==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-MAR-10 2X90 . COMPND 2 MOLECULE: ANGIOTENSIN CONVERTING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR M.AKIF,D.GEORGIADIS,A.MAHAJAN,V.DIVE,E.D.STURROCK,R.E.ISAAC, . 598 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24370.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 425 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0.2 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 . 21 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 292 48.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.3 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 2 0 4 0 1 1 0 2 0 1 1 3 1 1 0 1 3 0 0 0 1 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 1 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 17 A A > 0 0 126 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 173.9 -40.0 6.7 10.5 2 18 A L H > + 0 0 78 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.766 360.0 58.0 -74.0 -31.4 -37.0 8.9 9.4 3 19 A V H > S+ 0 0 117 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.934 111.9 42.2 -64.5 -46.4 -34.1 6.9 10.9 4 20 A K H > S+ 0 0 57 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.865 114.9 52.0 -66.0 -38.1 -35.1 3.8 8.9 5 21 A E H X S+ 0 0 39 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.889 104.0 55.0 -68.0 -41.5 -35.7 5.8 5.8 6 22 A E H X S+ 0 0 32 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.860 107.5 51.1 -62.1 -36.7 -32.4 7.6 5.8 7 23 A I H X S+ 0 0 99 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.916 112.6 45.9 -63.1 -45.2 -30.6 4.2 5.9 8 24 A Q H X S+ 0 0 128 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.867 109.8 55.7 -63.7 -38.7 -32.7 3.1 2.9 9 25 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.865 103.2 54.3 -62.0 -40.4 -32.0 6.5 1.2 10 26 A K H X S+ 0 0 117 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.889 111.4 44.8 -61.0 -42.0 -28.2 5.9 1.5 11 27 A E H X S+ 0 0 121 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.863 111.6 53.9 -69.9 -38.1 -28.6 2.5 -0.3 12 28 A Y H X S+ 0 0 52 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.925 110.4 46.0 -59.1 -47.3 -30.9 4.1 -2.9 13 29 A L H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.888 108.3 55.9 -65.9 -41.6 -28.3 6.8 -3.7 14 30 A E H X S+ 0 0 117 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.923 114.1 39.4 -58.1 -48.2 -25.4 4.4 -3.9 15 31 A N H X S+ 0 0 98 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.906 115.6 51.9 -67.0 -44.7 -27.2 2.2 -6.6 16 32 A L H X S+ 0 0 9 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.880 106.5 53.2 -62.8 -41.6 -28.6 5.2 -8.4 17 33 A N H X S+ 0 0 7 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.934 110.4 47.4 -58.1 -46.9 -25.2 7.0 -8.7 18 34 A K H X S+ 0 0 134 -4,-1.4 4,-1.8 -5,-0.2 -2,-0.2 0.880 113.1 49.3 -63.3 -39.0 -23.7 3.9 -10.3 19 35 A E H X S+ 0 0 84 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.884 110.5 50.4 -65.1 -40.5 -26.6 3.6 -12.6 20 36 A L H X S+ 0 0 2 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.888 109.0 51.3 -66.7 -39.9 -26.3 7.3 -13.6 21 37 A A H X S+ 0 0 11 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.917 112.2 47.1 -60.4 -44.2 -22.6 6.9 -14.3 22 38 A K H X S+ 0 0 130 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.892 114.1 45.9 -66.9 -42.6 -23.3 3.9 -16.6 23 39 A R H X S+ 0 0 83 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.837 113.2 50.1 -68.7 -34.8 -26.1 5.6 -18.5 24 40 A T H X S+ 0 0 13 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.829 102.0 62.2 -74.8 -32.9 -24.1 8.8 -18.9 25 41 A N H X S+ 0 0 19 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.922 104.6 48.7 -52.0 -47.1 -21.1 6.8 -20.2 26 42 A V H X S+ 0 0 75 -4,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.892 112.5 46.8 -62.7 -43.6 -23.4 5.7 -23.1 27 43 A E H X S+ 0 0 46 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.907 112.3 51.2 -63.7 -42.5 -24.5 9.3 -23.8 28 44 A T H X S+ 0 0 15 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.882 106.6 53.4 -65.5 -40.1 -20.9 10.5 -23.6 29 45 A E H X S+ 0 0 63 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.907 110.6 47.2 -60.2 -43.0 -19.7 7.9 -26.1 30 46 A A H X S+ 0 0 18 -4,-1.7 4,-1.8 2,-0.2 16,-0.3 0.870 112.9 48.5 -65.8 -38.9 -22.3 9.0 -28.6 31 47 A A H X S+ 0 0 15 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.876 111.5 50.4 -68.0 -39.9 -21.4 12.7 -28.1 32 48 A W H X S+ 0 0 22 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.904 109.0 51.6 -60.7 -45.5 -17.7 11.8 -28.5 33 49 A A H X S+ 0 0 36 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.878 112.8 45.5 -61.7 -40.6 -18.4 10.0 -31.8 34 50 A Y H >< S+ 0 0 5 -4,-1.8 3,-0.5 8,-0.2 -2,-0.2 0.919 113.5 47.8 -68.9 -46.4 -20.4 12.9 -33.1 35 51 A G H 3< S+ 0 0 6 -4,-2.5 284,-2.7 1,-0.2 3,-0.3 0.805 116.3 45.1 -64.1 -31.5 -17.7 15.5 -32.1 36 52 A S H 3< S+ 0 0 6 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.606 131.7 19.0 -83.1 -16.1 -15.0 13.3 -33.6 37 53 A N S << S- 0 0 61 -4,-0.7 2,-0.7 -3,-0.5 -1,-0.3 -0.671 75.9-151.4-163.7 88.7 -17.0 12.7 -36.8 38 54 A I + 0 0 9 279,-2.9 279,-0.5 -3,-0.3 2,-0.3 -0.601 36.4 140.8 -78.0 111.7 -19.9 14.9 -37.7 39 55 A T > - 0 0 49 -2,-0.7 4,-2.2 277,-0.1 5,-0.2 -0.962 62.7-113.3-141.4 159.1 -22.5 13.1 -39.8 40 56 A D H > S+ 0 0 126 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.847 119.4 52.6 -57.8 -34.4 -26.3 13.1 -39.9 41 57 A E H > S+ 0 0 126 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.905 109.9 44.9 -69.8 -45.4 -26.2 9.5 -38.6 42 58 A N H > S+ 0 0 22 2,-0.2 4,-2.7 1,-0.2 -8,-0.2 0.823 111.5 54.6 -68.3 -33.3 -24.0 10.3 -35.5 43 59 A E H X S+ 0 0 43 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.947 109.2 47.4 -60.8 -51.6 -26.1 13.4 -34.8 44 60 A K H X S+ 0 0 121 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.895 114.0 47.7 -56.4 -45.6 -29.2 11.2 -34.7 45 61 A K H X S+ 0 0 105 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.920 112.8 48.2 -63.3 -47.2 -27.5 8.7 -32.5 46 62 A K H X S+ 0 0 42 -4,-2.7 4,-1.7 -16,-0.3 -2,-0.2 0.939 115.9 43.2 -57.4 -51.2 -26.2 11.4 -30.1 47 63 A N H X S+ 0 0 12 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.826 112.1 52.2 -69.6 -34.8 -29.5 13.2 -29.8 48 64 A E H X S+ 0 0 107 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.892 109.9 48.5 -70.8 -38.3 -31.6 10.0 -29.4 49 65 A I H X S+ 0 0 48 