==== 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 2X91 . 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, . 595 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24250.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 420 70.6 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 . 7 1.2 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 . 19 3.2 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 . 290 48.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 2 0 4 0 1 1 0 2 0 1 1 3 1 1 0 1 3 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 20 A K >> 0 0 121 0, 0.0 3,-0.8 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 -11.5 22.0 26.9 78.3 2 21 A E H 3> + 0 0 71 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.734 360.0 74.5 -66.8 -24.7 23.1 27.5 74.6 3 22 A E H 3> S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.798 87.6 58.8 -59.1 -34.8 22.5 23.8 74.0 4 23 A I H <> S+ 0 0 111 -3,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.940 109.6 42.7 -61.4 -48.7 18.7 24.3 74.0 5 24 A Q H X S+ 0 0 126 -4,-0.6 4,-2.0 1,-0.2 -2,-0.2 0.871 114.1 52.5 -62.6 -40.9 19.0 26.8 71.1 6 25 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.874 104.7 55.1 -64.3 -41.0 21.5 24.5 69.4 7 26 A K H X S+ 0 0 123 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.902 110.9 45.1 -57.9 -44.2 19.2 21.5 69.7 8 27 A E H X S+ 0 0 121 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.848 111.2 54.2 -69.0 -36.6 16.4 23.4 67.9 9 28 A Y H X S+ 0 0 51 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.911 110.9 45.0 -61.2 -45.9 18.9 24.7 65.3 10 29 A L H X S+ 0 0 3 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.906 108.6 56.0 -66.7 -44.9 20.0 21.1 64.4 11 30 A E H X S+ 0 0 115 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.921 114.7 39.6 -53.8 -48.3 16.4 19.7 64.3 12 31 A N H X S+ 0 0 100 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.880 115.8 50.9 -69.0 -41.4 15.5 22.4 61.7 13 32 A L H X S+ 0 0 11 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.887 106.1 54.7 -67.0 -41.3 18.8 22.1 59.8 14 33 A N H X S+ 0 0 5 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.907 109.3 47.9 -56.9 -43.5 18.7 18.3 59.5 15 34 A K H X S+ 0 0 130 -4,-1.3 4,-1.8 -5,-0.3 -1,-0.2 0.875 111.8 50.1 -68.2 -36.9 15.2 18.6 57.9 16 35 A E H X S+ 0 0 80 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.877 109.7 51.0 -65.1 -40.1 16.4 21.3 55.5 17 36 A L H X S+ 0 0 6 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.886 108.5 51.7 -66.2 -39.6 19.4 19.1 54.5 18 37 A A H X S+ 0 0 11 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.929 111.5 47.6 -59.5 -46.4 17.2 16.1 53.8 19 38 A K H X S+ 0 0 134 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.885 114.2 45.1 -64.8 -43.3 15.0 18.3 51.5 20 39 A R H X S+ 0 0 80 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.831 113.4 50.8 -69.1 -33.9 17.9 19.8 49.6 21 40 A T H X S+ 0 0 10 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.820 101.8 62.2 -74.9 -31.5 19.6 16.4 49.3 22 41 A N H X S+ 0 0 21 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.920 104.5 48.2 -53.2 -46.8 16.3 14.9 47.9 23 42 A V H X S+ 0 0 73 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.893 112.8 47.1 -63.6 -44.0 16.6 17.4 45.0 24 43 A E H X S+ 0 0 46 