==== 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 2X93 . 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, . 599 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24308.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 427 71.3 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 . 69 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 293 48.9 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 2 2 0 0 0 0 1 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 0 125 0, 0.0 4,-1.6 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-174.9 25.6 31.3 10.6 2 18 A L H > + 0 0 77 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.772 360.0 59.5 -69.4 -32.0 26.1 27.7 9.5 3 19 A V H > S+ 0 0 118 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.919 110.8 41.4 -64.1 -44.8 23.0 26.2 11.0 4 20 A K H > S+ 0 0 57 -3,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.846 114.0 53.3 -70.6 -36.2 20.7 28.5 9.0 5 21 A E H X S+ 0 0 40 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.880 103.7 55.1 -67.6 -39.9 22.8 28.0 5.8 6 22 A E H X S+ 0 0 32 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.840 107.8 50.4 -64.1 -33.9 22.7 24.2 5.9 7 23 A I H X S+ 0 0 102 -4,-1.0 4,-1.3 2,-0.2 -1,-0.2 0.918 113.2 45.5 -66.5 -44.4 18.9 24.4 6.0 8 24 A Q H X S+ 0 0 123 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.848 109.0 56.6 -65.9 -36.9 18.9 26.7 3.0 9 25 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.871 102.8 54.5 -63.3 -39.8 21.5 24.5 1.2 10 26 A K H X S+ 0 0 124 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.898 110.6 46.0 -59.8 -42.8 19.1 21.5 1.5 11 27 A E H X S+ 0 0 122 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.885 111.8 52.3 -65.7 -41.6 16.4 23.6 -0.2 12 28 A Y H X S+ 0 0 51 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.914 110.4 47.0 -58.8 -47.7 18.9 24.7 -2.9 13 29 A L H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.870 107.5 56.5 -65.2 -40.2 20.0 21.1 -3.7 14 30 A E H X S+ 0 0 115 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.923 113.9 38.9 -58.2 -47.5 16.4 19.8 -3.9 15 31 A N H X S+ 0 0 102 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.893 115.7 51.6 -69.9 -43.5 15.5 22.4 -6.6 16 32 A L H X S+ 0 0 10 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.894 106.3 54.1 -63.0 -43.2 18.8 22.2 -8.4 17 33 A N H X S+ 0 0 6 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.926 110.1 47.1 -56.0 -46.2 18.6 18.4 -8.7 18 34 A K H X S+ 0 0 134 -4,-1.3 4,-1.9 -5,-0.2 -1,-0.2 0.884 112.6 49.8 -63.8 -39.9 15.2 18.6 -10.3 19 35 A E H X S+ 0 0 82 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.892 110.7 49.8 -64.0 -41.9 16.4 21.3 -12.7 20 36 A L H X S+ 0 0 2 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.895 109.1 51.8 -64.8 -40.8 19.4 19.2 -13.6 21 37 A A H X S+ 0 0 12 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.915 112.2 46.7 -60.1 -42.9 17.2 16.1 -14.3 22 38 A K H X S+ 0 0 131 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.897 113.8 46.3 -68.3 -43.6 15.0 18.2 -16.6 23 39 A R H X S+ 0 0 80 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.842 112.5 51.2 -66.2 -35.9 17.9 19.8 -18.5 24 