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.885 111.1 51.3 -66.0 -39.5 -29.4 8.7 -26.5 50 66 A S H X S+ 0 0 5 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.880 107.6 52.2 -64.6 -40.2 -29.6 12.1 -24.8 51 67 A A H X S+ 0 0 36 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.871 109.6 50.7 -61.6 -39.1 -33.4 12.0 -25.1 52 68 A E H X S+ 0 0 121 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.905 111.7 46.0 -65.1 -44.8 -33.4 8.5 -23.5 53 69 A L H X S+ 0 0 17 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.880 109.5 55.6 -66.0 -38.8 -31.2 9.7 -20.6 54 70 A A H X S+ 0 0 5 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.905 105.3 52.5 -58.7 -43.4 -33.4 12.8 -20.1 55 71 A K H X S+ 0 0 149 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.886 109.5 48.8 -59.7 -42.4 -36.5 10.5 -19.8 56 72 A F H X S+ 0 0 23 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.876 107.7 54.8 -65.1 -39.9 -34.7 8.6 -17.0 57 73 A M H X S+ 0 0 37 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.880 103.8 55.4 -61.7 -40.6 -33.7 11.8 -15.2 58 74 A K H X S+ 0 0 67 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.899 108.9 47.5 -55.3 -45.6 -37.3 12.8 -15.1 59 75 A E H X S+ 0 0 111 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.891 111.8 51.0 -63.7 -42.1 -38.2 9.5 -13.4 60 76 A V H X S+ 0 0 3 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.955 110.2 47.8 -59.6 -52.3 -35.3 10.1 -11.0 61 77 A A H < S+ 0 0 16 -4,-3.0 4,-0.5 1,-0.2 3,-0.3 0.875 112.9 49.8 -58.4 -40.2 -36.4 13.6 -10.1 62 78 A S H >< S+ 0 0 71 -4,-2.1 3,-1.0 -5,-0.2 -1,-0.2 0.888 108.3 53.4 -62.4 -42.0 -39.9 12.3 -9.6 63 79 A D H >< S+ 0 0 38 -4,-2.3 3,-1.2 1,-0.2 4,-0.2 0.709 93.9 70.3 -69.6 -22.2 -38.6 9.5 -7.3 64 80 A T G >< S+ 0 0 4 -4,-1.4 3,-1.3 -3,-0.3 5,-0.5 0.772 87.7 65.8 -65.3 -25.5 -36.8 11.9 -5.0 65 81 A T G < S+ 0 0 102 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.652 88.5 67.0 -71.8 -16.6 -40.1 13.1 -3.7 66 82 A K G < S+ 0 0 143 -3,-1.2 2,-0.4 -4,-0.2 -1,-0.3 0.607 94.5 71.8 -76.1 -13.8 -40.7 9.7 -2.2 67 83 A F S < S- 0 0 32 -3,-1.3 2,-1.8 -4,-0.2 3,-0.3 -0.896 79.1-139.6-106.9 134.0 -37.8 10.5 0.2 68 84 A Q > + 0 0 102 -2,-0.4 3,-2.1 1,-0.2 4,-0.3 -0.312 46.7 155.1 -79.5 52.7 -38.1 13.0 3.0 69 85 A W G > + 0 0 17 -2,-1.8 3,-1.6 -5,-0.5 -1,-0.2 0.799 60.8 59.9 -62.7 -33.9 -34.6 14.1 2.1 70 86 A R G 3 S+ 0 0 183 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.674 103.1 56.3 -64.1 -17.2 -34.8 17.6 3.5 71 87 A S G < S+ 0 0 62 -3,-2.1 -1,-0.3 -69,-0.0 -2,-0.2 0.497 84.8 116.1 -90.5 -6.9 -35.5 16.1 6.9 72 88 A Y < - 0 0 6 -3,-1.6 -69,-0.1 -4,-0.3 -3,-0.0 -0.194 62.6-140.6 -71.5 156.1 -32.3 14.0 7.0 73 89 A Q S S+ 0 0 168 -70,-0.0 2,-0.6 1,-0.0 -1,-0.1 0.826 79.7 86.4 -78.5 -36.2 -29.5 14.3 9.4 74 90 A S > - 0 0 37 1,-0.2 4,-2.2 2,-0.0 5,-0.2 -0.575 57.8-164.1 -78.2 115.4 -26.7 13.7 6.9 75 91 A E H > S+ 0 0 139 -2,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.846 93.4 56.5 -59.9 -35.1 -25.6 16.8 5.0 76 92 A D H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 107.4 45.2 -64.3 -48.1 -23.9 14.5 2.5 77 93 A L H > S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.920 113.5 50.4 -63.2 -43.9 -27.1 12.6 1.7 78 94 A K H X S+ 0 0 47 