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.923 112.5 50.0 -62.3 -46.1 20.3 16.4 44.3 25 44 A T H X S+ 0 0 16 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.883 107.9 52.7 -63.0 -41.4 19.5 12.7 44.6 26 45 A E H X S+ 0 0 65 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.905 111.6 47.0 -59.8 -42.9 16.6 13.0 42.1 27 46 A A H X S+ 0 0 17 -4,-1.8 4,-1.7 2,-0.2 16,-0.3 0.880 113.1 48.1 -64.7 -40.9 18.9 14.8 39.6 28 47 A A H X S+ 0 0 14 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.835 111.9 50.6 -68.8 -35.3 21.6 12.1 40.1 29 48 A W H X S+ 0 0 22 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.917 108.3 52.2 -64.3 -46.6 19.0 9.4 39.7 30 49 A A H < S+ 0 0 36 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.860 112.7 45.1 -59.7 -39.2 17.8 11.0 36.5 31 50 A Y H >< S+ 0 0 5 -4,-1.7 3,-0.6 8,-0.2 -1,-0.2 0.906 113.0 48.6 -71.6 -45.1 21.3 11.1 35.0 32 51 A G H 3< S+ 0 0 6 -4,-2.1 284,-2.7 1,-0.2 3,-0.3 0.793 115.9 44.9 -64.9 -31.0 22.2 7.5 36.1 33 52 A S T 3< S+ 0 0 8 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.577 131.8 19.6 -82.6 -13.4 19.0 6.2 34.6 34 53 A N S < S- 0 0 62 -3,-0.6 2,-0.7 -4,-0.5 -1,-0.3 -0.606 75.1-152.2-166.8 82.1 19.4 8.3 31.4 35 54 A I + 0 0 8 279,-2.6 279,-0.4 -3,-0.3 2,-0.3 -0.543 36.7 141.3 -74.2 110.2 22.8 9.7 30.5 36 55 A T > - 0 0 52 -2,-0.7 4,-2.1 1,-0.1 5,-0.2 -0.952 62.1-112.8-139.9 161.3 22.5 12.9 28.4 37 56 A D H > S+ 0 0 127 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.866 118.8 50.4 -59.2 -37.0 24.3 16.2 28.2 38 57 A E H > S+ 0 0 130 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.894 110.7 46.4 -71.3 -42.7 21.3 17.9 29.6 39 58 A N H > S+ 0 0 21 2,-0.2 4,-2.6 1,-0.2 -8,-0.2 0.835 110.9 54.2 -67.3 -34.8 20.9 15.6 32.6 40 59 A E H X S+ 0 0 40 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.945 108.8 48.5 -60.0 -51.2 24.6 15.8 33.3 41 60 A K H X S+ 0 0 122 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.889 113.5 47.6 -55.0 -44.7 24.3 19.6 33.4 42 61 A K H X S+ 0 0 99 -4,-2.0 4,-1.9 2,-0.2 5,-0.2 0.905 111.1 49.7 -66.9 -45.2 21.3 19.4 35.8 43 62 A K H X S+ 0 0 43 -4,-2.6 4,-1.8 -16,-0.3 -2,-0.2 0.934 115.5 43.0 -57.1 -49.3 22.9 16.9 38.1 44 63 A N H X S+ 0 0 12 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.784 111.5 53.0 -73.7 -29.6 26.1 18.9 38.5 45 64 A E H X S+ 0 0 106 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.889 110.6 46.9 -74.2 -38.4 24.4 22.3 38.9 46 65 A I H X S+ 0 0 46 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.892 111.6 52.6 -66.4 -41.2 22.1 21.1 41.7 47 66 A S H X S+ 0 0 6 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.903 107.9 50.6 -59.7 -44.2 25.2 19.5 43.4 48 67 A A H X S+ 0 0 36 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.866 110.1 50.7 -60.5 -39.4 27.1 22.9 43.2 49 68 A E H X S+ 0 0 123 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.880 111.7 46.4 -67.0 -41.1 24.1 24.6 44.8 50 69 A L H X S+ 0 0 8 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.877 109.8 54.5 -68.7 -38.3 24.0 22.0 47.6 51 70 A A H X S+ 0 0 8 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.902 106.0 52.9 -59.4 -43.0 27.8 22.4 48.1 52 71 A K H X S+ 0 0 122 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.880 109.7 48.4 -60.3 -41.6 27.3 26.2 48.5 53 72 A F H X S+ 0 0 26 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.899 