40 A T H X S+ 0 0 16 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.839 101.8 61.6 -72.5 -33.8 19.6 16.4 -18.9 25 41 A N H X S+ 0 0 19 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.929 104.9 48.4 -51.6 -48.6 16.4 14.9 -20.2 26 42 A V H X S+ 0 0 73 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.896 112.7 46.9 -61.7 -44.4 16.6 17.4 -23.1 27 43 A E H X S+ 0 0 45 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.915 112.3 50.8 -62.3 -43.7 20.3 16.5 -23.8 28 44 A T H X S+ 0 0 17 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.877 106.7 53.7 -64.8 -39.8 19.5 12.8 -23.6 29 45 A E H X S+ 0 0 61 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.899 110.7 46.8 -61.1 -42.3 16.6 13.1 -26.1 30 46 A A H X S+ 0 0 19 -4,-1.6 4,-1.6 2,-0.2 16,-0.3 0.871 112.6 49.4 -66.6 -39.4 18.9 14.8 -28.6 31 47 A A H X S+ 0 0 17 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.880 111.8 49.7 -65.6 -39.5 21.6 12.2 -28.1 32 48 A W H X S+ 0 0 21 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.897 108.4 52.3 -64.5 -43.5 19.0 9.4 -28.6 33 49 A A H X S+ 0 0 36 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.856 112.5 46.0 -62.7 -36.7 17.7 11.0 -31.8 34 50 A Y H >< S+ 0 0 3 -4,-1.6 3,-0.5 8,-0.2 -2,-0.2 0.911 112.2 48.5 -72.4 -45.7 21.3 11.1 -33.2 35 51 A G H 3< S+ 0 0 6 -4,-2.3 284,-2.6 1,-0.2 3,-0.2 0.757 116.2 44.9 -65.2 -27.4 22.2 7.6 -32.2 36 52 A S H 3< S+ 0 0 8 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.593 131.6 19.2 -86.9 -15.9 18.9 6.3 -33.7 37 53 A N S << S- 0 0 64 -4,-0.6 2,-0.7 -3,-0.5 -1,-0.3 -0.636 75.2-152.6-163.6 85.2 19.4 8.4 -36.9 38 54 A I + 0 0 9 279,-2.5 279,-0.4 -3,-0.2 2,-0.3 -0.569 36.4 141.3 -74.9 109.5 22.8 9.8 -37.8 39 55 A T > - 0 0 51 -2,-0.7 4,-2.0 277,-0.1 5,-0.2 -0.939 62.8-112.1-138.5 162.9 22.5 13.0 -39.8 40 56 A D H > S+ 0 0 127 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.852 119.3 51.9 -61.1 -34.7 24.3 16.3 -40.0 41 57 A E H > S+ 0 0 129 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.899 109.8 46.2 -69.2 -45.4 21.2 18.0 -38.5 42 58 A N H > S+ 0 0 18 2,-0.2 4,-2.6 1,-0.2 -8,-0.2 0.840 111.6 52.7 -67.2 -35.6 20.9 15.6 -35.6 43 59 A E H X S+ 0 0 40 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.933 110.2 47.9 -62.1 -49.0 24.6 15.9 -34.8 44 60 A K H X S+ 0 0 126 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.909 113.6 48.0 -57.5 -46.3 24.3 19.7 -34.8 45 61 A K H X S+ 0 0 101 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.914 112.2 48.7 -60.7 -48.1 21.2 19.5 -32.5 46 62 A K H X S+ 0 0 42 -4,-2.6 4,-1.8 -16,-0.3 -2,-0.2 0.930 114.8 44.1 -58.1 -50.3 22.9 17.0 -30.1 47 63 A N H X S+ 0 0 13 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.810 110.9 53.4 -70.1 -32.6 26.1 19.1 -29.8 48 64 A E H X S+ 0 0 108 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.883 110.3 47.2 -70.2 -38.3 24.3 22.5 -29.4 49 65 A I H X S+ 0 0 47 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.873 110.7 52.2 -69.5 -38.6 22.2 21.2 -26.5 50 66 A S H X S+ 0 0 6 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.895 107.6 52.0 -62.9 -42.2 25.2 19.7 -24.8 51 67 A A H X S+ 0 0 37 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.861 