==== 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 1H2Y . COMPND 2 MOLECULE: PROLYL ENDOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR D.REA,V.FULOP . 710 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28430.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 480 67.6 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 . 69 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 15.1 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 0 0 0 2 0 2 1 0 0 1 0 0 1 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 0 116 0, 0.0 2,-0.8 0, 0.0 667,-0.1 0.000 360.0 360.0 360.0 -70.8 17.7 54.2 59.9 2 2 A L + 0 0 59 665,-0.2 666,-0.0 1,-0.2 51,-0.0 -0.523 360.0 160.7 -74.4 103.8 21.3 53.7 58.7 3 3 A S + 0 0 96 -2,-0.8 2,-0.3 2,-0.0 -1,-0.2 -0.017 55.2 75.3-109.1 24.5 22.5 57.0 57.3 4 4 A F S S- 0 0 39 49,-0.0 2,-0.4 0, 0.0 45,-0.0 -0.867 71.4-131.7-130.8 164.4 26.2 56.1 57.5 5 5 A Q - 0 0 174 -2,-0.3 -2,-0.0 0, 0.0 44,-0.0 -0.960 28.2-111.4-120.5 137.2 28.5 53.9 55.5 6 6 A Y - 0 0 48 -2,-0.4 3,-0.1 1,-0.1 40,-0.1 -0.424 43.5-104.0 -64.0 138.7 30.9 51.4 57.1 7 7 A P - 0 0 30 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.217 34.3 -98.5 -65.6 155.1 34.5 52.3 56.7 8 8 A D - 0 0 166 1,-0.0 2,-0.4 2,-0.0 37,-0.1 -0.584 42.9-172.8 -71.6 131.6 36.9 50.7 54.2 9 9 A V - 0 0 29 -2,-0.3 2,-0.0 645,-0.1 -3,-0.0 -0.960 22.1-124.4-134.2 117.7 38.9 48.0 56.0 10 10 A Y - 0 0 163 -2,-0.4 2,-0.6 1,-0.1 -2,-0.0 -0.296 18.7-146.0 -61.6 137.3 41.8 46.3 54.2 11 11 A R - 0 0 51 17,-0.1 2,-1.6 18,-0.0 17,-0.2 -0.914 2.6-149.8-108.7 115.2 41.6 42.5 54.2 12 12 A D > + 0 0 47 15,-2.8 3,-1.6 -2,-0.6 14,-0.2 -0.682 18.6 179.5 -84.1 89.0 44.9 40.6 54.4 13 13 A E T 3 S+ 0 0 109 -2,-1.6 -1,-0.2 1,-0.3 15,-0.1 0.509 74.6 64.5 -69.5 -5.1 43.8 37.6 52.4 14 14 A T T 3 S+ 0 0 114 13,-0.1 2,-1.8 1,-0.1 -1,-0.3 0.564 71.8 105.1 -92.3 -11.8 47.3 36.1 52.7 15 15 A A < + 0 0 21 -3,-1.6 11,-2.9 2,-0.0 2,-0.4 -0.519 47.6 150.1 -72.8 84.5 47.0 35.8 56.5 16 16 A I E -A 25 0A 81 -2,-1.8 2,-0.4 9,-0.2 9,-0.2 -0.968 22.4-174.9-122.9 134.0 46.4 32.0 56.7 17 17 A Q E -A 24 0A 84 7,-2.5 7,-3.0 -2,-0.4 2,-0.6 -0.966 21.5-131.6-129.9 144.0 47.4 29.8 59.6 18 18 A D E -A 23 0A 73 -2,-0.4 2,-0.7 5,-0.2 5,-0.2 -0.852 16.4-170.0 -98.2 118.8 47.3 26.0 60.0 19 19 A Y E > S-A 22 0A 13 3,-3.4 3,-2.6 -2,-0.6 584,-0.1 -0.901 