==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-DEC-03 1RTQ . COMPND 2 MOLECULE: BACTERIAL LEUCYL AMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PROTEOLYTICUS; . AUTHOR W.DESMARAIS,D.L.BIENVENUE,B.P.KRZYSZTOF,R.C.HOLZ,G.A.PETSKO, . 291 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10929.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 67.7 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 . 18 6.2 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 . 1 0.3 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 . 0 0.0 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 . 10 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.0 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 . 7 2.4 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 0 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 1 0 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 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 0 101 0, 0.0 285,-0.0 0, 0.0 200,-0.0 0.000 360.0 360.0 360.0 146.9 33.4 23.2 27.0 2 2 A P - 0 0 27 0, 0.0 3,-0.1 0, 0.0 287,-0.0 -0.428 360.0 -94.7 -85.2 158.1 32.6 24.3 23.4 3 3 A P - 0 0 99 0, 0.0 2,-0.6 0, 0.0 286,-0.0 -0.264 46.9-100.0 -63.6 152.1 29.3 24.9 21.6 4 4 A I + 0 0 37 1,-0.2 3,-0.0 2,-0.0 281,-0.0 -0.652 64.2 142.8 -75.8 115.1 27.9 22.0 19.5 5 5 A T + 0 0 81 -2,-0.6 3,-0.3 -3,-0.1 -1,-0.2 0.445 46.8 76.4-137.4 -5.2 28.9 22.9 15.9 6 6 A Q > + 0 0 55 1,-0.2 4,-2.7 2,-0.1 3,-0.4 -0.113 51.1 133.1-106.8 33.8 29.9 19.6 14.0 7 7 A Q H > + 0 0 74 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.849 68.0 54.6 -58.1 -44.0 26.3 18.4 13.5 8 8 A A H > S+ 0 0 80 -3,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.940 115.4 39.8 -59.7 -45.4 26.7 17.5 9.8 9 9 A T H > S+ 0 0 45 -3,-0.4 4,-2.3 2,-0.2 5,-0.3 0.939 117.4 47.5 -68.3 -49.1 29.8 15.3 10.6 10 10 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.946 112.4 48.8 -61.1 -46.0 28.4 13.7 13.8 11 11 A T H < S+ 0 0 84 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.791 114.4 47.0 -69.0 -22.6 25.0 12.9 12.2 12 12 A A H < S+ 0 0 51 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.817 118.6 38.4 -80.1 -35.3 26.8 11.3 9.2 13 13 A W H >< S+ 0 0 36 -4,-2.3 3,-1.5 1,-0.1 4,-0.5 0.819 101.3 69.0 -92.1 -32.7 29.3 9.2 11.2 14 14 A L G >< S+ 0 0 8 -4,-2.7 3,-1.7 -5,-0.3 -1,-0.1 0.902 96.0 55.2 -54.9 -43.5 27.2 8.0 14.2 15 15 A P