109.1 51.2 -60.8 -38.5 27.1 23.0 -25.0 52 68 A E H X S+ 0 0 118 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.912 111.2 46.4 -65.2 -45.4 24.0 24.7 -23.4 53 69 A L H X S+ 0 0 18 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.881 110.1 54.3 -65.1 -39.2 24.0 22.2 -20.5 54 70 A A H X S+ 0 0 4 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.896 105.9 52.5 -60.7 -42.5 27.8 22.6 -20.1 55 71 A K H X S+ 0 0 143 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.879 110.1 48.5 -60.1 -40.7 27.4 26.3 -19.7 56 72 A F H X S+ 0 0 20 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.870 107.3 55.2 -67.5 -39.4 24.7 25.8 -17.0 57 73 A M H X S+ 0 0 39 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.879 104.0 54.9 -60.4 -40.8 27.0 23.3 -15.2 58 74 A K H X S+ 0 0 67 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.906 108.3 48.8 -55.7 -45.7 29.7 26.0 -15.1 59 75 A E H X S+ 0 0 115 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.897 112.6 48.6 -61.8 -43.0 27.2 28.3 -13.4 60 76 A V H X S+ 0 0 3 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.957 110.4 49.1 -61.4 -53.9 26.3 25.6 -10.9 61 77 A A H X S+ 0 0 15 -4,-3.2 4,-0.5 1,-0.2 3,-0.2 0.879 112.6 49.9 -54.7 -41.7 30.0 24.7 -10.1 62 78 A S H >< S+ 0 0 72 -4,-2.2 3,-1.1 -5,-0.2 -1,-0.2 0.903 107.6 53.9 -60.7 -44.8 30.5 28.5 -9.5 63 79 A D H >< S+ 0 0 43 -4,-2.2 3,-1.6 1,-0.2 4,-0.3 0.750 94.2 69.4 -64.8 -26.7 27.5 28.7 -7.3 64 80 A T H >< S+ 0 0 4 -4,-1.6 3,-1.4 1,-0.3 5,-0.4 0.779 88.3 65.5 -62.7 -26.5 28.7 25.9 -5.0 65 81 A T T << S+ 0 0 107 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.594 90.2 65.6 -72.8 -11.3 31.5 28.2 -3.8 66 82 A K T < S+ 0 0 150 -3,-1.6 2,-0.4 -4,-0.2 -1,-0.3 0.574 94.5 71.3 -84.2 -11.9 28.8 30.4 -2.2 67 83 A F S < S- 0 0 37 -3,-1.4 2,-1.7 -4,-0.3 3,-0.3 -0.896 79.4-138.0-106.5 136.2 28.0 27.6 0.2 68 84 A Q > + 0 0 105 -2,-0.4 3,-1.9 1,-0.2 4,-0.2 -0.319 47.2 154.6 -81.0 53.6 30.3 26.6 3.1 69 85 A W G > + 0 0 17 -2,-1.7 3,-1.6 -5,-0.4 -1,-0.2 0.793 60.4 60.3 -64.3 -33.1 29.5 23.0 2.2 70 86 A R G 3 S+ 0 0 181 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.702 102.9 56.4 -63.8 -19.0 32.7 21.4 3.5 71 87 A S G < S+ 0 0 67 -3,-1.9 -1,-0.3 7,-0.0 -2,-0.2 0.465 85.0 117.1 -89.1 -3.8 31.7 22.8 7.0 72 88 A Y < - 0 0 6 -3,-1.6 -69,-0.1 -4,-0.2 -3,-0.0 -0.218 62.1-141.5 -73.3 156.2 28.3 21.0 7.0 73 89 A Q S S+ 0 0 165 -70,-0.0 2,-0.6 1,-0.0 -1,-0.1 0.834 79.6 86.0 -78.7 -36.8 27.1 18.4 9.5 74 90 A S > - 0 0 37 1,-0.2 4,-2.2 2,-0.0 5,-0.2 -0.574 57.8-164.3 -77.9 115.1 25.2 16.3 6.9 75 91 A E H > S+ 0 0 136 -2,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.843 93.3 56.7 -59.1 -35.2 27.4 13.8 5.1 76 92 A D H > S+ 0 0 67 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.912 107.5 44.7 -65.5 -46.5 24.5 13.5 2.6 77 93 A L H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.919 113.5 51.1 -65.1 -43.1 24.5 17.2 1.7 78 94 A K H X S+ 0 0 47 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.883 108.6 52.1 -59.7 -40.8 28.3 17.3 1.5 79 95 A R H X S+ 0 0 53 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.899 110.1 48.3 -63.8 -41.8 28.2 14.3 -0.9 80 96 A Q H X S+ 0 0 