76.5 -44.1-108.4 95.7 45.7 24.8 63.2 20 20 A H T 3 S- 0 0 76 -2,-0.7 -1,-0.1 1,-0.3 3,-0.1 0.831 124.0 -38.5 50.4 40.3 46.3 21.1 63.3 21 21 A G T 3 S+ 0 0 58 1,-0.3 2,-0.6 0, 0.0 -1,-0.3 0.242 117.4 113.2 97.6 -13.5 45.4 20.7 59.7 22 22 A H E < -A 19 0A 79 -3,-2.6 -3,-3.4 2,-0.0 2,-0.4 -0.842 61.4-142.5 -95.2 116.5 42.5 23.3 59.9 23 23 A K E -A 18 0A 139 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.693 18.3-169.9 -82.8 128.9 43.3 26.3 57.8 24 24 A V E -A 17 0A 12 -7,-3.0 -7,-2.5 -2,-0.4 2,-0.4 -0.985 11.6-148.3-123.8 127.3 42.1 29.6 59.4 25 25 A C E -A 16 0A 73 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.779 11.7-175.7 -93.1 133.2 42.1 32.9 57.6 26 26 A D > + 0 0 21 -11,-2.9 3,-2.1 -2,-0.4 4,-0.2 -0.556 9.6 169.5-128.5 69.8 42.7 36.0 59.7 27 27 A P T 3 S+ 0 0 13 0, 0.0 -15,-2.8 0, 0.0 3,-0.3 0.662 78.9 47.0 -55.5 -21.7 42.3 39.0 57.3 28 28 A Y T > S+ 0 0 4 -17,-0.2 3,-2.1 1,-0.2 4,-0.2 0.065 70.7 120.6-110.1 24.2 42.2 41.6 60.1 29 29 A A G X + 0 0 21 -3,-2.1 3,-2.2 1,-0.3 -1,-0.2 0.826 64.6 71.4 -57.0 -30.7 45.3 40.2 61.9 30 30 A W G > S+ 0 0 62 1,-0.3 3,-1.6 -3,-0.3 -1,-0.3 0.736 80.6 72.2 -59.7 -22.5 46.9 43.6 61.4 31 31 A L G < S+ 0 0 2 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.540 76.9 81.8 -70.6 -5.4 44.5 45.2 63.9 32 32 A E G < S+ 0 0 35 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.652 76.0 78.6 -71.8 -15.9 46.5 43.3 66.6 33 33 A D X - 0 0 80 -3,-1.6 3,-1.1 1,-0.2 6,-0.3 -0.808 61.8-173.4 -96.3 101.0 49.0 46.2 66.5 34 34 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.2 0, 0.0 167,-0.1 0.753 79.1 57.1 -65.7 -21.5 47.5 49.1 68.5 35 35 A D T 3 S+ 0 0 80 4,-0.1 2,-0.1 165,-0.0 166,-0.0 0.538 80.0 106.2 -89.5 -6.9 50.3 51.4 67.5 36 36 A S S <> S- 0 0 18 -3,-1.1 4,-2.3 -6,-0.2 5,-0.2 -0.355 74.3-126.2 -75.6 154.9 50.1 51.4 63.7 37 37 A E H > S+ 0 0 134 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.872 112.3 57.6 -64.0 -32.2 48.7 54.2 61.7 38 38 A Q H > S+ 0 0 123 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.904 109.0 42.5 -65.0 -45.2 46.4 51.6 60.1 39 39 A T H > S+ 0 0 4 -6,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.902 114.7 50.5 -70.2 -39.5 44.9 50.6 63.4 40 40 A K H X S+ 0 0 97 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.914 111.0 49.2 -65.0 -38.1 44.6 54.1 64.7 41 41 A A H X S+ 0 0 59 