G 3 S+ 0 0 92 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.694 96.8 67.3 -63.2 -17.0 25.0 5.7 12.0 16 16 A Q G < S+ 0 0 65 -3,-1.5 -2,-0.2 -4,-0.2 2,-0.2 0.644 71.2 112.1 -78.5 -13.4 28.1 4.0 10.8 17 17 A V < - 0 0 3 -3,-1.7 2,-0.6 -4,-0.5 111,-0.1 -0.447 59.3-154.0 -59.8 130.8 28.8 2.5 14.3 18 18 A D >> - 0 0 67 -2,-0.2 4,-1.7 1,-0.1 3,-0.8 -0.929 18.5-159.3-121.4 108.3 28.2 -1.2 13.9 19 19 A A H 3> S+ 0 0 19 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.801 93.9 61.9 -53.8 -32.5 27.2 -3.4 16.9 20 20 A S H 3> S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.868 102.5 49.3 -64.4 -38.7 28.5 -6.5 15.1 21 21 A Q H <> S+ 0 0 88 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.925 111.1 51.0 -63.9 -41.0 32.0 -5.1 15.1 22 22 A I H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.938 112.7 43.8 -60.5 -51.8 31.7 -4.3 18.8 23 23 A T H X S+ 0 0 23 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.811 109.2 59.4 -69.7 -25.0 30.5 -7.9 19.7 24 24 A G H X S+ 0 0 32 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.934 108.9 43.7 -59.5 -47.4 33.2 -9.3 17.4 25 25 A T H X S+ 0 0 10 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.913 113.2 50.9 -66.1 -43.5 35.9 -7.5 19.5 26 26 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.945 110.7 48.2 -60.8 -49.1 34.3 -8.6 22.8 27 27 A S H X S+ 0 0 53 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.896 112.5 50.3 -61.1 -36.7 34.1 -12.2 21.8 28 28 A S H >< S+ 0 0 46 -4,-2.0 3,-0.9 -5,-0.2 4,-0.5 0.946 111.7 46.6 -64.3 -46.8 37.7 -12.1 20.6 29 29 A L H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.889 107.8 55.6 -64.6 -38.7 38.9 -10.6 23.9 30 30 A E H 3< S+ 0 0 51 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.633 93.2 72.7 -71.9 -12.4 36.9 -13.0 26.1 31 31 A S T << S+ 0 0 93 -3,-0.9 -1,-0.3 -4,-0.6 2,-0.2 0.682 73.6 94.7 -74.9 -18.8 38.7 -15.9 24.4 32 32 A F S < S- 0 0 33 -3,-1.3 80,-0.2 -4,-0.5 3,-0.1 -0.584 89.6-124.7 -63.0 138.0 41.9 -15.1 26.2 33 33 A T S S- 0 0 75 -2,-0.2 79,-2.4 1,-0.2 2,-0.3 0.938 84.5 -27.0 -54.4 -47.3 41.9 -17.4 29.2 34 34 A N - 0 0 0 77,-0.2 -1,-0.2 74,-0.1 11,-0.1 -0.928 49.8-139.4-149.9 170.5 42.3 -14.2 31.3 35 35 A R + 0 0 0 77,-0.4 65,-0.4 -2,-0.3 2,-0.0 -0.174 45.1 155.7-121.9 36.8 43.8 -10.8 30.8 36 36 A F > - 0 0 16 63,-0.2 3,-1.7 71,-0.2 6,-0.3 -0.330 52.6-117.0 -71.5 148.5 45.4 -10.4 34.2 37 37 A Y T 3 S+ 0 