12 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.931 111.9 48.4 -64.1 -47.6 25.7 16.1 -3.2 81 97 A F H X S+ 0 0 0 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.892 109.5 53.1 -59.4 -41.6 27.7 19.3 -3.3 82 98 A K H >X S+ 0 0 92 -4,-2.2 3,-1.0 1,-0.2 4,-0.7 0.923 106.1 53.5 -60.7 -44.0 30.9 17.4 -4.0 83 99 A A H >< S+ 0 0 40 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.883 106.6 53.4 -55.6 -40.4 29.1 15.7 -7.0 84 100 A L H 3< S+ 0 0 6 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.643 100.1 61.0 -71.7 -17.5 28.2 19.2 -8.3 85 101 A T H << S+ 0 0 45 -3,-1.0 2,-1.3 -4,-0.8 -1,-0.2 0.708 82.4 90.9 -79.9 -19.4 31.8 20.4 -8.2 86 102 A K << + 0 0 73 -3,-0.8 -1,-0.1 -4,-0.7 4,-0.1 -0.624 48.4 167.5 -86.5 92.6 32.9 17.7 -10.7 87 103 A L > - 0 0 34 -2,-1.3 3,-1.7 1,-0.2 -1,-0.2 0.706 11.9-176.5 -77.9 -26.2 32.5 19.4 -14.1 88 104 A G G > S- 0 0 37 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 -0.362 75.0 -7.8 56.5-134.4 34.3 16.9 -16.3 89 105 A Y G > S+ 0 0 53 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.755 125.4 77.3 -60.6 -26.3 34.4 18.2 -19.9 90 106 A A G < S+ 0 0 9 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.589 79.9 71.5 -63.4 -9.9 32.1 21.1 -18.9 91 107 A A G < S+ 0 0 17 -3,-1.7 -1,-0.3 84,-0.0 -2,-0.2 0.693 78.4 102.4 -75.7 -20.2 35.1 22.8 -17.3 92 108 A L S < S- 0 0 0 -3,-2.1 5,-0.1 -4,-0.2 83,-0.0 -0.271 87.0 -94.8 -65.1 148.0 36.5 23.6 -20.8 93 109 A P > - 0 0 59 0, 0.0 4,-2.5 0, 0.0 3,-0.4 -0.302 45.3-101.1 -57.6 151.1 36.2 27.0 -22.3 94 110 A E H > S+ 0 0 141 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.823 121.4 44.3 -44.0 -49.6 33.1 27.4 -24.6 95 111 A D H > S+ 0 0 127 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.868 113.0 50.5 -68.4 -39.6 35.1 27.0 -27.9 96 112 A D H > S+ 0 0 25 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.868 110.1 50.8 -65.8 -38.6 37.2 24.1 -26.6 97 113 A Y H X S+ 0 0 25 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.906 109.7 49.9 -65.7 -42.2 34.1 22.2 -25.5 98 114 A A H X S+ 0 0 41 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.905 110.9 50.2 -61.5 -42.1 32.4 22.7 -28.9 99 115 A E H X S+ 0 0 73 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.900 110.2 49.7 -63.0 -42.7 35.6 21.4 -30.6 100 116 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.917 109.8 50.8 -63.0 -45.1 35.7 18.3 -28.4 101 117 A L H X S+ 0 0 19 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.894 111.6 47.8 -58.3 -43.8 32.0 17.6 -29.0 102 118 A D H X S+ 0 0 92 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.856 112.4 50.1 -64.1 -38.0 32.6 17.9 -32.8 103 119 A T H X S+ 0 0 15 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.920 110.9 48.5 -66.8 -45.3 35.6 15.6 -32.4 104 120 A L H X S+ 0 0 30 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.872 112.4 47.1 -63.5 -42.0 33.7 13.0 -30.5 105 121 A S H X S+ 0 0 3 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.862 108.4 57.0 -70.5 -33.3 30.8 12.9 -32.9 106 122 A A H X S+ 0 0 29 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.907 111.6 42.4 -59.8 -43.8 33.3 12.6 -35.8 107 123 A M H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.934 