==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-OCT-07 3B3C . COMPND 2 MOLECULE: BACTERIAL LEUCYL AMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PROTEOLYTICUS; . AUTHOR N.J.ATAIE,Q.Q.HOANG,G.A.PETSKO,D.RINGE . 291 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10492.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 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 . 12 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 0 0 2 0 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 0 1 0 1 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 . 0 0 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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, 0.0 285,-0.0 0, 0.0 200,-0.0 0.000 360.0 360.0 360.0 126.3 33.0 22.1 29.6 2 2 A P - 0 0 25 0, 0.0 287,-0.0 0, 0.0 284,-0.0 -0.255 360.0-100.8 -75.2 154.4 32.3 23.0 25.9 3 3 A P - 0 0 99 0, 0.0 2,-0.7 0, 0.0 0, 0.0 -0.329 43.9 -99.7 -64.6 154.8 28.9 23.7 24.2 4 4 A I + 0 0 35 1,-0.2 3,-0.1 2,-0.0 281,-0.0 -0.709 65.5 143.2 -79.2 112.0 27.4 20.9 22.2 5 5 A T + 0 0 84 -2,-0.7 3,-0.3 1,-0.0 -1,-0.2 0.426 45.1 77.9-132.1 -6.5 28.4 21.9 18.6 6 6 A Q >> + 0 0 50 1,-0.2 4,-3.0 2,-0.1 3,-0.9 0.008 48.5 130.1-102.4 31.4 29.2 18.8 16.6 7 7 A Q H 3> + 0 0 71 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.828 69.7 57.2 -52.4 -39.5 25.7 17.6 16.0 8 8 A A H 34 S+ 0 0 87 -3,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.872 116.1 36.0 -62.0 -38.4 26.3 17.1 12.2 9 9 A T H <> S+ 0 0 39 -3,-0.9 4,-2.2 2,-0.2 3,-0.5 0.939 118.3 48.1 -79.0 -51.5 29.1 14.7 12.9 10 10 A V H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.3 -2,-0.2 0.922 112.1 48.2 -60.0 -47.1 27.8 13.0 16.0 11 11 A T H < S+ 0 0 84 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.748 113.5 50.3 -68.2 -22.3 24.3 12.3 14.5 12 12 A A H 4 S+ 0 0 52 -4,-0.5 -1,-0.2 -3,-0.5 -2,-0.2 0.847 120.3 32.5 -78.8 -35.9 26.1 10.9 11.3 13 13 A W H >< S+ 0 0 39 -4,-2.2 3,-1.8 1,-0.1 4,-0.5 0.797 101.2 73.8 -96.2 -30.4 28.4 8.6 13.2 14 14 A L G >< S+ 0 0 12 -4,-3.1 3,-1.6 1,-0.3 -3,-0.1 0.877 93.3 56.1 -54.1 -42.4 26.4 7.4 16.2 15 15 A P G 3 S+ 0 0 91 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.687 95.6 68.6 -64.0 -16.1 24.1 5.2 14.1 16 16 A Q G < S+ 0 0 70 -3,-1.8 2,-0.2 -4,-0.1 -2,-0.2 0.639 70.7 110.5 -75.9 -16.8 27.3 3.4 12.8 17 17 A V < - 0 0 3 -3,-1.6 2,-0.5 -4,-0.5 3,-0.1 -0.475 60.0-155.3 -61.3 128.5 27.9 1.9 16.3 18 18 A D >> - 0 0 64 -2,-0.2 4,-1.6 1,-0.1 3,-0.9 -0.943 20.2-159.2-122.3 111.5 27.2 -1.8 15.9 19 19 A A H 3> S+ 0 0 19 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.781 95.1 62.4 -57.9 -28.4 26.2 -4.0 18.8 20 20 A S H 3> S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.853 102.1 