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.905 109.5 53.1 -67.3 -37.9 42.9 55.1 61.4 42 42 A F H X S+ 0 0 10 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.934 109.9 46.9 -61.0 -49.4 40.5 52.1 61.9 43 43 A V H X S+ 0 0 30 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.929 112.1 50.3 -60.2 -47.3 39.5 53.2 65.4 44 44 A E H X S+ 0 0 139 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.902 110.7 49.5 -58.3 -44.7 39.0 56.8 64.3 45 45 A A H X S+ 0 0 30 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.853 112.2 47.6 -65.3 -36.6 36.7 55.8 61.4 46 46 A Q H >X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 3,-1.0 0.941 112.5 47.2 -70.2 -48.7 34.6 53.5 63.6 47 47 A N H 3X S+ 0 0 27 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.880 103.9 66.1 -60.2 -33.1 34.1 56.1 66.3 48 48 A K H 3< S+ 0 0 168 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.820 111.5 31.8 -59.0 -34.5 33.3 58.6 63.6 49 49 A I H S+ 0 0 57 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.874 111.7 55.9 -63.1 -33.0 26.7 60.5 65.9 53 53 A F H X S+ 0 0 5 -4,-1.2 4,-0.5 1,-0.2 -2,-0.2 0.938 112.3 41.1 -63.0 -45.5 24.5 57.4 65.8 54 54 A L H < S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 6,-0.2 0.833 118.5 45.9 -70.2 -36.4 24.4 57.3 69.6 55 55 A E H < S+ 0 0 120 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.629 92.4 80.3 -85.0 -13.3 24.0 61.1 70.1 56 56 A Q H < S+ 0 0 114 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.1 0.880 78.3 69.1 -63.4 -44.2 21.3 61.8 67.5 57 57 A C S >< S- 0 0 26 -4,-0.5 3,-2.2 -3,-0.2 4,-0.4 -0.680 79.5-137.1 -81.1 125.3 18.2 60.7 69.4 58 58 A P T 3> S+ 0 0 108 0, 0.0 4,-2.1 0, 0.0 3,-0.4 0.616 94.0 84.5 -55.6 -12.5 17.4 63.1 72.4 59 59 A I H 3> S+ 0 0 19 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.859 81.8 60.6 -61.8 -29.6 16.6 60.0 74.5 60 60 A R H <> S+ 0 0 22 -3,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.916 106.5 46.4 -63.0 -40.3 20.4 59.8 75.2 61 61 A G H > S+ 0 0 43 -4,-0.4 4,-2.5 -3,-0.4 -1,-0.2 0.903 111.9 50.0 -67.2 -41.6 20.2 63.3 76.8 62 62 A L H X S+ 0 0 68 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.932 114.3 45.1 -63.1 -43.8 17.1 62.4 78.8 63 63 A Y H X S+ 0 0 2 -4,-3.0 4,-3.1 2,-0.2 5,-0.2 0.943 112.0 51.0 -64.0 -51.5 18.7 59.2 80.1 64 64 A K H X S+ 0 0 73 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.918 