116.4 45.6 -70.3 -47.8 34.8 9.5 -34.3 108 124 A E H X S+ 0 0 26 -4,-2.3 4,-2.4 375,-0.3 -2,-0.2 0.900 114.9 47.6 -65.0 -40.7 31.5 7.8 -33.3 109 125 A S H X S+ 0 0 17 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.876 109.8 53.5 -68.3 -37.6 29.8 8.5 -36.6 110 126 A N H < S+ 0 0 48 -4,-1.7 4,-0.4 -5,-0.3 3,-0.3 0.951 111.2 46.3 -57.2 -50.2 32.9 7.2 -38.5 111 127 A F H >< S+ 0 0 20 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.918 113.9 48.3 -56.2 -47.9 32.7 4.0 -36.5 112 128 A A H 3< S+ 0 0 22 -4,-2.4 206,-0.3 1,-0.2 -1,-0.2 0.743 111.5 50.1 -68.2 -25.7 29.0 3.7 -37.1 113 129 A K T 3< S+ 0 0 84 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.365 76.7 132.6 -96.6 3.8 29.2 4.4 -40.9 114 130 A V < + 0 0 11 -3,-1.1 15,-0.5 -4,-0.4 2,-0.4 -0.374 28.3 174.2 -61.8 126.6 32.0 1.8 -41.6 115 131 A K E -A 128 0A 76 13,-0.2 2,-0.3 -2,-0.1 13,-0.2 -0.997 8.2-167.5-133.0 139.0 31.2 -0.3 -44.7 116 132 A V E -A 127 0A 1 11,-2.5 11,-1.9 -2,-0.4 2,-0.3 -0.842 24.4-104.0-124.1 162.6 33.4 -2.9 -46.4 117 133 A a - 0 0 35 -2,-0.3 8,-0.3 8,-0.2 5,-0.2 -0.616 43.1 -97.5 -86.5 144.3 33.4 -4.9 -49.7 118 134 A D - 0 0 35 6,-3.1 3,-0.3 3,-0.8 -1,-0.1 -0.317 24.4-133.3 -58.4 136.5 32.5 -8.5 -49.8 119 135 A Y S S+ 0 0 85 1,-0.2 3,-0.2 3,-0.1 -1,-0.1 0.819 108.8 36.6 -58.9 -34.4 35.5 -10.9 -49.9 120 136 A K S S+ 0 0 156 1,-0.2 2,-0.3 4,-0.1 -1,-0.2 0.536 125.4 38.6 -96.3 -10.8 34.0 -12.8 -52.8 121 137 A D > - 0 0 78 -3,-0.3 3,-1.0 3,-0.2 -3,-0.8 -0.778 54.7-171.8-150.0 95.8 32.4 -9.8 -54.6 122 138 A S T 3 S+ 0 0 105 -2,-0.3 -3,-0.1 1,-0.2 -1,-0.1 0.444 87.8 65.6 -71.2 1.4 34.1 -6.4 -54.8 123 139 A T T 3 S+ 0 0 121 1,-0.1 2,-0.9 -6,-0.0 -1,-0.2 0.820 87.8 72.0 -85.1 -38.5 30.9 -5.0 -56.3 124 140 A K < + 0 0 109 -3,-1.0 -6,-3.1 1,-0.1 -3,-0.2 -0.709 55.9 157.1 -83.2 103.8 29.0 -5.5 -53.1 125 141 A a + 0 0 55 -2,-0.9 -8,-0.2 -8,-0.3 -1,-0.1 -0.180 41.2 94.4-125.1 40.9 30.3 -2.9 -50.7 126 142 A D + 0 0 92 -11,-0.1 2,-0.6 2,-0.1 -9,-0.1 -0.033 45.6 134.7-121.1 28.2 27.6 -2.4 -48.1 127 143 A L E -A 116 0A 11 -11,-1.9 -11,-2.5 -3,-0.2 2,-0.2 -0.723 35.7-165.3 -85.0 116.6 28.7 -4.8 -45.4 128 144 A A E > -A 115 0A 10 -2,-0.6 5,-2.5 -13,-0.2 6,-0.3 -0.615 32.5-113.9 -94.9 159.6 28.5 -3.2 -42.0 129 145 A L T >S+ 0 0 19 -15,-0.5 5,-2.5 1,-0.2 6,-0.3 0.939 99.3 77.1 -53.9 -49.7 30.1 -4.6 -38.8 130 146 A D T 5S- 0 0 29 1,-0.2 -1,-0.2 3,-0.1 190,-0.1 -0.936 120.7 -16.5-109.4 113.0 26.6 -5.3 -37.4 131 147 A P T >5S+ 0 0 32 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 -0.998 134.9 50.1-101.9 -11.4 25.6 -7.7 -38.6 132 148 A E H >5S+ 0 0 69 1,-0.2 4,-1.4 2,-0.2 -3,-0.2 0.887 114.6 34.7 -60.8 -54.2 27.6 -8.6 -41.8 133 149 A I H > - 0 0 71 1,-0.1 4,-2.6 2,-0.0 3,-0.2 -0.901 56.7-158.6 -99.3 104.6 38.8 -19.6 -43.6 143 159 A H H > S+ 0 0 68 -2,-0.8 4,-1.9 1,-0.2 -1,-0.1 0.788 89.0 49.6 -60.1 -31.4 41.9 -17.9 -42.2 144 160 A E H > S+ 0 0 124 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.884 111.1 49.2 -75.9 -37.3 42.5 -15.7 -45.3 145 161 A E H > S+ 0 0 22 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.942 112.7 48.5 -60.4 -49.6 38.8 -14.6 -45.4 146 162 A L H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.897 