48.6 -69.7 -33.6 27.3 -7.0 16.9 21 21 A Q H <> S+ 0 0 85 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.921 111.7 51.2 -68.4 -41.7 30.9 -5.7 16.8 22 22 A I H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.941 112.0 44.2 -59.3 -50.8 30.7 -5.1 20.6 23 23 A T H X S+ 0 0 21 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.831 109.3 59.9 -69.9 -27.6 29.4 -8.6 21.3 24 24 A G H X S+ 0 0 32 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.938 108.8 42.5 -57.2 -48.9 32.1 -9.9 18.9 25 25 A T H X S+ 0 0 14 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.918 113.7 51.5 -66.5 -43.2 34.8 -8.4 21.0 26 26 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.939 110.3 48.0 -61.1 -47.1 33.3 -9.5 24.3 27 27 A S H X S+ 0 0 52 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.879 112.9 50.1 -63.6 -34.8 32.9 -13.1 23.2 28 28 A S H >< S+ 0 0 47 -4,-1.8 3,-0.7 -5,-0.2 4,-0.4 0.932 112.4 46.1 -64.3 -45.5 36.5 -13.0 22.0 29 29 A L H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.891 108.5 54.7 -67.6 -38.6 37.8 -11.6 25.3 30 30 A E H 3< S+ 0 0 52 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.679 94.8 70.9 -70.1 -14.6 35.8 -14.1 27.4 31 31 A S T << S+ 0 0 94 -4,-0.7 -1,-0.3 -3,-0.7 2,-0.2 0.695 74.6 96.5 -78.6 -18.1 37.4 -17.0 25.5 32 32 A F S < S- 0 0 37 -3,-1.3 80,-0.2 -4,-0.4 3,-0.1 -0.547 89.2-123.3 -60.0 135.2 40.8 -16.2 27.2 33 33 A T S S- 0 0 71 1,-0.2 79,-2.2 -2,-0.2 2,-0.3 0.941 84.2 -31.0 -49.8 -54.2 40.9 -18.6 30.2 34 34 A N - 0 0 0 77,-0.2 -1,-0.2 74,-0.1 11,-0.2 -0.931 48.7-138.4-148.7 172.0 41.4 -15.6 32.4 35 35 A R + 0 0 0 77,-0.4 65,-0.4 -2,-0.3 2,-0.1 -0.165 45.3 156.8-123.8 40.3 42.9 -12.2 31.9 36 36 A F > - 0 0 7 63,-0.2 3,-1.8 74,-0.2 6,-0.3 -0.354 52.0-117.0 -72.0 147.5 44.6 -12.0 35.4 37 37 A Y T 3 S+ 0 0 44 1,-0.3 38,-1.4 63,-0.2 37,-0.4 0.701 110.0 39.0 -62.4 -22.1 47.5 -9.7 35.7 38 38 A T T 3 S+ 0 0 71 35,-0.1 -1,-0.3 36,-0.1 2,-0.2 0.280 97.9 92.2-112.1 8.4 50.1 -12.4 36.5 39 39 A T S <> S- 0 0 6 -3,-1.8 4,-1.8 68,-0.1 5,-0.2 -0.669 79.2-121.1-103.0 160.4 48.9 -15.2 34.2 40 40 A T H > S+ 0 0 78 -2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.869 116.0 52.2 -65.5 -36.9 50.1 -16.0 30.6 41 41 A S H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.867 106.7 54.3 -66.4 -36.9 46.5 -15.5 29.3 42 42 A G H > S+ 0 0 0 -6,-0.3 4,-1.1 2,-0.2 -2,-0.2 0.874 111.7 43.9 -60.5 -40.0 46.4 -12.1 31.1 43 43 A A H X S+ 0 0 24 -4,-1.8 4,-1.8 2,-0.2 33,-0.2 0.905 113.0 51.7 -71.3 -39.6 49.5 -11.1 29.2 44 44 A Q H X S+ 0 0 109 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.849 103.4 58.8 -65.8 -35.6 48.3 -12.6 25.9 45 45 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.879 104.2 51.2 -60.6 -38.3 45.0 -10.6 