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.877 109.0 52.2 -60.1 -40.2 -29.1 15.9 1.4 79 95 A R H X S+ 0 0 54 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.904 110.1 48.4 -64.3 -41.6 -26.5 17.3 -0.9 80 96 A Q H X S+ 0 0 14 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.918 112.0 48.3 -64.4 -46.1 -26.7 14.3 -3.2 81 97 A F H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.900 109.6 53.0 -61.2 -42.1 -30.5 14.3 -3.3 82 98 A K H >X S+ 0 0 96 -4,-2.3 4,-0.7 1,-0.2 3,-0.5 0.919 106.1 53.7 -59.2 -44.3 -30.5 18.1 -4.1 83 99 A A H >< S+ 0 0 39 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.868 107.4 52.0 -56.7 -39.0 -28.1 17.4 -7.0 84 100 A L H 3< S+ 0 0 4 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.748 100.7 60.4 -71.0 -27.3 -30.6 14.8 -8.4 85 101 A T H << S+ 0 0 43 -4,-1.3 2,-1.3 -3,-0.5 -1,-0.2 0.719 82.8 92.9 -72.0 -19.7 -33.6 17.2 -8.3 86 102 A K << + 0 0 75 -4,-0.7 -1,-0.1 -3,-0.6 4,-0.1 -0.613 48.1 167.4 -83.8 93.5 -31.8 19.6 -10.7 87 103 A L > - 0 0 35 -2,-1.3 3,-1.5 1,-0.2 -1,-0.2 0.763 10.9-177.8 -78.5 -30.4 -33.0 18.4 -14.1 88 104 A G G > S- 0 0 37 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 -0.410 74.7 -6.9 59.7-134.5 -31.8 21.3 -16.3 89 105 A Y G > S+ 0 0 50 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.760 125.7 75.7 -60.9 -27.6 -32.9 20.7 -19.9 90 106 A A G < S+ 0 0 8 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.548 80.0 72.9 -64.5 -8.1 -34.3 17.3 -19.0 91 107 A A G < S+ 0 0 17 -3,-1.7 -1,-0.3 -34,-0.0 -2,-0.2 0.684 78.1 101.6 -76.4 -19.3 -37.2 19.0 -17.3 92 108 A L S < S- 0 0 0 -3,-2.1 5,-0.1 -4,-0.2 83,-0.0 -0.272 88.1 -92.6 -65.3 148.9 -38.6 19.9 -20.8 93 109 A P > - 0 0 58 0, 0.0 4,-2.6 0, 0.0 3,-0.3 -0.279 45.6-102.2 -54.6 150.7 -41.5 17.9 -22.3 94 110 A E H > S+ 0 0 144 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.853 121.7 44.7 -43.5 -51.4 -40.3 15.0 -24.6 95 111 A D H > S+ 0 0 124 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.870 113.0 50.1 -65.7 -41.0 -40.9 16.9 -27.8 96 112 A D H > S+ 0 0 25 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.861 109.8 51.4 -66.1 -38.4 -39.4 20.2 -26.6 97 113 A Y H X S+ 0 0 24 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.901 109.2 50.2 -64.4 -42.2 -36.3 18.4 -25.4 98 114 A A H X S+ 0 0 40 -4,-1.8 4,-2.1 -5,-0.3 -2,-0.2 0.895 110.7 49.8 -62.6 -41.3 -35.9 16.8 -28.8 99 115 A E H X S+ 0 0 72 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.877 109.6 51.3 -65.3 -40.0 -36.3 20.1 -30.6 100 116 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.921 109.3 49.8 -63.3 -45.3 -33.7 21.7 -28.3 101 117 A L H X S+ 0 0 16 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.909 111.7 48.6 -58.9 -43.9 -31.1 18.9 -29.0 102 118 A D H X S+ 0 0 92 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.845 112.3 49.7 -64.1 -35.4 -31.7 19.4 -32.8 103 119 A T H X S+ 0 0 14 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.913 111.7 48.1 -68.2 -44.5 -31.3 23.1 -32.4 104 120 A L H X S+ 0 0 29 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.901 112.8 46.5 -64.4 -44.9 -28.0 22.7 -30.4 105 121 A S H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.871 109.2 56.5 -68.0 -34.5 -26.5 20.2 -32.9 106 122 A A