 615 A S >< - 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