26.3 46 46 A S H X S+ 0 0 0 -4,-1.1 4,-2.6 -3,-0.2 -2,-0.2 0.942 110.4 48.4 -63.6 -46.4 47.0 -7.4 26.3 47 47 A D H X S+ 0 0 81 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.882 110.5 52.7 -57.7 -38.9 48.8 -8.4 23.2 48 48 A W H X S+ 0 0 69 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.924 110.2 46.3 -66.4 -44.2 45.4 -9.3 21.6 49 49 A I H X S+ 0 0 1 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.922 111.5 51.8 -65.2 -44.1 43.9 -5.9 22.3 50 50 A A H X S+ 0 0 10 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.921 110.9 48.4 -56.6 -43.2 47.0 -4.1 21.1 51 51 A S H X S+ 0 0 77 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.909 111.8 49.9 -65.2 -42.2 46.8 -6.1 17.8 52 52 A E H X S+ 0 0 66 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.932 113.7 44.2 -59.2 -49.2 43.1 -5.4 17.5 53 53 A W H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.867 110.8 54.7 -69.1 -35.0 43.6 -1.6 18.0 54 54 A Q H X S+ 0 0 100 -4,-2.4 4,-0.7 -5,-0.3 -1,-0.2 0.929 109.2 48.1 -61.4 -44.7 46.6 -1.5 15.7 55 55 A A H >< S+ 0 0 72 -4,-2.2 3,-0.5 1,-0.2 4,-0.3 0.896 112.3 49.8 -63.0 -40.7 44.5 -3.1 12.9 56 56 A L H >< S+ 0 0 34 -4,-2.0 3,-0.7 1,-0.2 4,-0.2 0.887 113.8 43.4 -61.6 -42.4 41.7 -0.6 13.4 57 57 A S H 3< S+ 0 0 6 -4,-2.1 -1,-0.2 1,-0.2 6,-0.2 0.356 81.3 93.8 -98.5 4.5 43.9 2.5 13.4 58 58 A A T << S+ 0 0 73 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.1 0.744 85.8 60.4 -60.8 -22.7 46.0 1.5 10.4 59 59 A S S < S+ 0 0 58 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.2 0.966 95.1 80.2 -60.6 -51.2 43.3 3.6 8.6 60 60 A L S > S- 0 0 14 -4,-0.2 3,-0.7 1,-0.1 2,-0.2 -0.256 71.9-133.9 -76.9 138.9 44.1 6.7 10.6 61 61 A P T 3 S+ 0 0 71 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.593 91.8 20.8 -75.3 147.6 46.8 9.4 10.3 62 62 A N T 3 S+ 0 0 100 -2,-0.2 21,-1.9 1,-0.2 2,-0.4 0.709 94.1 130.9 70.5 24.9 48.5 10.5 13.5 63 63 A A E < +A 82 0A 30 -3,-0.7 2,-0.3 19,-0.2 -1,-0.2 -0.877 29.8 177.2-113.5 141.0 47.6 7.3 15.4 64 64 A S E -A 81 0A 35 17,-1.9 17,-2.4 -2,-0.4 2,-0.5 -0.990 15.8-152.5-140.9 146.9 49.9 5.0 17.4 65 65 A V E +A 80 0A 26 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.989 24.4 165.7-122.4 125.9 49.3 1.9 19.5 66 66 A K E -A 79 0A 128 13,-2.7 13,-3.0 -2,-0.5 2,-0.4 -0.908 30.0-136.3-135.4 162.0 51.6 1.0 22.4 67 67 A Q E -A 78 0A 66 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.991 20.9-141.9-120.4 130.0 51.8 -1.2 25.4 68 68 A V E -A 77 0A 48 9,-2.9 9,-1.5 -2,-0.4 2,-0.2 -0.763 13.0-135.9 -95.6 126.9 53.1 0.2 28.7 69 69 A S - 0 0 90 -2,-0.5 2,-0.3 7,-0.2 7,-0.1 -0.592 18.9-162.5 -78.7 144.8 55.2 -2.0 30.9 70 70 A H > - 0 0 16 3,-0.5 3,-0.8 -2,-0.2 2,-0.3 -0.948 22.2-108.0-126.0 149.1 54.5 -2.1 