H X S+ 0 0 27 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.918 112.0 42.5 -58.7 -44.5 -27.5 22.5 -35.8 107 123 A M H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.927 116.4 45.4 -69.8 -47.0 -25.6 25.4 -34.2 108 124 A E H X S+ 0 0 29 -4,-2.5 4,-2.3 375,-0.3 -2,-0.2 0.895 114.8 48.2 -66.1 -39.8 -22.5 23.4 -33.2 109 125 A S H X S+ 0 0 17 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.861 109.4 53.6 -69.2 -35.9 -22.3 21.6 -36.6 110 126 A N H < S+ 0 0 50 -4,-1.7 4,-0.5 -5,-0.3 3,-0.3 0.950 111.1 46.2 -58.7 -50.6 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46.3-101.5 -9.6 -6.1 36.0 -52.8 121 137 A D > - 0 0 71 3,-0.2 3,-1.0 -3,-0.2 -3,-0.8 -0.801 55.9-174.0-142.6 93.6 -7.7 33.0 -54.5 122 138 A S T 3 S+ 0 0 106 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.1 0.528 86.4 62.6 -67.9 -5.9 -11.5 32.9 -54.9 123 139 A T T 3 S+ 0 0 125 1,-0.1 2,-0.9 -6,-0.0 -1,-0.3 0.816 88.3 74.5 -83.8 -36.2 -11.2 29.4 -56.3 124 140 A K < + 0 0 105 -3,-1.0 -6,-3.1 1,-0.1 -3,-0.2 -0.707 54.0 157.1 -84.0 104.3 -9.8 27.9 -53.1 125 141 A a + 0 0 57 -2,-0.9 -8,-0.2 -8,-0.3 -1,-0.1 -0.166 41.3 94.1-125.3 40.2 -12.7 27.8 -50.6 126 142 A D + 0 0 95 -11,-0.1 2,-0.7 2,-0.1 -9,-0.1 -0.056 45.4 134.6-121.4 29.7 -11.7 25.1 -48.1 127 143 A L E -A 116 0A 10 -11,-1.9 -11,-2.6 -3,-0.2 2,-0.2 -0.741 35.9-165.5 -85.1 116.3 -10.2 27.4 -45.4 128 144 A A E > -A 115 0A 9 -2,-0.7 5,-2.7 -13,-0.2 6,-0.3 -0.618 32.6-112.7 -96.2 160.2 -11.4 26.4 -41.9 129 145 A L T >S+ 0 0 20 -15,-0.5 5,-2.7 1,-0.2 6,-0.3 0.950 99.5 75.7 -53.7 -51.5 -11.1 28.4 -38.7 130 146 A D T 5S- 0 0 29 1,-0.2 -1,-0.2 3,-0.2 190,-0.1 -0.935 120.6 -15.8-109.7 113.2 -8.7 25.8 -37.3 131 147 A P T >5S+ 0 0 34 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 -0.999 134.5 49.7-102.5 -10.3 -6.0 26.1 -38.6 132 148 A E H >5S+ 0 0 66 1,-0.2 4,-1.4 2,-0.2 -3,-0.2 0.905 115.1 34.9 -62.2 -54.6 -6.3 28.2 -41.8 133 149 A I H > - 0 0 69 1,-0.1 4,-2.6 2,-0.0 3,-0.4 -0.887 56.8-158.0 -96.9 103.5 -2.4 43.5 -43.6 143 159 A H H > S+ 0 0 69 -2,-0.8 4,-1.9 1,-0.2 -1,-0.1 0.781 88.9 49.5 -60.1 -30.6 -5.5 45.2 -42.1 144 160 A E H > S+ 0 0 124 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.869 110.6 49.7 -76.2 -36.7 -7.6 44.7 -45.2 145 161 A E H > S+ 0 0 25 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.946 112.6 48.7 -60.4 -49.4 -6.8 41.0 -45.4 146 162 A L H X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.899 110.3 50.7 -56.0 -44.8 -7.7 40.7 -41.7 147 163 A A H X S+ 0 0 20 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.857 107.8 54.3 -64.7 -37.1 -10.9 42.6 -42.2 148 164 A Y H X S+ 0 0 58 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.953 111.0 43.4 -59.8 -52.7 -11.8 40.2 -45.1 149 165 A Y H X S+ 0 0 4 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.858 111.8 55.1 -66.6 -35.5 -11.4 37.1 -43.0 150 166 A W H X S+ 0 0 2 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.959 111.8 42.8 -57.2 -54.7 -13.2 38.7 -40.0 151 167 A R H X S+ 0 0 104 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.912 114.0 50.6 -60.8 -46.8 -16.3 39.4 -42.2 152 168 A E H X S+ 0 0 48 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.912 114.9 43.4 -59.8 -44.4 -16.3 36.1 -43.9 153 