108.6 52.9 -66.5 -42.7 24.7 25.6 51.2 54 73 A M H X S+ 0 0 57 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.898 105.9 54.9 -59.4 -42.1 26.9 23.1 53.1 55 74 A K H X S+ 0 0 79 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.918 108.6 47.4 -57.4 -45.5 29.7 25.7 53.1 56 75 A E H X S+ 0 0 108 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.836 111.4 52.8 -64.6 -33.0 27.4 28.2 54.7 57 76 A V H X S+ 0 0 7 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.926 108.1 48.6 -68.0 -46.2 26.4 25.6 57.2 58 77 A A H X S+ 0 0 15 -4,-2.9 4,-0.5 1,-0.2 3,-0.2 0.887 112.5 49.9 -60.9 -39.9 29.9 24.8 58.2 59 78 A S H >< S+ 0 0 73 -4,-2.2 3,-1.0 -5,-0.2 4,-0.2 0.900 108.3 52.9 -62.7 -43.9 30.6 28.5 58.6 60 79 A D H >< S+ 0 0 59 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.727 94.6 70.2 -66.1 -25.0 27.4 28.9 60.8 61 80 A T H >< S+ 0 0 4 -4,-1.4 3,-1.8 1,-0.2 5,-0.4 0.785 86.0 67.7 -63.5 -27.3 28.5 26.0 63.1 62 81 A T T << S+ 0 0 107 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.666 87.0 68.4 -68.2 -17.1 31.3 28.3 64.5 63 82 A K T < S+ 0 0 138 -3,-1.3 2,-0.4 -4,-0.2 -1,-0.3 0.586 93.7 71.7 -74.5 -12.4 28.6 30.5 66.0 64 83 A F S < S- 0 0 17 -3,-1.8 2,-1.6 -4,-0.2 3,-0.3 -0.909 78.3-140.4-109.1 134.4 27.9 27.6 68.4 65 84 A Q > + 0 0 116 -2,-0.4 3,-2.1 1,-0.2 4,-0.2 -0.286 46.6 154.1 -80.4 51.1 30.3 26.6 71.2 66 85 A W G > + 0 0 18 -2,-1.6 3,-1.5 -5,-0.4 -1,-0.2 0.768 60.5 60.3 -63.1 -31.5 29.5 23.0 70.3 67 86 A R G 3 S+ 0 0 181 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.685 102.1 57.3 -65.9 -17.6 32.7 21.4 71.7 68 87 A S G < S+ 0 0 85 -3,-2.1 -1,-0.3 7,-0.0 -2,-0.2 0.462 85.6 118.1 -88.7 -3.8 31.7 22.8 75.1 69 88 A Y < - 0 0 12 -3,-1.5 -3,-0.0 -4,-0.2 6,-0.0 -0.227 61.1-143.9 -73.6 153.3 28.4 21.0 75.2 70 89 A Q S S+ 0 0 163 1,-0.0 2,-0.6 2,-0.0 -1,-0.1 0.841 79.8 85.0 -76.2 -37.5 27.2 18.3 77.7 71 90 A S > - 0 0 38 1,-0.2 4,-2.2 2,-0.0 5,-0.2 -0.574 58.2-164.7 -78.5 115.0 25.3 16.3 75.1 72 91 A E H > S+ 0 0 137 -2,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.848 92.7 57.3 -60.2 -34.8 27.4 13.8 73.1 73 92 A D H > S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.924 107.3 44.6 -64.1 -47.5 24.6 13.6 70.6 74 93 A L H > S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.927 114.6 50.0 -62.6 -44.9 24.5 17.3 69.9 75 94 A K H X S+ 0 0 48 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.892 108.9 52.1 -59.3 -42.6 28.3 17.3 69.6 76 95 A R H X S+ 0 0 55 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.902 110.9 47.7 -61.8 -42.3 28.3 14.3 67.2 77 96 A Q H X S+ 0 0 12 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.933 112.4 48.0 -64.8 -48.3 25.8 16.1 64.9 78 97 A F H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.895 109.3 53.9 -59.0 -41.9 27.7 19.3 64.9 79 98 A K H X S+ 0 0 100 -4,-2.5 4,-0.9 1,-0.2 3,-0.5 0.918 106.4 52.4 -59.8 -44.2 31.0 17.5 64.1 80 99 A A H < S+ 0 0 43 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.863 107.6 53.1 -57.6 -38.4 29.3 15.8 61.1 81 100 A L H < S+ 0 0 15 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.762 101.6 58.3 -70.2 -27.8 28.2 19.2 59.8 82 101 A T H < S+ 0 0 42 -4,-1.4 2,-0.9 -3,-0.5 -1,-0.2 0.741 86.1 88.4 -73.7 -22.7 31.8 20.6 60.0 83 102 A K < + 0 0 75 -4,-0.9 -1,-0.1 -3,-0.5 4,-0.1 -0.690 51.9 170.8 -84.6 105.6 33.0 17.9 