34.7 71 71 A S T 3 S+ 0 0 106 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 -0.588 95.8 21.6 -78.0 134.1 56.8 -3.3 37.5 72 72 A G T 3 S+ 0 0 73 -2,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.326 117.2 47.9 100.6 -6.2 56.0 -6.6 39.3 73 73 A Y S < S- 0 0 16 -3,-0.8 -3,-0.5 2,-0.1 -35,-0.1 -0.981 70.3-128.1-161.8 159.5 53.9 -8.3 36.6 74 74 A N S S+ 0 0 128 -37,-0.4 2,-0.2 -2,-0.3 -36,-0.1 0.668 71.9 105.1 -90.2 -20.3 53.8 -9.1 32.9 75 75 A Q - 0 0 0 -38,-1.4 2,-0.3 -6,-0.1 -5,-0.2 -0.474 58.4-153.4 -67.9 128.2 50.4 -7.7 31.8 76 76 A K - 0 0 80 -2,-0.2 2,-0.3 -33,-0.2 -7,-0.2 -0.758 12.6-121.6-102.9 146.0 50.8 -4.5 29.9 77 77 A S E -A 68 0A 0 -9,-1.5 -9,-2.9 -2,-0.3 2,-0.4 -0.651 27.1-135.8 -78.0 144.1 48.3 -1.6 29.6 78 78 A V E -AB 67 147A 0 69,-2.3 69,-2.6 -2,-0.3 2,-0.4 -0.864 22.6-176.9-102.6 134.6 47.4 -0.8 26.0 79 79 A V E -AB 66 146A 11 -13,-3.0 -13,-2.7 -2,-0.4 2,-0.4 -0.983 8.7-172.9-133.5 122.5 47.2 2.9 24.8 80 80 A M E -AB 65 145A 1 65,-2.5 65,-2.9 -2,-0.4 2,-0.4 -0.943 14.1-169.1-106.4 134.6 46.2 4.1 21.4 81 81 A T E -AB 64 144A 17 -17,-2.4 -17,-1.9 -2,-0.4 2,-0.4 -0.939 18.4-165.9-121.6 147.5 46.6 7.9 20.7 82 82 A I E -AB 63 143A 0 61,-2.1 61,-2.5 -2,-0.4 2,-0.3 -0.995 29.1-130.5-122.2 125.0 45.5 10.2 18.0 83 83 A T - 0 0 62 -21,-1.9 59,-0.1 -2,-0.4 58,-0.1 -0.591 23.5-114.4 -79.4 133.6 47.4 13.5 18.0 84 84 A G - 0 0 6 -2,-0.3 56,-0.3 4,-0.2 57,-0.2 -0.327 11.1-146.4 -66.8 146.3 45.3 16.7 17.9 85 85 A S S S+ 0 0 78 54,-2.2 55,-0.2 56,-0.2 56,-0.1 0.771 94.5 17.0 -81.8 -29.4 45.5 19.0 14.9 86 86 A E S S+ 0 0 113 54,-1.6 55,-0.2 53,-0.1 54,-0.1 0.789 139.2 21.7-114.9 -45.7 45.0 22.2 16.8 87 87 A A E > +c 141 0A 14 53,-2.8 3,-1.8 3,-0.1 55,-0.8 -0.632 65.3 164.2-125.5 72.9 45.6 21.7 20.5 88 88 A P E 3 S+ 0 0 49 0, 0.0 -4,-0.2 0, 0.0 -1,-0.1 0.653 73.2 61.3 -66.7 -16.4 47.8 18.5 20.6 89 89 A D E 3 S+ 0 0 129 -3,-0.1 82,-1.1 -6,-0.1 2,-0.6 0.426 86.4 86.9 -90.7 -0.7 48.8 19.2 24.3 90 90 A E E < S- d 0 171A 29 -3,-1.8 52,-2.0 50,-0.2 2,-0.4 -0.911 71.0-155.2-100.0 121.6 45.1 18.9 25.4 91 91 A W E -cd 142 172A 17 80,-3.4 82,-2.3 -2,-0.6 83,-1.0 -0.856 18.1-166.7-112.8 132.0 44.2 15.3 26.1 92 92 A I E -cd 143 174A 0 50,-2.3 52,-3.0 -2,-0.4 2,-0.4 -0.951 19.4-162.1-108.8 123.5 40.8 13.5 26.1 93 93 A V E +cd 144 175A 0 81,-2.8 83,-2.6 -2,-0.5 2,-0.3 -0.889 16.6 171.3-112.6 138.5 41.0 10.0 27.8 94 94 A I E +cd 145 176A 0 50,-2.2 52,-2.5 -2,-0.4 2,-0.3 -0.985 22.3 137.9-138.0 139.0 38.6 7.1 27.5 95 95 A G E -cd 146 177A 0 81,-2.1 83,-2.5 -2,-0.3 2,-0.3 -0.984 30.6-163.2-165.2 174.1 39.3 3.7 28.9 96 96 A G E -c 147 0A 0 50,-1.7 52,-2.6 -2,-0.3 2,-0.4 -0.889 40.0 -89.2-153.6 176.5 38.4 0.5 30.7 97 97 A H E -c 148 0A 0 81,-0.4 25,-0.3 -2,-0.3 