0 46 1,-0.3 38,-1.3 63,-0.2 37,-0.4 0.701 109.7 40.4 -61.5 -26.0 48.4 -8.0 34.5 38 38 A T T 3 S+ 0 0 78 36,-0.1 -1,-0.3 35,-0.1 2,-0.2 0.318 97.8 91.5-108.2 11.7 50.9 -10.7 35.5 39 39 A T S <> S- 0 0 8 -3,-1.7 4,-1.8 1,-0.1 5,-0.2 -0.633 79.6-120.1-106.5 162.9 49.9 -13.6 33.2 40 40 A T H > S+ 0 0 92 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.898 115.8 52.4 -64.7 -38.1 51.1 -14.5 29.7 41 41 A S H > S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.855 105.6 54.7 -67.1 -35.5 47.6 -14.1 28.3 42 42 A G H > S+ 0 0 0 -6,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.894 111.2 45.2 -63.3 -36.9 47.3 -10.6 29.9 43 43 A A H X S+ 0 0 30 -4,-1.8 4,-1.7 2,-0.2 3,-0.2 0.908 112.8 50.9 -71.8 -42.0 50.5 -9.6 28.0 44 44 A Q H X S+ 0 0 106 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.851 103.3 59.0 -65.1 -32.1 49.3 -11.2 24.8 45 45 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.885 103.3 52.7 -65.6 -37.1 46.0 -9.4 25.0 46 46 A S H X S+ 0 0 1 -4,-1.1 4,-2.6 -3,-0.2 -1,-0.2 0.945 109.4 49.0 -59.2 -48.0 47.9 -6.0 25.0 47 47 A D H X S+ 0 0 55 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.896 109.1 53.3 -56.0 -41.4 49.7 -7.2 21.8 48 48 A W H X S+ 0 0 67 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.927 110.7 45.9 -63.0 -45.4 46.3 -8.2 20.2 49 49 A I H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.927 112.1 51.0 -64.8 -44.3 44.8 -4.7 20.8 50 50 A A H X S+ 0 0 9 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.931 111.0 48.9 -59.0 -43.8 47.9 -3.0 19.5 51 51 A S H X S+ 0 0 82 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.906 112.2 48.6 -61.9 -41.8 47.8 -5.1 16.4 52 52 A E H X S+ 0 0 69 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.935 114.0 44.8 -61.2 -48.8 44.1 -4.3 15.9 53 53 A W H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.892 110.9 54.5 -68.5 -36.0 44.6 -0.5 16.4 54 54 A Q H X S+ 0 0 95 -4,-2.6 4,-0.8 -5,-0.3 -1,-0.2 0.938 109.8 47.4 -59.5 -45.4 47.6 -0.5 14.1 55 55 A A H >< S+ 0 0 74 -4,-2.1 3,-0.6 1,-0.2 4,-0.3 0.918 111.4 50.6 -64.9 -40.0 45.6 -2.2 11.3 56 56 A L H 3< S+ 0 0 48 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.892 119.2 35.7 -65.7 -39.9 42.7 0.2 11.7 57 57 A S H >< S+ 0 0 5 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.397 82.0 108.1 -99.9 7.3 44.8 3.3 11.5 58 58 A A T << S+ 0 0 67 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.1 