110.4 51.1 -56.5 -44.1 39.1 -13.7 -41.7 147 163 A A H X S+ 0 0 21 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.860 107.8 54.0 -63.5 -37.3 42.3 -11.8 -42.3 148 164 A Y H X S+ 0 0 58 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.940 110.7 43.8 -61.8 -50.8 40.7 -9.9 -45.1 149 165 A Y H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.857 111.8 55.0 -67.1 -35.0 37.8 -8.6 -43.0 150 166 A W H X S+ 0 0 2 -4,-2.1 4,-2.5 -5,-0.2 5,-0.3 0.966 111.3 43.3 -57.6 -55.7 40.1 -7.8 -40.1 151 167 A R H X S+ 0 0 106 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.908 114.1 50.4 -59.7 -45.5 42.3 -5.6 -42.2 152 168 A E H X S+ 0 0 47 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.908 114.3 43.8 -61.9 -43.5 39.4 -3.9 -44.0 153 169 A F H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 5,-0.4 0.935 114.2 47.3 -70.0 -47.9 37.6 -3.0 -40.7 154 170 A Y H X>S+ 0 0 3 -4,-2.5 4,-1.9 1,-0.2 5,-1.5 0.882 110.6 53.3 -61.5 -40.4 40.7 -1.8 -38.7 155 171 A D H <>S+ 0 0 55 -4,-2.2 5,-1.1 -5,-0.3 -1,-0.2 0.896 119.2 34.8 -58.7 -40.6 41.8 0.4 -41.6 156 172 A K H <5S+ 0 0 77 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.832 126.7 35.1 -87.1 -37.0 38.4 2.1 -41.8 157 173 A A H <5S+ 0 0 0 -4,-3.2 -3,-0.2 -5,-0.1 -2,-0.2 0.723 131.7 25.0 -90.4 -25.3 37.3 2.1 -38.1 158 174 A G T ><5S+ 0 0 0 -4,-1.9 3,-1.7 -5,-0.4 -3,-0.2 0.864 121.9 38.3-100.7 -73.3 40.8 2.7 -36.6 159 175 A T G > S+ 0 0 3 -3,-1.7 4,-2.7 313,-0.2 -1,-0.3 0.123 72.9 116.2-113.1 22.5 40.4 8.7 -37.2 162 178 A R H <> S+ 0 0 47 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 0.923 79.5 47.4 -54.7 -50.3 43.9 9.1 -35.9 163 179 A S H > S+ 0 0 79 -4,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.873 113.5 48.3 -64.3 -37.7 44.0 12.9 -36.2 164 180 A Q H > S+ 0 0 63 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.911 111.1 50.6 -65.4 -44.1 40.6 13.2 -34.4 165 181 A F H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.912 107.7 54.3 -60.9 -42.6 41.7 10.8 -31.7 166 182 A E H X S+ 0 0 49 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.884 110.2 45.2 -56.6 -44.3 44.9 12.9 -31.2 167 183 A R H X S+ 0 0 74 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.868 110.0 55.8 -69.5 -37.6 42.9 16.1 -30.7 168 184 A Y H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.908 106.2 50.5 -58.2 -45.7 40.5 14.3 -28.3 169 185 A V H X S+ 0 0 9 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.917 111.0 49.8 -59.1 -44.2 43.4 13.2 -26.1 170 186 A E H X S+ 0 0 94 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.915 115.3 41.9 -59.7 -46.3 44.6 16.8 -26.0 171 187 A L H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.850 111.9 54.0 -74.7 -36.3 41.2 18.2 -25.0 172 188 A N H X S+ 0 0 5 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.923 111.4 47.2 -58.1 -46.8 40.5 15.3 -22.5 173 189 A T H X S+ 0 0 30 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.924 110.6 51.2 -60.8 -48.0 43.8 16.2 -20.8 174 190 A K H X S+ 0 0 91 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.900 111.7 48.2 -57.2 -43.0 43.0 19.9 -20.8 175 191 A A H X S+ 0 0 2 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.909 109.6 