52,-0.2 -0.799 20.2-159.5-101.4 143.5 40.4 -2.4 32.3 98 98 A L + 0 0 0 50,-2.6 51,-0.2 -2,-0.4 2,-0.1 0.566 62.0 91.4 -96.7 -9.2 41.5 -5.4 30.5 99 99 A D - 0 0 0 49,-0.7 2,-0.3 19,-0.1 -63,-0.2 -0.415 53.0-163.5 -87.9 159.5 42.1 -7.8 33.4 100 100 A S - 0 0 0 -65,-0.4 2,-0.3 -2,-0.1 -63,-0.2 -0.929 7.5-178.0-136.6 161.9 39.7 -10.2 34.9 101 101 A T - 0 0 11 16,-0.3 155,-0.2 -2,-0.3 13,-0.1 -0.984 32.6-161.5-153.3 155.1 39.6 -12.1 38.2 102 102 A I S S- 0 0 33 1,-0.6 2,-0.2 -2,-0.3 3,-0.1 0.178 81.2 -56.4-118.6 11.4 37.7 -14.6 40.3 103 103 A G > - 0 0 19 1,-0.1 3,-1.8 154,-0.1 -1,-0.6 -0.773 69.8 -60.7 140.9 178.3 39.5 -13.5 43.5 104 104 A S T 3 S+ 0 0 120 1,-0.3 -1,-0.1 -2,-0.2 49,-0.0 0.869 127.6 61.6 -58.8 -37.7 42.9 -13.1 45.0 105 105 A H T 3 S+ 0 0 128 -3,-0.1 -1,-0.3 2,-0.0 5,-0.1 0.361 74.9 136.4 -70.9 1.6 43.5 -16.8 44.6 106 106 A T < + 0 0 9 -3,-1.8 2,-0.2 2,-0.1 -72,-0.0 -0.319 29.5 168.1 -57.6 130.5 43.2 -16.5 40.8 107 107 A N > - 0 0 78 -2,-0.0 3,-1.4 -68,-0.0 -71,-0.2 -0.683 50.7 -70.0-133.8-175.0 45.9 -18.5 39.0 108 108 A E T 3 S+ 0 0 69 1,-0.3 -67,-0.1 -2,-0.2 -74,-0.1 0.795 129.9 42.3 -46.8 -39.4 46.9 -19.8 35.6 109 109 A Q T 3 S+ 0 0 144 2,-0.1 -1,-0.3 -76,-0.1 2,-0.1 0.529 85.0 121.3 -92.3 -10.3 44.1 -22.3 35.4 110 110 A S < - 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0 0 60 88,-0.1 2,-1.7 -67,-0.1 69,-0.2 -0.968 62.7-149.6-126.0 114.7 24.1 -5.9 32.6 184 184 A K + 0 0 96 -2,-0.4 62,-0.1 81,-0.4 67,-0.1 -0.617 31.4 161.1 -85.4 84.0 20.9 -3.8 33.0 185 185 A G + 0 0 24 -2,-1.7 2,-0.2 60,-0.3 -1,-0.2 0.645 57.0 37.2 -78.1 -18.8 20.5 -4.3 36.7 186 186 A S S S- 0 0 13 2,-0.4 5,-0.0 59,-0.4 0, 0.0 -0.725 89.7 -98.4-129.5 174.7 18.2 -1.3 37.3 187 187 A A S S+ 0 0 81 -2,-0.2 30,-0.2 31,-0.0 -1,-0.0 0.878 99.5 81.5 -60.2 -39.6 15.3 0.7 35.7 188 188 A Q S S- 0 0 48 1,-0.1 -2,-0.4 28,-0.1 30,-0.2 -0.291 71.9-144.3 -71.3 151.9 17.8 3.3 34.5 189 189 A D S S+ 0 0 20 28,-1.6 2,-0.4 1,-0.3 29,-0.2 0.875 87.0 18.7 -77.4 -41.4 19.9 2.9 31.3 190 190 A V E -f 218 0B 0 27,-1.7 29,-2.4 -6,-0.1 2,-0.5 -0.994 62.7-164.6-135.1 138.5 23.0 4.6 32.7 191 191 A V E -fG 219 244B 0 53,-2.4 53,-3.2 -2,-0.4 2,-0.4 -0.974 16.2-144.8-126.2 115.7 24.0 5.4 36.3 192 192 A F E -fG 220 243B 0 27,-2.7 29,-2.3 -2,-0.5 2,-0.4 -0.662 14.1-131.2 -81.7 131.1 26.8 7.9 36.8 193 193 A I E -fG 221 242B 0 49,-2.5 49,-0.5 -2,-0.4 29,-0.2 -0.669 19.1-169.9 -83.5 128.9 29.1 7.3 39.7 194 194 A T > + 0 0 67 27,-2.7 3,-0.5 -2,-0.4 2,-0.3 0.534 57.9 82.1-105.9 -7.6 29.6 10.4 41.8 195 195 A D T 3 S+ 0 0 30 26,-0.3 3,-0.1 1,-0.2 30,-0.1 -0.780 102.3 11.6 -95.9 143.6 32.4 9.5 44.1 196 196 A Y T 3 S+ 0 0 87 -2,-0.3 38,-0.3 1,-0.2 2,-0.3 0.770 114.2 98.9 62.1 29.8 36.0 9.9 42.8 197 197 