111.8 48.6 -54.2 -42.5 22.0 61.0 80.9 65 65 A E H X S+ 0 0 117 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.907 113.8 45.0 -65.6 -43.0 20.1 63.6 82.8 66 66 A R H X S+ 0 0 55 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.881 113.1 51.6 -69.1 -36.3 18.1 61.1 84.8 67 67 A M H X S+ 0 0 5 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.931 109.3 49.5 -66.1 -45.2 21.2 59.0 85.5 68 68 A T H < S+ 0 0 48 -4,-2.6 4,-0.3 -5,-0.2 -1,-0.2 0.888 115.1 45.4 -61.7 -38.7 23.1 62.0 86.8 69 69 A E H < S+ 0 0 104 -4,-1.8 3,-0.5 -5,-0.2 -2,-0.2 0.954 119.8 37.7 -68.9 -50.5 20.2 62.9 89.1 70 70 A L H < S+ 0 0 4 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.789 113.1 54.0 -74.2 -33.4 19.5 59.3 90.4 71 71 A Y S < S+ 0 0 57 -4,-2.8 2,-1.8 -5,-0.2 -1,-0.2 0.564 85.4 97.2 -77.1 -8.8 23.1 58.2 90.7 72 72 A D + 0 0 85 -3,-0.5 -1,-0.1 -4,-0.3 22,-0.1 -0.592 56.0 114.9 -84.0 80.7 23.7 61.3 92.8 73 73 A Y S S- 0 0 31 -2,-1.8 2,-0.1 20,-0.3 354,-0.1 -0.970 75.6 -84.6-144.1 151.0 23.4 59.7 96.2 74 74 A P - 0 0 48 0, 0.0 2,-0.5 0, 0.0 18,-0.2 -0.401 40.9-160.6 -61.6 130.8 26.0 59.2 99.0 75 75 A K E +B 91 0B 37 16,-2.7 16,-2.0 -2,-0.1 2,-0.3 -0.953 12.4 179.7-120.1 113.6 28.0 56.0 98.6 76 76 A Y E -B 90 0B 39 -2,-0.5 2,-0.2 14,-0.2 14,-0.2 -0.817 17.9-149.5-114.3 151.5 29.8 54.6 101.6 77 77 A S - 0 0 12 12,-2.2 307,-0.1 -2,-0.3 3,-0.1 -0.642 46.3 -78.6-104.5 169.5 32.1 51.6 102.2 78 78 A C - 0 0 9 -2,-0.2 11,-0.3 317,-0.1 -1,-0.1 -0.370 49.5-110.8 -65.9 147.9 32.1 49.7 105.6 79 79 A H - 0 0 8 9,-0.1 2,-0.3 307,-0.1 9,-0.2 -0.476 39.3-170.1 -71.0 155.4 34.2 51.4 108.3 80 80 A F E -C 87 0B 21 7,-2.2 7,-2.8 -2,-0.1 2,-0.4 -0.977 15.1-131.7-151.4 139.3 37.4 49.5 109.1 81 81 A K E +C 86 0B 69 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.766 21.3 175.5 -97.1 138.7 39.9 49.9 111.9 82 82 A K E > -C 85 0B 46 3,-2.3 3,-1.8 -2,-0.4 2,-0.1 -0.966 67.5 -39.8-138.9 115.3 43.6 50.0 111.5 83 83 A G T 3 S- 0 0 24 51,-0.4 53,-0.2 -2,-0.4 52,-0.0 -0.449 124.2 -23.0 67.0-134.1 45.7 50.6 114.6 84 84 A K T 3 S+ 0 0 153 51,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.249 124.5 75.3 -93.0 9.4 44.0 53.3 116.6 85 85 A R E < -C 82 0B 24 -3,-1.8 -3,-2.3 51,-0.0 2,-0.4 -0.812 67.4-133.9-124.9 162.2 42.0 54.8 113.8 86 86 A Y E -CD 81 103B 20 17,-3.2 17,-2.3 -2,-0.3 2,-0.3 -0.901 21.5-170.1-110.9 