0.753 88.0 39.8 -56.4 -34.4 47.5 2.2 9.0 59 59 A S T 3 S+ 0 0 111 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.403 91.0 104.5 -96.4 -3.5 46.1 4.5 6.4 60 60 A L S X S- 0 0 11 -3,-1.7 3,-1.2 1,-0.1 73,-0.1 -0.757 71.3-125.7 -81.9 117.5 45.3 7.5 8.6 61 61 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.197 91.3 19.1 -54.5 140.9 47.7 10.4 8.2 62 62 A N T 3 S+ 0 0 92 1,-0.2 21,-2.3 20,-0.1 2,-0.3 0.681 94.7 127.3 76.3 23.5 49.2 11.6 11.5 63 63 A A E < +A 82 0A 32 -3,-1.2 2,-0.3 19,-0.2 -1,-0.2 -0.870 30.4 178.1-116.0 147.9 48.4 8.4 13.6 64 64 A S E -A 81 0A 42 17,-2.1 17,-2.4 -2,-0.3 2,-0.4 -0.988 15.4-151.7-142.0 143.2 50.7 6.2 15.7 65 65 A V E +A 80 0A 24 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.983 23.7 168.3-119.6 127.7 50.2 3.1 17.9 66 66 A K E -A 79 0A 136 13,-2.6 13,-2.9 -2,-0.4 2,-0.5 -0.915 28.6-139.0-133.8 159.9 52.5 2.4 20.9 67 67 A Q E -A 78 0A 68 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.989 20.1-146.2-120.6 125.6 52.7 0.2 23.9 68 68 A V E -A 77 0A 49 9,-2.8 9,-1.8 -2,-0.5 2,-0.2 -0.796 10.6-139.8 -96.5 126.1 53.8 1.7 27.2 69 69 A S E - 0 0 92 -2,-0.5 2,-0.3 7,-0.2 7,-0.1 -0.515 14.8-155.3 -79.4 152.9 55.8 -0.5 29.7 70 70 A H E > -A 73 0A 16 3,-0.5 3,-0.9 5,-0.2 2,-0.2 -0.954 24.0 -98.5-129.7 147.3 55.2 -0.3 33.4 71 71 A S T 3 S+ 0 0 103 -2,-0.3 3,-0.0 1,-0.2 0, 0.0 -0.414 99.3 9.8 -64.5 132.5 57.5 -1.1 36.4 72 72 A G T 3 S+ 0 0 80 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.323 116.4 57.9 90.5 -9.5 57.1 -4.5 38.0 73 73 A Y E < -A 70 0A 15 -3,-0.9 -3,-0.5 2,-0.1 -35,-0.1 -0.976 69.8-130.0-152.1 161.6 54.8 -6.3 35.6 74 74 A N E S+ 0 0 134 -37,-0.4 2,-0.2 -2,-0.3 -36,-0.1 0.656 70.2 104.4 -92.8 -20.1 54.8 -7.3 31.9 75 75 A Q E - 0 0 0 -38,-1.3 2,-0.3 -6,-0.1 -5,-0.2 -0.455 58.6-150.9 -70.4 131.5 51.3 -6.1 30.7 76 76 A K E - 0 0 78 -33,-0.2 2,-0.2 -2,-0.2 -7,-0.2 -0.790 10.5-124.6-104.5 144.0 51.6 -2.9 28.5 77 77 A S E -A 68 0A 0 -9,-1.8 -9,-2.8 -2,-0.3 2,-0.4 -0.632 25.8-133.7 -77.0 145.9 49.1 -0.1 28.1 78 78 A V E -AB 67 147A 0 69,-2.4 69,-2.7 -2,-0.2 2,-0.4 -0.882 23.3-176.8-102.8 134.1 48.1 0.6 24.4 79 79 A V E -AB 66 146A 12 -13,-2.9 -13,-2.6 -2,-0.4 2,-0.5 -0.979 7.0-173.3-131.9 119.8 48.1 4.3 23.2 80 80 A M E -AB 65 145A 0 65,-2.6 65,-2.8 -2,-0.4 2,-0.3 -0.949 13.3-169.3-102.9 135.8 47.0 5.4 19.7 81 81 A T E -AB 64 144A 28 -17,-2.4 -17,-2.1 -2,-0.5 2,-0.4 -0.911 