51.4 -63.5 -46.6 39.6 19.2 -19.2 176 192 A A H ><>S+ 0 0 5 -4,-2.3 5,-2.6 1,-0.2 3,-0.7 0.923 110.7 48.8 -56.9 -45.5 41.1 16.9 -16.5 177 193 A K H ><5S+ 0 0 109 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.814 104.5 58.0 -68.3 -32.3 43.6 19.5 -15.6 178 194 A L H 3<5S+ 0 0 88 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.735 108.2 48.0 -66.3 -23.4 40.9 22.2 -15.3 179 195 A N T <<5S- 0 0 35 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.277 123.4-112.8 -93.9 6.1 39.3 19.9 -12.8 180 196 A N T < 5S+ 0 0 152 -3,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.700 74.3 132.7 63.2 25.2 42.7 19.6 -11.1 181 197 A F < - 0 0 49 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.709 65.7-123.2 -88.4 155.8 43.2 15.9 -11.9 182 198 A T S S- 0 0 96 -2,-0.3 2,-0.3 1,-0.2 -5,-0.2 0.876 82.4 -27.7 -66.0 -38.4 46.7 15.1 -13.4 183 199 A S S > S- 0 0 1 -7,-0.2 4,-1.6 -8,-0.0 3,-0.5 -0.934 76.7 -77.5-163.0 177.9 45.1 13.6 -16.5 184 200 A G H > S+ 0 0 2 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.685 122.1 65.8 -62.5 -20.7 41.9 11.9 -17.8 185 201 A A H > S+ 0 0 0 252,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.939 104.6 42.8 -64.1 -47.9 43.1 8.6 -16.1 186 202 A E H > S+ 0 0 46 -3,-0.5 4,-1.4 2,-0.2 -2,-0.2 0.835 111.2 55.8 -68.7 -34.1 42.7 10.2 -12.7 187 203 A A H < S+ 0 0 28 -4,-1.6 4,-0.4 2,-0.2 -1,-0.2 0.917 111.8 43.5 -62.9 -42.8 39.4 11.8 -13.7 188 204 A W H >< S+ 0 0 34 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.934 112.1 52.4 -65.8 -46.7 38.1 8.3 -14.7 189 205 A L H >< S+ 0 0 18 -4,-2.6 3,-1.9 1,-0.3 5,-0.4 0.737 92.9 74.6 -63.3 -24.8 39.5 6.6 -11.5 190 206 A D G >< S+ 0 0 41 -4,-1.4 3,-1.6 1,-0.3 -1,-0.3 0.784 81.8 70.5 -59.0 -29.4 37.8 9.2 -9.3 191 207 A E G < S+ 0 0 103 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.669 93.8 56.0 -61.2 -19.4 34.5 7.4 -10.0 192 208 A Y G < S- 0 0 0 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.444 94.8-144.8 -96.4 -1.7 35.7 4.5 -7.8 193 209 A E < + 0 0 83 -3,-1.6 2,-0.3 -4,-0.2 -3,-0.1 0.831 63.2 107.0 42.6 51.2 36.3 6.7 -4.8 194 210 A D > - 0 0 50 -5,-0.4 3,-1.7 1,-0.0 4,-0.2 -0.817 57.4-156.3-161.1 111.5 39.4 4.7 -3.7 195 211 A D T 3 S+ 0 0 159 1,-0.3 3,-0.1 -2,-0.3 4,-0.1 0.555 98.1 50.2 -73.1 -6.6 43.0 5.9 -4.0 196 212 A T T 3> S+ 0 0 72 1,-0.1 4,-2.1 2,-0.1 -1,-0.3 0.175 76.7 112.9-108.6 16.2 44.3 2.3 -4.0 197 213 A F H <> S+ 0 0 3 -3,-1.7 4,-1.8 1,-0.2 5,-0.1 0.853 73.6 50.5 -62.2 -40.8 41.9 1.1 -6.7 198 214 A E H > S+ 0 0 65 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.935 111.7 47.5 -61.0 -49.0 44.6 0.5 -9.4 199 215 A Q H > S+ 0 0 113 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.864 108.2 56.3 -61.9 -38.2 46.8 -1.6 -7.1 200 216 A Q H X S+ 0 0 41 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.908 109.7 45.4 -58.4 -45.2 43.7 -3.6 -6.0 201 217 A L H X S+ 0 0 1 -4,-1.8 4,-3.1 2,-0.2 5,-0.2 0.880 110.7 52.9 -67.6 -40.3 43.0 -4.5 -9.6 202 218 A E H X S+ 0 0 61 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.922 110.8 48.6 -58.1 -45.0 46.7 -5.4 -10.3 203 219 A D H X S+ 0 0 90 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.917 114.9 43.3 -62.2 -47.4 46.6 -7.7 -7.2 204 