146.9 38.9 54.1 111.6 87 87 A F E +CD 80 102B 0 -7,-2.8 -7,-2.2 -2,-0.4 2,-0.3 -0.908 9.6 166.0-132.0 158.1 38.9 54.4 107.8 88 88 A Y E - D 0 101B 22 13,-1.4 13,-3.1 -2,-0.3 2,-0.3 -0.943 31.1-120.5-168.8 147.6 36.1 54.3 105.2 89 89 A F E + D 0 100B 7 -11,-0.3 -12,-2.2 -2,-0.3 2,-0.3 -0.741 34.1 176.3 -93.2 148.0 35.6 55.2 101.6 90 90 A Y E -BD 76 99B 44 9,-2.3 9,-3.0 -2,-0.3 2,-0.4 -0.989 22.3-167.8-156.6 138.2 32.9 57.7 100.6 91 91 A N E -B 75 0B 10 -16,-2.0 -16,-2.7 -2,-0.3 7,-0.1 -0.997 21.0-144.6-126.2 119.7 31.7 59.4 97.5 92 92 A T - 0 0 70 -2,-0.4 -1,-0.1 -18,-0.2 -16,-0.1 0.743 66.0 -80.6 -57.2 -22.1 29.3 62.4 98.1 93 93 A G S S+ 0 0 0 -18,-0.1 -20,-0.3 -19,-0.1 -1,-0.1 -0.264 115.8 30.0 157.8 -61.1 27.5 61.2 95.0 94 94 A L S S+ 0 0 60 -22,-0.1 593,-0.1 3,-0.0 -22,-0.1 0.188 74.9 132.6-115.2 15.9 29.1 62.3 91.7 95 95 A Q - 0 0 46 1,-0.1 591,-0.3 591,-0.1 3,-0.1 -0.423 62.5-126.2 -65.7 144.1 32.8 62.5 92.5 96 96 A N S S+ 0 0 39 1,-0.2 590,-1.3 589,-0.2 2,-0.3 0.859 93.3 20.2 -59.3 -36.5 34.8 60.7 89.8 97 97 A Q S S- 0 0 23 588,-0.2 20,-0.2 589,-0.1 -1,-0.2 -0.985 88.0-109.4-134.4 144.5 36.5 58.6 92.5 98 98 A R - 0 0 124 -2,-0.3 2,-0.3 -7,-0.1 -7,-0.2 -0.371 36.0-129.1 -71.6 150.1 35.5 57.7 96.0 99 99 A V E -D 90 0B 0 -9,-3.0 -9,-2.3 16,-0.1 2,-0.6 -0.831 8.1-128.1-106.3 143.5 37.7 59.3 98.8 100 100 A L E -DE 89 114B 0 14,-2.8 13,-3.0 -2,-0.3 14,-2.1 -0.824 30.1-168.0 -94.2 121.6 39.4 57.5 101.7 101 101 A Y E -DE 88 112B 34 -13,-3.1 -13,-1.4 -2,-0.6 2,-0.3 -0.707 7.4-157.3-108.7 160.0 38.6 59.1 105.1 102 102 A V E +DE 87 111B 2 9,-2.3 9,-2.2 -2,-0.3 2,-0.3 -0.982 9.3 179.1-138.3 143.1 40.0 58.7 108.5 103 103 A Q E -D 86 0B 13 -17,-2.3 -17,-3.2 -2,-0.3 7,-0.1 -0.986 30.0-135.8-142.5 145.0 38.7 59.3 112.1 104 104 A D S S+ 0 0 93 5,-0.5 2,-0.3 -2,-0.3 6,-0.1 0.622 90.4 9.5 -75.4 -14.7 40.4 58.8 115.4 105 105 A S S > S- 0 0 52 4,-0.1 3,-0.8 -19,-0.1 -1,-0.1 -0.977 82.1-102.6-159.0 158.3 37.2 57.2 116.9 106 106 A L T 3 S+ 0 0 50 -2,-0.3 -1,-0.0 1,-0.3 -2,-0.0 0.785 126.5 39.4 -55.7 -26.7 33.9 56.0 115.8 107 107 A E T 3 S+ 0 0 192 2,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.589 98.0 106.5 -98.5 -13.9 32.4 59.2 117.1 108 108 A G S < S- 0 0 24 -3,-0.8 2,-0.1 1,-0.1 0, 0.0 -0.174 81.3 -90.0 -69.1 160.0 35.2 61.5 116.0 109 109 A E - 0 0 176 1,-0.1 -5,-0.5 -6,-0.0 2,-0.2 -0.417 45.0-131.7 -66.9 134.9 35.2 64.1 113.2 110 110 A A - 0 0 32 -7,-0.1 2,-0.3 -2,-0.1 -7,-0.2 -0.594 21.7-168.5 -90.7 155.5 36.4 62.6 109.9 111 111 A R E -E 102 0B 93 -9,-2.2 -9,-2.3 -2,-0.2 2,-0.2 -0.976 34.1 -91.1-141.6 151.4 39.0 64.1 107.6 112 112 A V E +E 101 0B 77 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.457 40.8 172.6 -63.0 127.6 40.2 63.3 104.1 113 113 A F E S+ 0 0 12 -13,-3.0 2,-0.3 1,-0.3 -12,-0.2 0.793 71.0 3.9-102.7 -48.4 43.1 60.8 104.1 114 114 A L E -E 100 0B 20 -14,-2.1 -14,-2.8 0, 0.0 -1,-0.3 -0.933 60.9-174.1-145.9 117.0 43.5 60.1 100.4 115 115 A D > - 0 0 39 -2,-0.3 3,-1.1 -16,-0.2 -16,-0.1 -0.898 4.7-173.0-113.9 101.1 41.6 61.8 97.6 116 116 A P G > S+ 0 0 6 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.767 75.2 78.6 -65.7 -21.0 42.3 60.3 94.2 117 117 A N G > S+ 0 0 31 1,-0.3 3,-1.0 -20,-0.2 6,-0.3 0.791 86.5 56.5 -58.7 -33.0 40.3 63.0 92.4 118 118 A I G < S+ 0 0 141 -3,-1.1 -1,-0.3 1,-0.2 3,-0.1 0.482 90.7 75.8 -80.4 -0.5 43.1 65.6 92.7 119 119 A L G < S+ 0 0 79 -3,-2.0 2,-0.3 1,-0.2 -1,-0.2 0.548 107.8 13.3 -86.0 -10.6 45.5 63.3 90.9 120 120 A S X - 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0 0 34 -78,-0.4 3,-1.8 -2,-0.3 4,-0.6 -0.944 37.4-102.9-137.4 159.2 9.5 39.2 72.4 545 545 A P G >4 S+ 0 0 49 0, 0.0 3,-1.4 0, 0.0 27,-0.4 0.887 120.5 52.2 -51.0 -48.0 12.6 38.7 70.3 546 546 A K G 34 S+ 0 0 145 1,-0.3 25,-0.1 25,-0.1 24,-0.0 0.656 114.1 45.0 -65.9 -13.9 12.4 42.1 68.6 547 547 A R G <4 S+ 0 0 85 -3,-1.8 -79,-2.0 -83,-0.1 2,-0.4 0.393 92.1 103.8-108.5 -1.9 12.2 43.7 72.1 548 548 A L E << -b 468 0I 0 -3,-1.4 24,-2.7 -4,-0.6 25,-2.1 -0.732 44.8-174.0 -92.2 131.2 15.0 41.7 73.8 549 549 A T E -bc 469 573I 0 -81,-2.6 -79,-2.8 -2,-0.4 2,-0.4 -0.938 6.9-160.1-118.2 138.3 18.5 43.1 74.5 550 550 A I E -bc 470 574I 0 23,-2.0 25,-2.6 -2,-0.4 2,-0.3 -0.947 11.1-177.3-119.0 143.6 21.3 40.9 75.9 551 551 A N E +bc 471 575I 5 -81,-2.2 -79,-1.5 -2,-0.4 2,-0.3 -0.978 11.1 151.7-140.4 149.3 24.4 42.3 77.6 552 552 A G E - c 0 576I 0 23,-1.3 25,-2.6 -2,-0.3 2,-0.4 -0.933 27.3-133.8-169.7 155.1 27.6 40.9 79.1 553 553 A G E > - c 0 577I 16 -81,-0.3 3,-3.2 -2,-0.3 2,-0.4 -0.945 65.0 -28.6-124.8 143.9 31.2 42.0 79.7 554 554 A S T >> S+ 0 0 22 23,-2.6 4,-2.1 -2,-0.4 26,-1.1 -0.417 146.7 12.1 59.8-111.9 34.5 40.3 79.1 555 555 A N H 3> S+ 0 0 1 -2,-0.4 4,-1.8 