A T S < S- 0 0 15 -3,-0.5 2,-0.5 37,-0.1 -1,-0.2 -0.894 78.4-105.5-140.4 167.5 34.6 11.8 39.8 198 198 A D > - 0 0 52 42,-2.9 4,-2.8 -2,-0.3 5,-0.2 -0.847 17.6-151.5-101.5 124.5 34.1 15.4 38.7 199 199 A S H > S+ 0 0 89 -2,-0.5 4,-2.7 2,-0.2 5,-0.2 0.820 95.0 53.5 -69.0 -33.1 30.6 16.8 38.8 200 200 A N H > S+ 0 0 114 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.936 113.8 43.0 -63.7 -46.0 31.1 19.3 36.0 201 201 A F H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.927 114.5 50.3 -65.9 -45.6 32.3 16.5 33.7 202 202 A T H X S+ 0 0 5 -4,-2.8 4,-1.8 38,-0.2 -2,-0.2 0.943 111.3 47.8 -57.5 -48.7 29.6 14.2 34.9 203 203 A Q H X S+ 0 0 89 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.902 108.5 56.2 -61.7 -36.8 26.8 16.8 34.3 204 204 A Y H X S+ 0 0 2 -4,-2.3 4,-1.8 1,-0.2 3,-0.3 0.929 104.4 52.5 -57.4 -46.1 28.3 17.4 30.9 205 205 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.881 105.7 54.4 -59.6 -35.1 27.9 13.7 30.1 206 206 A T H X S+ 0 0 3 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.861 105.1 53.8 -67.0 -32.1 24.2 13.9 31.1 207 207 A Q H X S+ 0 0 96 -4,-1.8 4,-2.3 -3,-0.3 -1,-0.2 0.865 106.0 52.5 -67.7 -35.2 23.8 16.8 28.6 208 208 A L H X>S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 5,-0.6 0.900 110.1 49.0 -65.2 -38.4 25.3 14.6 25.9 209 209 A M H X5S+ 0 0 1 -4,-1.9 4,-1.7 3,-0.2 7,-0.2 0.923 110.1 50.8 -63.7 -44.1 22.7 11.9 26.8 210 210 A D H <5S+ 0 0 90 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.897 120.3 35.4 -59.1 -43.8 19.9 14.6 26.7 211 211 A E H <5S+ 0 0 94 -4,-2.3 -2,-0.2 2,-0.1 -1,-0.2 0.928 133.8 20.2 -75.2 -50.1 21.0 15.7 23.2 212 212 A Y H <5S+ 0 0 21 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.686 131.6 34.5-104.0 -22.6 22.2 12.5 21.6 213 213 A L ><< + 0 0 17 -4,-1.7 3,-1.8 -5,-0.6 -1,-0.2 -0.373 68.4 154.2-126.8 54.3 20.6 9.6 23.5 214 214 A P T 3 + 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.689 66.2 58.5 -65.7 -23.2 17.2 11.2 24.5 215 215 A S T 3 S+ 0 0 111 -3,-0.1 2,-0.2 -6,-0.1 -5,-0.1 0.610 91.9 87.1 -80.3 -14.4 15.2 8.0 24.8 216 216 A L < - 0 0 27 -3,-1.8 2,-0.3 -7,-0.2 -3,-0.1 -0.569 68.7-142.3 -85.0 152.7 17.5 6.6 27.5 217 217 A T - 0 0 75 -2,-0.2 -27,-1.7 -30,-0.2 -28,-1.6 -0.826 16.1-165.8-110.9 152.6 17.2 7.3 31.2 218 218 A Y E +f 190 0B 64 -2,-0.3 -27,-0.2 -29,-0.2 2,-0.2 -0.974 9.9 177.5-138.7 156.3 19.9 7.9 33.7 219 219 A G E -f 191 0B 6 -29,-2.4 -27,-2.7 -2,-0.3 2,-0.3 -0.644 22.9-116.6-135.7-165.3 20.5 8.1 37.4 220 220 A F E +f 192 0B 73 -29,-0.3 2,-0.3 -2,-0.2 -27,-0.2 -0.965 31.1 155.8-142.6 147.9 23.4 8.6 39.9 221 221 A D E -f 193 0B 43 -29,-2.3 -27,-2.7 -2,-0.3 -26,-0.3 -0.963 30.5-118.6-159.6 172.7 25.0 6.5 42.6 222 222 A T - 0 0 63 -2,-0.3 26,-0.2 -29,-0.2 -29,-0.0 -0.884 4.6-150.5-115.6 153.9 28.2 6.0 44.6 223 223 A a - 0 0 12 -2,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.787 36.3-133.4 -78.4 -38.8 30.6 3.0 44.8 224 224 A G S S+ 0 0 62 1,-0.2 2,-0.3 0, 0.0 -2,-0.0 0.387 79.7 36.5 94.2 -0.6 31.5 4.0 48.4 225 225 A Y S S- 0 0 125 -30,-0.1 2,-1.8 3,-0.0 -2,-0.2 -0.935 110.9 -68.1-167.2 173.7 35.2 3.5 47.6 226 226 A A + 0 0 31 -2,-0.3 -30,-0.1 1,-0.2 6,-0.0 -0.596 63.5 168.3 -78.0 86.5 37.7 4.0 44.8 227 227 A a + 0 0 16 -2,-1.8 2,-0.3 4,-0.0 -1,-0.2 0.555 49.6 4.9 -91.1 -11.5 36.0 1.2 42.7 228 228 A S S > S- 0 0 1 -3,-0.1 3,-2.0 -74,-0.1 4,-0.3 -0.918 92.0 -69.5-160.4-174.6 37.6 1.6 39.2 229 229 A D T >> S+ 0 0 0 1,-0.3 4,-1.3 -2,-0.3 3,-1.0 0.616 111.3 76.8 -68.2 -15.8 40.3 3.4 37.2 230 230 A H H 3> S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.864 88.5 63.3 -57.8 -32.2 38.5 6.8 37.2 231 231 A A H <> S+ 0 0 0 -3,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.803 96.5 56.2 -64.0 -31.6 39.8 7.1 40.8 232 232 A S H <> S+ 0 0 4 -3,-1.0 4,-1.5 -4,-0.3 -1,-0.2 0.929 111.3 42.5 -64.2 -47.6 43.4 7.0 39.5 233 233 A W H <>S+ 0 0 2 -4,-1.3 5,-2.4 2,-0.2 -2,-0.2 0.943 115.4 50.8 -63.0 -46.4 42.8 10.0 37.2 234 234 A H H ><5S+ 0 0 73 -4,-2.8 3,-1.7 -38,-0.3 -2,-0.2 0.906 109.7 49.3 -53.1 -48.5 40.8 11.7 40.0 235 235 A N H 3<5S+ 0 0 109 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.788 105.9 57.2 -69.5 -27.5 43.6 11.2 42.6 236 236 A A T 3<5S- 0 0 3 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.406 126.3-102.5 -80.1 -0.3 46.1 12.6 40.1 237 237 A G T < 5S+ 0 0 63 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.658 79.4 127.5 90.6 20.9 44.0 15.8 39.9 238 238 A Y < - 0 0 31 -5,-2.4 -1,-0.3 -6,-0.1 2,-0.3 -0.812 67.2 -99.2-110.6 148.8 42.2 15.2 36.6 239 239 A P + 0 0 33 0, 0.0 -64,-2.0 0, 0.0 2,-0.3 -0.503 50.4 177.7 -66.6 127.0 38.5 15.4 35.8 240 240 A A E -e 175 0A 0 -2,-0.3 -42,-2.9 -66,-0.2 2,-0.3 -0.899 13.0-179.9-131.3 157.8 37.1 11.9 35.7 241 241 A A E -e 176 0A 0 -66,-1.8 -64,-2.6 -2,-0.3 -47,-0.1 -0.989 11.7-159.3-154.4 154.5 33.7 10.2 35.2 242 242 A M E -G 193 0B 3 -49,-0.5 -49,-2.5 -2,-0.3 2,-0.6 -0.845 4.8-161.5-142.5 103.0 32.1 6.8 35.1 243 243 A P E -G 192 0B 0 0, 0.0 -64,-0.4 0, 0.0 2,-0.2 -0.770 29.3-161.8 -76.7 122.0 28.8 5.9 33.4 244 244 A F E -G 191 0B 11 -53,-3.2 -53,-2.4 -2,-0.6 -63,-0.2 -0.699 26.6-112.7-115.9 159.6 28.0 2.6 35.0 245 245 A E S S- 0 0 0 -65,-1.4 -59,-0.4 -66,-0.3 -60,-0.3 0.664 84.9 -25.0 -65.8 -23.4 25.6 -0.3 34.1 246 246 A S S S- 0 0 0 -55,-0.2 -55,-0.1 -61,-0.1 5,-0.1 -0.933 90.8 -47.2-168.5 177.4 23.2 0.0 37.0 247 247 A K > - 0 0 61 -2,-0.3 3,-1.5 1,-0.1 4,-0.3 -0.428 62.1-110.9 -59.2 150.1 22.7 1.2 40.5 248 248 A F G > S+ 0 0 