17.7-163.4-122.0 152.0 47.5 9.1 18.9 82 82 A I E -AB 63 143A 0 61,-2.1 61,-2.2 -2,-0.3 2,-0.4 -0.997 28.4-128.5-124.1 124.3 46.3 11.4 16.1 83 83 A T - 0 0 64 -21,-2.3 59,-0.1 -2,-0.4 6,-0.1 -0.569 24.4-117.5 -77.0 130.6 48.3 14.7 15.9 84 84 A G - 0 0 6 -2,-0.4 56,-0.3 4,-0.2 58,-0.2 -0.350 10.3-144.4 -64.7 144.5 46.1 17.8 15.7 85 85 A S S S+ 0 0 58 54,-2.2 55,-0.2 56,-0.2 56,-0.1 0.650 93.0 11.0 -84.0 -20.3 46.3 20.0 12.6 86 86 A E S S+ 0 0 145 54,-2.0 55,-0.2 53,-0.1 54,-0.1 0.642 138.6 26.6-128.7 -40.0 45.9 23.4 14.4 87 87 A A E > +c 141 0A 6 53,-3.0 3,-2.0 3,-0.1 55,-0.8 -0.562 64.5 160.4-127.5 60.7 46.2 23.0 18.2 88 88 A P E 3 S+ 0 0 57 0, 0.0 -4,-0.2 0, 0.0 -1,-0.1 0.722 71.0 62.8 -63.4 -18.9 48.4 19.8 18.5 89 89 A D E 3 S+ 0 0 101 -3,-0.1 82,-0.9 -6,-0.1 2,-0.5 0.463 87.0 82.8 -83.4 -1.3 49.3 20.7 22.1 90 90 A E E < S- d 0 171A 24 -3,-2.0 52,-1.9 50,-0.1 2,-0.4 -0.923 72.3-154.8-103.7 125.9 45.7 20.4 23.2 91 91 A W E -cd 142 172A 28 80,-2.9 82,-2.3 -2,-0.5 83,-0.9 -0.890 17.7-164.8-115.5 135.6 44.7 16.8 24.0 92 92 A I E -cd 143 174A 1 50,-2.2 52,-2.7 -2,-0.4 2,-0.4 -0.955 20.3-161.1-108.6 123.2 41.4 14.9 24.0 93 93 A V E +cd 144 175A 0 81,-2.7 83,-2.4 -2,-0.5 2,-0.3 -0.888 17.2 171.1-111.5 140.0 41.6 11.5 25.8 94 94 A I E +cd 145 176A 0 50,-2.2 52,-2.3 -2,-0.4 2,-0.3 -0.990 21.8 139.8-137.8 140.4 39.2 8.5 25.5 95 95 A G E -cd 146 177A 0 81,-2.1 83,-2.3 -2,-0.3 2,-0.3 -0.984 29.9-165.3-164.3 172.9 40.0 5.1 27.1 96 96 A G E -c 147 0A 0 50,-1.8 52,-2.5 -2,-0.3 2,-0.3 -0.886 39.3 -91.0-151.1 179.2 39.1 1.9 28.9 97 97 A H E -c 148 0A 0 81,-0.4 25,-0.3 -2,-0.3 52,-0.2 -0.793 18.4-158.6-104.8 147.0 41.1 -0.9 30.6 98 98 A L + 0 0 0 50,-2.4 51,-0.2 -2,-0.3 2,-0.1 0.542 62.3 90.8 -97.3 -10.6 42.4 -4.0 28.9 99 99 A D - 0 0 0 49,-0.7 2,-0.3 19,-0.1 -63,-0.2 -0.446 53.4-162.2 -85.9 160.5 42.9 -6.3 32.0 100 100 A S - 0 0 1 -65,-0.4 2,-0.3 -2,-0.1 -63,-0.2 -0.933 7.7-175.7-135.2 164.0 40.4 -8.7 33.6 101 101 A T - 0 0 12 16,-0.3 155,-0.2 -2,-0.3 13,-0.2 -0.985 33.6-158.5-152.3 156.1 40.3 -10.4 37.1 102 102 A I S S- 0 0 60 1,-0.5 2,-0.2 -2,-0.3 3,-0.2 0.112 74.1 -85.0-114.8 13.5 38.4 -12.9 39.2 103 103 A G S > S- 0 0 25 1,-0.2 3,-1.9 154,-0.1 -1,-0.5 -0.716 74.6 -25.8 122.5-174.8 39.9 -11.3 42.3 104 104 A S T 3 S+ 0 0 110 -2,-0.2 -1,-0.2 1,-0.2 49,-0.0 0.776 126.9 55.2 -51.7 -22.3 42.9 -11.6 44.4 105 105 A H T 3 S+ 0 0 172 -3,-0.2 -1,-0.2 2,-0.0 