220 A I H X S+ 0 0 16 -4,-2.3 4,-1.5 2,-0.2 3,-0.4 0.928 113.5 51.1 -64.6 -47.0 43.4 -9.4 -8.3 205 221 A F H X S+ 0 0 10 -4,-3.1 4,-2.3 1,-0.2 3,-0.3 0.908 106.5 55.4 -57.6 -42.8 44.5 -9.7 -12.0 206 222 A A H < S+ 0 0 57 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.821 106.1 52.0 -58.8 -34.5 47.8 -11.3 -10.8 207 223 A D H < S+ 0 0 129 -4,-1.2 4,-0.3 -3,-0.4 -1,-0.2 0.843 117.1 37.2 -70.0 -36.3 45.9 -14.0 -9.0 208 224 A I H >X S+ 0 0 10 -4,-1.5 4,-1.6 -3,-0.3 3,-0.9 0.704 95.5 85.7 -89.6 -23.2 43.7 -14.9 -12.0 209 225 A R H 3X S+ 0 0 69 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.842 82.4 58.2 -49.5 -45.1 46.4 -14.5 -14.7 210 226 A P H 3> S+ 0 0 72 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.885 105.8 50.5 -56.8 -39.1 47.9 -18.0 -14.3 211 227 A L H <> S+ 0 0 15 -3,-0.9 4,-2.1 -4,-0.3 -2,-0.2 0.895 108.3 52.6 -63.0 -41.4 44.5 -19.5 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-1,-0.3 -5,-0.2 -2,-0.2 0.594 83.8 104.7 -74.4 -15.2 23.5 -19.6 -19.4 391 407 A T S <> S- 0 0 0 -3,-1.3 4,-2.5 -4,-0.3 5,-0.2 -0.398 78.2-127.0 -69.3 144.0 23.3 -22.6 -17.1 392 408 A P H > S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.869 111.2 62.6 -51.5 -36.6 22.1 -26.0 -18.4 393 409 A K H > S+ 0 0 48 1,-0.2 4,-1.4 2,-0.2 8,-0.1 0.947 109.5 35.8 -54.2 -55.7 19.6 -25.8 -15.5 394 410 A H H > S+ 0 0 10 -6,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.900 115.0 55.2 -67.9 -41.5 17.9 -22.7 -16.8 395 411 A L H <>S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.2 6,-1.5 0.808 106.9 50.9 -67.5 -29.4 18.1 -23.5 -20.5 396 412 A E H ><5S+ 0 0 94 -4,-2.1 3,-1.2 -5,-0.2 -1,-0.2 0.865 105.5 57.7 -68.9 -39.0 16.4 -26.9 -19.9 397 413 A K H 3<5S+ 0 0 124 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.851 109.0 44.2 -57.7 -38.5 13.6 -25.1 -18.0 398 414 A I T 3<5S- 0 0 47 -4,-1.5 -1,-0.2 3,-0.0 -2,-0.2 0.291 114.7-115.3 -95.5 9.9 12.8 -22.9 -21.1 399 415 A G T < 5S+ 0 0 21 -3,-1.2 -3,-0.2 2,-0.2 -2,-0.1 0.656 85.6 113.8 70.2 18.8 13.0 -25.8 -23.5 400 416 A L 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433 A L H X S+ 0 0 22 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.898 111.5 47.0 -56.3 -44.8 32.7 -22.3 -22.5 418 434 A T H >X S+ 0 0 11 -4,-2.2 4,-3.2 1,-0.2 3,-1.2 0.914 111.0 51.9 -63.2 -43.5 32.0 -19.8 -19.7 419 435 A A H 3X>S+ 0 0 0 -4,-2.4 5,-2.0 1,-0.3 4,-1.5 0.832 96.8 66.1 -62.8 -35.1 35.8 -19.2 -19.2 420 436 A L H 3<5S+ 0 0 0 -4,-2.2 -169,-2.7 3,-0.2 -168,-0.3 0.743 117.7 28.9 -59.3 -22.9 36.2 -18.4 -22.9 421 437 A D H <5S+ 0 0 0 -4,-1.5 3,-1.3 -5,-0.2 -1,-0.2 0.903 116.8 54.9 -84.8 -46.1 38.4 -15.2 -17.9 424 440 A V T 3> S+ 0 0 5 -3,-1.3 4,-2.0 -4,-0.3 -1,-0.2 0.922 98.6 38.7 -61.3 -51.8 40.0 -9.9 -18.1 427 443 A P H > S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.898 116.7 54.8 -66.0 -34.6 43.3 -9.0 -19.7 428 444 A F H X S+ 0 0 3 -4,-0.9 4,-1.5 2,-0.2 -2,-0.2 0.960 109.5 45.2 -55.9 -55.0 41.5 -7.5 -22.7 429 445 A A H X S+ 0 0 0 -4,-3.1 4,-1.1 1,-0.2 -1,-0.2 0.878 111.5 53.0 -59.2 -41.0 39.4 -5.1 -20.5 430 446 A F H X S+ 0 0 1 -4,-2.0 4,-2.5 -5,-0.2 3,-0.3 0.905 107.3 52.6 -62.2 -41.9 42.5 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