1,-0.3 -1,-0.3 0.842 135.9 53.7 -61.6 -26.6 33.7 36.6 79.4 556 556 A G H <> S+ 0 0 0 -3,-3.2 4,-2.2 2,-0.2 -2,-0.3 0.750 102.1 56.5 -76.6 -23.9 30.1 37.9 79.2 557 557 A G H <> S+ 0 0 0 -3,-0.8 4,-2.3 20,-0.3 -2,-0.2 0.901 106.9 48.7 -70.9 -41.4 31.0 39.8 76.0 558 558 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.923 109.2 56.5 -60.7 -42.3 32.0 36.4 74.6 559 559 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.944 112.0 37.6 -55.1 -55.8 28.7 35.1 75.8 560 560 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.850 114.4 54.8 -70.3 -31.6 26.5 37.6 74.0 561 561 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.909 110.6 46.4 -66.6 -44.3 28.6 37.7 70.9 562 562 A T H X S+ 0 0 1 -4,-2.4 4,-3.0 -5,-0.2 5,-0.3 0.917 110.0 53.8 -63.9 -41.6 28.4 33.9 70.5 563 563 A C H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.3 -2,-0.2 0.878 105.7 53.7 -63.4 -32.7 24.6 34.0 71.1 564 564 A A H < S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.939 113.0 43.4 -66.0 -44.3 24.3 36.6 68.3 565 565 A N H < S+ 0 0 21 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.901 120.9 40.0 -66.5 -45.0 26.1 34.2 65.9 566 566 A Q H < S+ 0 0 62 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.839 134.2 15.6 -75.3 -38.5 24.2 31.1 67.1 567 567 A R >X + 0 0 63 -4,-2.9 3,-1.9 -5,-0.3 4,-0.5 -0.427 63.8 156.3-137.1 66.9 20.7 32.5 67.5 568 568 A P G >4 S+ 0 0 16 0, 0.0 3,-0.7 0, 0.0 61,-0.1 0.816 75.9 64.5 -61.9 -25.5 20.4 35.9 65.7 569 569 A D G 34 S+ 0 0 67 1,-0.2 -5,-0.1 -3,-0.1 61,-0.0 0.629 94.3 61.1 -70.5 -16.3 16.6 35.4 65.5 570 570 A L G <4 S+ 0 0 8 -3,-1.9 2,-0.3 -7,-0.2 -1,-0.2 0.706 99.7 54.8 -88.3 -18.8 16.3 35.4 69.3 571 571 A F << - 0 0 8 -3,-0.7 -22,-0.2 -4,-0.5 -25,-0.1 -0.872 47.4-166.9-125.3 150.8 17.5 39.0 70.0 572 572 A G S S+ 0 0 10 -24,-2.7 60,-2.2 -27,-0.4 2,-0.3 0.792 84.0 14.3 -96.8 -32.1 16.8 42.5 68.9 573 573 A C E -cd 549 632I 0 -25,-2.1 -23,-2.0 58,-0.2 2,-0.4 -0.992 59.1-165.9-147.5 145.5 19.9 44.1 70.4 574 574 A V E -cd 550 633I 0 58,-2.1 60,-2.4 -2,-0.3 2,-0.6 -0.995 0.6-171.5-135.8 125.3 23.3 42.9 71.7 575 575 A I E -cd 551 634I 0 -25,-2.6 -23,-1.3 -2,-0.4 2,-0.6 -0.951 8.3-172.6-117.8 110.3 25.8 45.0 73.8 576 576 A A E -cd 552 635I 0 58,-2.2 60,-2.3 -2,-0.6 2,-0.4 -0.912 7.1-159.4-106.2 116.9 29.1 43.3 74.3 577 577 A Q E -cd 553 636I 35 -25,-2.6 -23,-2.6 -2,-0.6 -20,-0.3 -0.812 66.4 -26.8-100.0 134.3 31.5 45.1 76.6 578 578 A V S S- 0 0 17 58,-3.4 -1,-0.2 -2,-0.4 -21,-0.2 0.749 91.6-179.1 33.6 50.7 35.2 44.4 76.5 579 579 A G - 0 0 0 -3,-0.2 2,-0.8 57,-0.2 -24,-0.2 -0.362 37.0-120.9 -87.7 152.5 34.6 40.9 75.2 580 580 A V + 0 0 1 -26,-1.1 3,-0.1 1,-0.2 -1,-0.1 -0.789 44.1 158.1 -84.9 109.9 37.0 38.1 74.3 581 581 A M + 0 0 0 -2,-0.8 36,-2.5 1,-0.2 2,-1.1 0.711 54.9 66.2-107.7 -29.1 36.2 37.5 70.6 582 582 A D >> + 0 0 1 34,-0.2 4,-1.2 1,-0.2 3,-0.6 -0.773 56.0 174.4 -97.4 90.8 39.3 35.8 69.2 583 583 A M T 34 S+ 0 0 0 -2,-1.1 19,-0.3 1,-0.2 4,-0.2 0.587 75.4 58.8 -72.9 -10.0 39.2 32.4 71.0 584 584 A L T 34 S+ 0 0 0 1,-0.1 -1,-0.2 -3,-0.1 18,-0.2 0.760 118.6 25.9 -89.2 -23.2 42.1 31.1 68.9 585 585 A K T X4 S+ 0 0 22 -3,-0.6 3,-2.0 1,-0.1 4,-0.3 0.429 84.9 105.6-121.8 3.0 44.6 33.9 69.9 586 586 A F G >< S+ 0 0 1 -4,-1.2 3,-1.2 1,-0.3 6,-0.2 0.839 77.1 60.7 -54.3 -37.0 43.4 35.1 73.3 587 587 A H G 3 S+ 0 0 23 1,-0.2 6,-0.3 -4,-0.2 -1,-0.3 0.641 91.3 69.8 -66.1 -17.0 46.2 33.3 75.2 588 588 A K G < S+ 0 0 75 -3,-2.0 2,-0.3 4,-0.1 -384,-0.3 0.639 89.3 70.8 -77.6 -15.1 48.9 35.3 73.3 589 589 A Y S X S- 0 0 19 -3,-1.2 3,-2.7 -4,-0.3 4,-0.3 -0.861 101.7 -52.8-115.7 147.8 48.3 38.7 74.9 590 590 A T T 3 S- 0 0 1 -388,-2.2 -385,-2.4 -2,-0.3 3,-0.4 -0.056 120.1 -15.0 32.3-112.1 48.9 40.2 78.4 591 591 A I T > S+ 0 0 11 51,-0.6 3,-2.2 52,-0.3 4,-0.3 0.353 103.6 110.7-100.3 10.2 47.3 38.0 81.0 592 592 A G G X + 0 0 0 -3,-2.7 3,-1.7 1,-0.3 4,-0.2 0.744 63.1 72.5 -55.4 -28.3 45.2 36.0 78.5 593 593 A H G > S+ 0 0 16 -3,-0.4 3,-1.3 -6,-0.3 -1,-0.3 0.831 87.7 64.7 -58.6 -28.8 47.3 32.9 79.2 594 594 A A G X S+ 0 0 5 -3,-2.2 -339,-1.2 1,-0.2 3,-0.8 0.731 90.7 65.5 -67.3 -20.1 45.6 32.6 82.6 595 595 A W G X> S+ 0 0 23 -3,-1.7 4,-2.2 -4,-0.3 3,-1.7 0.476 70.9 92.2 -83.4 -4.3 42.2 32.0 81.0 596 596 A T H <> S+ 0 0 31 -3,-1.3 4,-1.5 1,-0.3 -1,-0.2 0.707 74.6 69.3 -62.2 -20.9 43.2 28.6 79.4 597 597 A T H <4 S+ 0 0 28 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.733 111.2 31.6 -68.7 -24.4 41.9 26.9 82.5 598 598 A D H <4 S+ 0 0 0 -3,-1.7 -78,-3.3 2,-0.1 -2,-0.2 0.797 135.7 23.3 -97.1 -40.6 38.3 27.9 81.5 599 599 A Y H < S- 0 0 2 -4,-2.2 -3,-0.2 1,-0.3 2,-0.2 0.719 95.0-129.7-100.3 -26.5 38.5 27.9 77.7 600 600 A G < - 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