169 A F H X S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 5,-0.5 0.944 114.1 47.3 -69.1 -49.9 -16.1 34.1 -40.7 154 170 A Y H X>S+ 0 0 4 -4,-2.6 4,-1.9 1,-0.2 5,-1.5 0.875 111.0 52.9 -60.6 -39.4 -18.7 36.1 -38.6 155 171 A D H <>S+ 0 0 50 -4,-2.2 5,-1.1 -5,-0.2 -1,-0.2 0.884 119.0 35.5 -61.0 -39.3 -21.2 36.0 -41.5 156 172 A K H <5S+ 0 0 80 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.832 126.7 34.7 -86.9 -37.6 -20.9 32.2 -41.7 157 173 A A H <5S+ 0 0 0 -4,-3.3 -3,-0.2 -5,-0.1 -2,-0.2 0.745 132.2 25.2 -88.9 -27.7 -20.5 31.3 -38.0 158 174 A G T ><5S+ 0 0 0 -4,-1.9 3,-1.8 -5,-0.5 -3,-0.2 0.880 121.6 38.5 -99.0 -73.9 -22.7 34.0 -36.6 159 175 A T G > S+ 0 0 1 -3,-1.8 4,-2.7 313,-0.2 -1,-0.3 0.100 72.8 116.2-113.3 23.8 -27.7 30.6 -37.1 162 178 A R H <> S+ 0 0 44 -3,-1.7 4,-2.5 1,-0.2 5,-0.1 0.919 79.6 46.8 -57.2 -48.7 -29.8 33.5 -35.9 163 179 A S H > S+ 0 0 80 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.884 113.9 47.7 -65.3 -39.6 -33.1 31.6 -36.1 164 180 A Q H > S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.911 111.9 50.8 -64.6 -42.4 -31.7 28.5 -34.4 165 181 A F H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.904 107.8 53.0 -62.5 -41.6 -30.2 30.7 -31.7 166 182 A E H X S+ 0 0 47 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.903 110.9 46.2 -57.8 -45.1 -33.6 32.4 -31.1 167 183 A R H X S+ 0 0 75 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.867 109.8 55.0 -67.4 -37.9 -35.3 29.1 -30.7 168 184 A Y H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.916 106.5 50.7 -59.5 -45.4 -32.5 28.0 -28.3 169 185 A V H X S+ 0 0 8 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.923 110.9 49.9 -58.5 -45.3 -33.1 31.1 -26.1 170 186 A E H X S+ 0 0 91 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.903 115.4 41.6 -58.0 -46.3 -36.8 30.3 -26.0 171 187 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.851 111.9 53.9 -76.5 -35.3 -36.3 26.6 -25.0 172 188 A N H X S+ 0 0 5 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.911 111.7 47.1 -59.8 -43.5 -33.5 27.4 -22.5 173 189 A T H X S+ 0 0 30 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.907 111.0 51.0 -63.9 -44.3 -35.9 29.9 -20.8 174 190 A K H X S+ 0 0 90 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.912 111.6 48.0 -60.2 -44.1 -38.7 27.3 -20.9 175 191 A A H X S+ 0 0 1 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.905 110.0 51.8 -61.5 -46.7 -36.4 24.7 -19.2 176 192 A A H ><>S+ 0 0 4 -4,-2.3 5,-2.8 1,-0.2 3,-0.6 0.906 109.8 48.8 -57.9 -44.9 -35.2 27.1 -16.6 177 193 A K H ><5S+ 0 0 113 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.809 105.2 58.0 -69.1 -30.4 -38.7 28.1 -15.6 178 194 A L H 3<5S+ 0 0 87 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.723 107.9 47.7 -68.9 -22.6 -39.7 24.4 -15.3 179 195 A N T <<5S- 0 0 34 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.257 123.8-113.0 -94.5 8.6 -36.9 24.1 -12.8 180 196 A N T < 5S+ 0 0 152 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.709 73.6 134.4 61.5 25.8 -38.4 27.2 -11.1 181 197 A F < - 0 0 51 -5,-2.8 -1,-0.3 -6,-0.1 -2,-0.1 -0.707 65.1-123.3 -88.4 154.1 -35.4 29.5 -12.0 182 198 A T S S- 0 0 94 -2,-0.3 2,-0.3 1,-0.2 -5,-0.2 0.903 82.6 -29.4 -63.1 -41.8 -36.3 32.9 -13.3 183 199 A S S > S- 0 0 1 -7,-0.2 4,-1.7 -8,-0.0 3,-0.4 -0.915 76.4 -76.4-160.2-179.2 -34.3 32.3 -16.5 184 200 A G H > S+ 0 0 1 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.704 122.5 65.8 -62.8 -21.7 -31.2 30.4 -17.8 185 201 A A H > S+ 0 0 0 252,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.939 104.8 41.9 -64.2 -48.4 -29.0 33.0 -16.2 186 202 A E H > S+ 0 0 46 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.844 111.1 57.1 -68.2 -35.1 -30.1 31.9 -12.7 187 203 A A H < S+ 0 0 27 -4,-1.7 4,-0.4 2,-0.2 -1,-0.2 0.925 111.9 42.0 -60.4 -44.6 -29.9 28.3 -13.7 188 204 A W H >< S+ 0 0 33 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.935 112.5 53.3 -66.1 -47.2 -26.2 28.8 -14.7 189 205 A L H >< S+ 0 0 18 -4,-2.6 3,-2.0 1,-0.3 5,-0.4 0.766 92.6 74.2 -61.4 -26.9 -25.5 30.9 -11.6 190 206 A D G >< S+ 0 0 39 -4,-1.7 3,-1.7 1,-0.3 -1,-0.3 0.783 81.5 71.3 -56.6 -29.8 -26.9 28.1 -9.4 191 207 A E G < S+ 0 0 107 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.661 93.4 55.9 -61.0 -18.3 -23.7 26.2 -10.0 192 208 A Y G < S- 0 0 0 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.451 94.9-144.2 -97.8 -2.0 -21.7 28.6 -7.8 193 209 A E < + 0 0 78 -3,-1.7 2,-0.3 -4,-0.2 -3,-0.1 0.838 63.0 108.2 43.8 51.1 -24.0 28.1 -4.8 194 210 A D > - 0 0 50 -5,-0.4 3,-1.9 1,-0.0 4,-0.2 -0.802 57.8-155.5-160.3 110.3 -23.8 31.8 -3.7 195 211 A D T 3 S+ 0 0 159 1,-0.3 4,-0.1 -2,-0.3 3,-0.1 0.550 98.7 49.3 -70.4 -5.9 -26.6 34.3 -3.9 196 212 A T T 3> S+ 0 0 70 1,-0.1 4,-2.3 2,-0.1 -1,-0.3 0.177 76.2 113.1-110.5 16.4 -24.1 37.2 -4.0 197 213 A F H <> S+ 0 0 3 -3,-1.9 4,-1.9 1,-0.2 5,-0.2 0.875 74.2 50.7 -61.7 -43.1 -21.9 35.7 -6.7 198 214 A E H > S+ 0 0 67 -4,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.912 112.0 47.1 -59.2 -46.3 -22.7 38.3 -9.4 199 215 A Q H > S+ 0 0 113 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.895 108.7 55.8 -63.8 -40.6 -22.0 41.3 -7.1 200 216 A Q H X S+ 0 0 42 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.898 110.0 45.2 -56.2 -45.7 -18.7 39.6 -6.0 201 217 A L H X S+ 0 0 1 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.874 110.2 54.0 -68.1 -39.0 -17.6 39.4 -9.6 202 218 A E H X S+ 0 0 58 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.915 110.3 48.4 -58.6 -43.4 -18.7 43.0 -10.2 203 219 A D H X S+ 0 0 86 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.904 114.5 44.1 -64.5 -44.3 -16.6 44.1 -7.2 204 220 A I H X S+ 0 0 13 -4,-2.1 4,-1.6 2,-0.2 3,-0.4 0.942 113.4 50.7 -66.8 -47.7 -13.5 42.2 -8.4 205 221 A F H X S+ 0 0 8 -4,-3.1 4,-2.3 1,-0.2 3,-0.2 0.901 107.2 54.6 -55.9 -43.0 -13.8 43.3 -12.0 206 222 A A H < S+ 0 0 57 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.834 106.8 51.8 -60.7 -34.8 -14.1 47.0 -10.9 207 223 A D H < S+ 0 0 128 -4,-1.3 4,-0.3 -3,-0.4 -1,-0.2 0.844 117.4 37.3 -68.5 -36.2 -10.8 46.6 -8.9 208 224 A I H >X S+ 0 0 13 -4,-1.6 4,-1.6 -3,-0.2 3,-0.9 0.704 95.7 85.6 -89.4 -22.8 -9.0 45.2 -12.0 209 225 A R H 3X S+ 0 0 66 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.838 82.9 57.3 -50.9 -44.2 -10.7 47.4 -14.6 210 226 A P H 3> S+ 0 0 71 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.880 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