58 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.890 118.4 51.2 -54.7 -43.3 25.6 -0.1 42.7 249 249 A N G 3 S+ 0 0 143 1,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.654 108.4 53.3 -69.7 -14.7 23.4 -2.5 44.6 250 250 A D G < S+ 0 0 71 -3,-1.5 -1,-0.2 2,-0.0 -2,-0.2 0.308 79.8 139.6-103.0 4.7 22.0 -3.9 41.3 251 251 A Y S < S- 0 0 57 -3,-1.3 -67,-0.1 -4,-0.3 4,-0.1 -0.116 73.0 -70.2 -49.6 139.5 25.5 -4.7 39.8 252 252 A N > - 0 0 2 -69,-0.2 3,-1.2 1,-0.2 -1,-0.2 -0.075 44.2-150.0 -33.4 114.5 25.9 -8.0 37.9 253 253 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.2 0, 0.0 7,-0.1 0.616 89.5 60.8 -72.4 -11.1 25.7 -10.7 40.6 254 254 A R T > S+ 0 0 99 10,-0.1 3,-1.3 5,-0.1 5,-0.3 0.379 71.9 126.9 -99.4 4.9 27.9 -13.1 38.6 255 255 A I T < S+ 0 0 33 -3,-1.2 3,-0.1 1,-0.2 4,-0.1 -0.268 73.2 22.8 -59.2 149.1 31.1 -10.9 38.5 256 256 A H T 3 S+ 0 0 67 1,-0.3 2,-0.3 -155,-0.2 -1,-0.2 0.676 108.0 98.3 60.9 22.3 34.3 -12.5 39.8 257 257 A T S X S- 0 0 55 -3,-1.3 3,-1.5 -156,-0.0 -143,-0.4 -0.837 92.5-104.8-121.7 169.2 32.8 -15.9 39.1 258 258 A T T 3 S+ 0 0 63 -2,-0.3 -3,-0.1 1,-0.2 -146,-0.1 0.595 117.0 67.7 -62.3 -10.4 33.2 -18.4 36.2 259 259 A Q T 3 + 0 0 95 -5,-0.3 2,-2.0 1,-0.1 -1,-0.2 0.287 59.2 112.1-101.2 8.6 29.7 -17.2 35.2 260 260 A D < + 0 0 1 -3,-1.5 -145,-2.7 -6,-0.2 2,-0.2 -0.592 54.0 145.5 -77.0 78.7 30.6 -13.6 34.3 261 261 A T > - 0 0 29 -2,-2.0 4,-0.5 -147,-0.2 3,-0.4 -0.732 67.4-109.3-118.4 163.9 29.8 -14.4 30.6 262 262 A L H >> S+ 0 0 17 -2,-0.2 3,-1.2 1,-0.2 4,-0.8 0.891 118.7 57.3 -58.4 -38.7 28.2 -12.5 27.7 263 263 A A H 34 S+ 0 0 72 1,-0.3 -1,-0.2 2,-0.2 5,-0.1 0.838 107.5 47.1 -62.1 -34.2 25.1 -14.7 28.0 264 264 A N H 34 S+ 0 0 44 -3,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 0.463 118.9 42.2 -87.7 -2.1 24.6 -13.6 31.6 265 265 A S H << S- 0 0 16 -3,-1.2 -81,-0.4 -4,-0.5 -2,-0.2 0.753 130.5 -52.5-100.0 -91.5 25.1 -10.0 30.7 266 266 A D >< - 0 0 32 -4,-0.8 3,-1.7 -83,-0.1 6,-0.2 -0.641 45.7-169.9-154.5 95.6 23.4 -8.9 27.5 267 267 A P T 3 S+ 0 0 74 0, 0.0 -4,-0.1 0, 0.0 -5,-0.1 0.628 89.1 59.6 -66.4 -11.7 24.2 -11.2 24.6 268 268 A T T 3 S- 0 0 81 -6,-0.1 -245,-0.2 -5,-0.1 -5,-0.1 0.620 100.2-138.3 -83.2 -17.5 22.5 -8.7 22.2 269 269 A G <> + 0 0 0 -3,-1.7 4,-2.2 -7,-0.2 5,-0.1 0.592 62.6 132.1 70.4 10.3 24.9 -6.0 23.4 270 270 A S H > S+ 0 0 65 2,-0.2 4,-0.9 1,-0.2 -1,-0.1 0.894 71.7 46.4 -60.2 -40.5 22.1 -3.5 23.5 271 271 A H H >> S+ 0 0 2 1,-0.2 3,-1.2 2,-0.2 4,-1.0 0.977 113.1 46.7 -69.2 -51.7 23.1 -2.3 26.9 272 272 A A H 3> S+ 0 0 0 1,-0.3 4,-2.1 -6,-0.2 -1,-0.2 0.824 103.4 66.3 -58.1 -31.7 26.8 -1.9 26.1 273 273 A K H 3X S+ 0 0 65 -4,-2.2 4,-2.8 1,-0.2 -1,-0.3 0.864 95.2 56.9 -57.8 -36.7 25.9 -0.1 22.9 274 274 A K H