57.6 84 103 A L > - 0 0 36 -2,-0.9 3,-1.5 1,-0.2 -1,-0.2 0.713 10.3-173.2 -90.5 -26.2 32.5 19.3 54.1 85 104 A G G > S- 0 0 38 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 -0.399 75.9 -8.1 60.5-136.0 34.3 16.9 51.8 86 105 A Y G > S+ 0 0 51 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.756 126.0 76.3 -60.6 -26.2 34.3 18.2 48.2 87 106 A A G < S+ 0 0 7 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.611 79.8 72.2 -63.4 -12.6 32.0 21.0 49.2 88 107 A A G < S+ 0 0 18 -3,-1.8 -1,-0.3 84,-0.1 -2,-0.2 0.688 78.7 101.2 -73.1 -20.1 35.0 22.7 50.9 89 108 A L S < S- 0 0 1 -3,-2.0 5,-0.1 -4,-0.2 83,-0.0 -0.273 87.7 -92.9 -65.8 149.6 36.5 23.5 47.4 90 109 A P > - 0 0 58 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.248 45.6-102.1 -53.8 153.3 36.1 27.0 45.8 91 110 A E H > S+ 0 0 140 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.878 121.6 44.3 -47.1 -52.1 33.1 27.3 43.6 92 111 A D H > S+ 0 0 127 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.855 112.7 51.5 -64.9 -38.8 35.0 27.0 40.3 93 112 A D H > S+ 0 0 25 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.862 109.5 49.8 -68.0 -37.8 37.1 24.0 41.6 94 113 A Y H X S+ 0 0 28 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.895 109.8 51.1 -67.1 -41.0 34.0 22.1 42.7 95 114 A A H X S+ 0 0 41 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.902 110.5 49.4 -62.3 -42.3 32.4 22.6 39.3 96 115 A E H X S+ 0 0 72 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.906 110.1 50.9 -63.0 -42.9 35.5 21.4 37.6 97 116 A L H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.915 109.1 51.0 -61.2 -44.5 35.6 18.3 39.8 98 117 A L H X S+ 0 0 15 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.898 110.7 48.5 -59.0 -43.5 31.9 17.5 39.1 99 118 A D H X S+ 0 0 90 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.862 111.8 50.2 -64.9 -37.5 32.5 17.7 35.4 100 119 A T H X S+ 0 0 14 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.905 110.7 49.3 -66.7 -43.2 35.6 15.5 35.7 101 120 A L H X S+ 0 0 34 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.887 112.4 46.3 -64.1 -43.1 33.6 12.9 37.7 102 121 A S H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.868 108.9 56.8 -70.5 -34.0 30.7 12.8 35.2 103 122 A A H X S+ 0 0 30 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.905 112.2 42.4 -58.0 -43.3 33.2 12.5 32.3 104 123 A M H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.927 116.4 45.0 -72.4 -47.2 34.7 9.4 33.9 105 124 A E H X S+ 0 0 31 -4,-2.5 4,-2.4 375,-0.3 -2,-0.2 0.914 115.8 47.1 -65.2 -41.9 31.4 7.7 35.0 106 125 A S H X S+ 0 0 17 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.879 109.8 53.5 -68.4 -38.7 29.7 8.4 31.6 107 126 A N H < S+ 0 0 48 -4,-1.7 3,-0.5 -5,-0.3 4,-0.3 0.949 111.3 46.8 -55.0 -51.3 32.8 7.2 29.7 108 127 A F H >< S+ 0 0 19 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.918 113.5 48.1 -55.1 -48.4 32.6 3.9 31.7 109 128 A A H 3< S+ 0 0 22 -4,-2.4 206,-0.4 1,-0.2 -1,-0.2 0.687 111.2 50.8 -70.5 -20.0 28.9 3.5 31.1 110 129 A K T 3< S+ 0 0 84 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.305 76.3 132.7-102.3 6.8 29.2 4.2 27.4 111 130 A V < + 0 0 10 -3,-1.1 15,-0.4 -4,-0.3 2,-0.4 -0.394 28.6 175.6 -63.7 129.7 31.9 1.7 26.6 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128 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.872 