5,-0.1 0.578 70.1 140.7 -99.3 24.2 43.8 -15.1 43.4 106 106 A T < + 0 0 11 -3,-1.9 2,-0.2 1,-0.1 -72,-0.0 -0.295 25.0 166.0 -60.4 134.3 43.9 -14.8 39.7 107 107 A N > - 0 0 72 -68,-0.0 3,-1.3 -71,-0.0 -71,-0.2 -0.684 52.3 -70.0-139.1-174.0 46.7 -16.8 38.2 108 108 A E T 3 S+ 0 0 96 1,-0.3 -67,-0.2 -2,-0.2 -74,-0.1 0.849 130.0 37.7 -54.5 -41.5 47.9 -18.1 34.9 109 109 A Q T 3 S+ 0 0 143 2,-0.1 -1,-0.3 -76,-0.1 2,-0.1 0.481 85.8 123.8 -92.8 -4.8 45.1 -20.7 34.5 110 110 A S < - 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0 0 26 -3,-1.8 2,-0.3 -7,-0.2 -3,-0.1 -0.564 68.2-142.7 -82.9 148.4 18.0 7.6 25.0 217 217 A T - 0 0 74 -2,-0.2 -27,-1.5 -30,-0.2 -28,-1.4 -0.797 19.1-171.8-106.9 155.3 17.4 8.4 28.7 218 218 A Y E +f 190 0B 68 -2,-0.3 -27,-0.2 -29,-0.2 2,-0.2 -0.991 11.8 172.7-147.1 156.1 20.1 9.1 31.3 219 219 A G E -f 191 0B 13 -29,-2.1 -27,-2.7 -2,-0.3 2,-0.3 -0.660 25.4-111.3-141.5-161.8 20.7 9.6 35.0 220 220 A F E +f 192 0B 80 -29,-0.3 2,-0.3 -2,-0.2 -27,-0.2 -0.956 30.9 156.3-142.2 150.3 23.6 10.0 37.5 221 221 A D E -f 193 0B 42 -29,-2.3 -27,-2.4 -2,-0.3 2,-0.3 -0.957 28.9-116.5-162.4 176.3 25.2 8.0 40.3 222 222 A T - 0 0 61 -2,-0.3 26,-0.1 -29,-0.2 -29,-0.0 -0.905 3.6-151.1-116.2 153.3 28.4 7.5 42.4 223 223 A a - 0 0 14 -2,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.764 36.1-131.7 -79.4 -38.0 30.8 4.7 42.8 224 224 A G S S+ 0 0 62 1,-0.3 2,-0.3 0, 0.0 -2,-0.0 0.394 78.7 28.6 100.0 -9.3 31.9 5.7 46.3 225 225 A Y S S- 0 0 136 -30,-0.1 2,-1.9 0, 0.0 -1,-0.3 -0.916 110.3 -61.2-165.0 179.2 35.6 5.3 45.6 226 226 A A + 0 0 29 -2,-0.3 -30,-0.1 1,-0.2 6,-0.0 -0.573 63.7 165.7 -76.7 80.7 38.2 5.6 42.8 227 227 A a + 0 0 16 -2,-1.9 2,-0.3 4,-0.0 -1,-0.2 0.559 52.4 6.5 -85.4 -12.1 36.5 2.8 40.9 228 228 A S S > S- 0 0 0 -3,-0.1 3,-2.0 -74,-0.1 4,-0.3 -0.932 91.3 -73.1-159.1-176.6 38.1 3.2 37.4 229 229 A D T >> S+ 0 0 0 1,-0.3 4,-1.1 -2,-0.3 3,-0.9 0.627 109.8 78.5 -68.5 -17.2 40.8 5.0 35.4 230 230 A H H 3> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.850 87.6 63.5 -54.2 -35.3 38.9 8.3 35.2 231 231 A A H <> S+ 0 0 0 -3,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.824 95.3 57.7 -63.5 -31.0 40.2 8.8 38.8 232 232 A S H <> S+ 0 0 7 -3,-0.9 4,-1.4 -4,-0.3 -1,-0.2 0.922 110.6 41.9 -63.5 -43.6 43.8 8.8 37.6 233 233 A W H <>S+ 0 0 2 -4,-1.1 5,-2.3 2,-0.2 4,-0.2 0.923 114.6 52.1 -67.3 -43.3 43.2 11.8 35.3 234 234 A H H ><5S+ 0 0 73 -4,-2.6 3,-1.9 -38,-0.3 -2,-0.2 0.943 109.0 50.1 -57.2 -46.4 41.0 13.5 38.0 235 235 A N H 3<5S+ 0 0 107 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.817 105.0 57.2 -66.0 -29.6 43.8 13.2 40.5 236 236 A A T 3<5S- 0 0 7 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.327 125.8-100.1 -79.2 -1.1 46.4 14.6 38.1 237 237 A G T < 5S+ 0 0 64 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.539 80.8 125.3 98.1 9.9 44.2 17.8 37.8 238 238 A Y < - 0 0 28 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.3 -0.705 67.6 -99.6-105.2 154.2 42.4 17.1 34.5 239 239 A P + 0 0 37 0, 0.0 -64,-1.9 0, 0.0 2,-0.3 -0.556 49.5 179.3 -71.5 127.6 38.6 17.1 33.7 240 240 A A E -e 175 0A 0 -2,-0.3 -42,-2.8 -66,-0.2 2,-0.3 -0.870 13.2-178.0-128.4 159.7 37.3 13.5 33.6 241 241 A A E -e 176 0A 0 -66,-1.8 -64,-2.6 -2,-0.3 -47,-0.1 -0.984 11.4-160.6-152.9 155.9 34.0 11.8 33.0 242 242 A M - 0 0 3 -49,-0.5 -49,-2.4 -2,-0.3 2,-0.6 -0.801 4.7-161.9-144.3 99.6 32.6 8.2 33.0 243 243 A P E -G 192 0B 1 0, 0.0 -64,-0.3 0, 0.0 -51,-0.2 -0.739 28.4-163.1 -74.5 121.3 29.3 7.3 31.2 244 244 A F E -G 191 0B 6 -53,-2.9 -53,-2.4 -2,-0.6 -63,-0.1 -0.688 26.8-112.0-118.6 159.0 28.4 3.9 32.9 245 245 A E S S- 0 0 0 -65,-1.1 -59,-0.4 -66,-0.3 -60,-0.3 0.663 84.1 -21.1 -66.5 -24.5 26.0 1.1 32.0 246 246 A S S S- 0 0 0 -55,-0.2 -55,-0.1 -62,-0.1 5,-0.1 -0.947 89.8 -51.2-165.7 175.3 23.4 1.4 34.8 247 247 A K > - 0 0 78 -2,-0.3 3,-1.8 1,-0.1 4,-0.3 -0.378 60.4-112.0 -59.7 151.7 22.8 2.7 38.3 248 248 A F G > S+ 0 0 51 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.896 117.0 52.8 -62.1 -37.5 25.5 1.5 40.6 249 249 A N G 3 S+ 0 0 152 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.561 112.3 49.1 -70.0 -9.3 23.2 -0.8 42.6 250 250 A D G < S+ 0 0 64 -3,-1.8 -1,-0.2 2,-0.0 -2,-0.2 0.279 79.4 130.1-115.0 5.2 22.1 -2.4 39.3 251 251 A Y S < S- 0 0 76 -3,-1.1 -67,-0.1 -4,-0.3 -3,-0.0 -0.097 75.9 -59.2 -69.4 168.0 25.4 -3.2 37.4 252 252 A N > - 0 0 2 -69,-0.2 3,-1.2 1,-0.2 -1,-0.2 -0.117 46.5-151.5 -47.9 116.4 26.2 -6.6 35.9 253 253 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.458 86.7 60.5 -77.0 2.3 26.2 -9.1 38.8 254 254 A R T > S+ 0 0 116 10,-0.1 3,-0.9 5,-0.1 5,-0.3 0.346 70.1 126.0-110.8 2.0 28.8 -11.4 37.1 255 255 A I T < S+ 0 0 24 -3,-1.2 3,-0.1 1,-0.2 4,-0.1 -0.269 71.8 26.7 -63.5 153.5 31.8 -9.1 36.9 256 256 A H T 3 S+ 0 0 74 1,-0.3 2,-0.3 -139,-0.2 -1,-0.2 0.782 108.4 96.5 63.6 29.6 35.0 -10.4 38.4 257 257 A T S X S- 0 0 57 -3,-0.9 3,-1.5 -156,-0.1 -143,-0.5 -0.906 92.2-101.1-135.4 171.1 33.9 -14.1 37.9 258 258 A T T 3 S+ 0 0 64 -2,-0.3 -3,-0.1 1,-0.3 -146,-0.1 0.628 118.0 60.7 -64.3 -13.6 34.3 -16.9 35.4 259 259 A Q T 3 + 0 0 89 -5,-0.3 2,-2.1 1,-0.1 -1,-0.3 0.233 61.1 116.2-109.4 14.9 30.9 -16.0 34.0 260 260 A D < + 0 0 2 -3,-1.5 -145,-2.8 -6,-0.2 2,-0.3 -0.553 51.3 147.2 -79.9 76.4 31.5 -12.3 32.9 261 261 A T >> - 0 0 28 -2,-2.1 3,-0.9 -147,-0.2 4,-0.7 -0.731 66.0-109.8-113.6 162.4 30.8 -13.4 29.3 262 262 A L G >4 S+ 0 0 16 1,-0.3 3,-1.1 -2,-0.3 7,-0.1 0.896 118.2 59.6 -58.6 -38.2 29.3 -11.6 26.3 263 263 A A G 34 S+ 0 0 73 1,-0.3 -1,-0.3 3,-0.1 5,-0.1 0.814 104.4 49.7 -61.4 -30.1 26.2 -13.9 26.6 264 264 A N G <4 S+ 0 0 47 -3,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.544 115.9 47.8 -88.6 -6.0 25.6 -12.6 30.1 265 265 A S S << S- 0 0 15 -3,-1.1 -82,-0.2 -4,-0.7 -3,-0.1 0.025 126.7 -58.1 -94.5-143.9 25.9 -9.0 28.9 266 266 A D > - 0 0 39 -84,-1.7 3,-2.0 1,-0.1 6,-0.2 -0.869 48.8-168.7-101.1 98.1 24.0 -7.9 25.7 267 267 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.630 86.6 60.5 -69.6 -8.8 25.2 -10.3 23.0 268 268 A T T 3 S- 0 0 84 -6,-0.1 -245,-0.2 -5,-0.1 -5,-0.0 0.585 101.3-137.5 -83.5 -15.9 23.5 -8.1 20.4 269 269 A G <> + 0 0 0 -3,-2.0 4,-2.2 -87,-0.2 5,-0.1 0.574 62.8 131.0 70.6 10.4 25.7 -5.2 21.4 270 270 A S H > S+ 0 0 65 2,-0.2 4,-0.9 1,-0.2 -1,-0.1 0.885 73.8 47.7 -64.1 -37.8 22.8 -2.7 21.3 271 271 A H H >> S+ 0 0 2 1,-0.2 3,-1.2 2,-0.2 4,-1.0 0.981 113.1 46.5 -67.8 -51.5 23.7 -1.3 24.8 272 272 A A H 3> S+ 0 0 0 1,-0.3 4,-2.1 -6,-0.2 -1,-0.2 0.828 103.4 64.8 -59.9 -33.6 27.5 -0.9 24.1 273 273 A K H 3X S+ 0 0 65 -4,-2.2 4,-2.6 1,-0.2 -1,-0.3 0.852 96.5 57.0 -56.9 -36.8 26.6 0.8 20.8 274 274 A K H S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 5,-0.5 0.928 109.9 49.2 -56.5 -49.5 32.7 13.5 21.9 283 283 A A H X5S+ 0 0 1 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.910 114.7 44.8 -62.3 -42.2 35.8 12.8 19.8 284 284 A I H X5S+ 0 0 0 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.953 119.2 39.8 -65.0 -52.5 34.4 14.7 16.7 285 285 A E H X5S+ 0 0 1 -4,-2.7 4,-1.3 -5,-0.2 3,-0.4 0.961 121.9 40.0 -67.1 -49.9 33.2 17.7 18.7 286 286 A M H <5S+ 0 0 1 -4,-2.7 -1,-0.2 -5,-0.3 -3,-0.2 0.870 115.0 53.5 -70.2 -32.6 36.1 18.1 21.1 287 287 A G H <