110.7 49.5 -73.7 -34.2 42.5 -15.9 23.0 142 161 A E H > S+ 0 0 28 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.945 111.7 49.0 -63.6 -49.4 38.8 -14.7 23.0 143 162 A L H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.898 110.5 50.6 -55.8 -44.6 39.0 -13.8 26.7 144 163 A A H X S+ 0 0 20 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.841 107.2 54.9 -65.5 -36.0 42.3 -11.9 26.1 145 164 A Y H X S+ 0 0 59 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.953 111.1 43.2 -59.7 -52.2 40.7 -9.9 23.2 146 165 A Y H X S+ 0 0 4 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.836 111.8 54.9 -67.6 -33.8 37.8 -8.7 25.3 147 166 A W H X S+ 0 0 2 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.963 111.8 43.2 -60.3 -53.1 40.0 -7.9 28.3 148 167 A R H X S+ 0 0 105 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.918 114.3 49.9 -61.2 -46.9 42.3 -5.7 26.1 149 168 A E H X S+ 0 0 46 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.920 114.7 44.1 -59.4 -45.9 39.3 -4.0 24.3 150 169 A F H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.4 0.932 114.8 46.3 -67.4 -47.3 37.5 -3.2 27.6 151 170 A Y H X>S+ 0 0 4 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-4,-2.2 5,-2.6 1,-0.2 3,-0.7 0.908 110.5 50.1 -59.3 -43.5 41.0 16.9 51.6 174 193 A K H ><5S+ 0 0 108 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.826 104.3 57.6 -68.0 -31.9 43.6 19.5 52.6 175 194 A L H 3<5S+ 0 0 88 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.700 107.9 48.3 -69.0 -20.5 40.9 22.2 52.8 176 195 A N T <<5S- 0 0 35 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.305 123.8-113.4 -94.2 4.8 39.2 19.9 55.4 177 196 A N T < 5S+ 0 0 153 -3,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.680 73.9 133.3 64.9 23.0 42.7 19.6 57.1 178 197 A F < - 0 0 48 -5,-2.6 -1,-0.3 -6,-0.1 -2,-0.2 -0.694 65.4-123.3 -86.4 155.2 43.2 15.9 56.2 179 198 A T S S- 0 0 95 -2,-0.3 2,-0.3 1,-0.2 -5,-0.2 0.882 82.3 -27.2 -66.7 -39.2 46.6 15.0 54.8 180 199 A S S > S- 0 0 1 -7,-0.2 4,-1.7 -8,-0.0 3,-0.4 -0.920 76.8 -77.9-160.8 179.7 45.0 13.5 51.7 181 200 A G H > S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.713 122.5 66.2 -62.5 -22.3 41.8 11.8 50.4 182 201 A A H > S+ 0 0 0 252,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.940 104.3 42.5 -62.9 -48.7 43.0 8.6 52.1 183 202 A E H > S+ 0 0 47 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2,-0.1 -1,-0.3 0.187 75.9 112.6-108.8 14.9 44.3 2.3 64.2 194 213 A F H <> S+ 0 0 2 -3,-1.8 4,-1.9 1,-0.2 5,-0.2 0.868 74.8 50.6 -59.8 -42.6 41.8 1.1 61.5 195 214 A E H > S+ 0 0 65 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.932 111.6 47.5 -60.3 -48.0 44.5 0.5 58.8 196 215 A Q H > S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.875 108.3 56.3 -62.3 -38.3 46.7 -1.5 61.2 197 216 A Q H X S+ 0 0 40 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.900 109.8 44.9 -58.2 -44.3 43.6 -3.5 62.2 198 217 A L H X S+ 0 0 1 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.872 110.3 53.6 -70.5 -39.1 42.9 -4.5 58.6 199 218 A E H X S+ 0 0 58 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.917 110.7 48.9 -57.8 -43.1 46.6 -5.3 57.9 200 219 A D H X S+ 0 0 89 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.917 114.1 43.8 -63.7 -46.8 46.5 -7.6 61.0 201 220 A I H X S+ 0 0 14 -4,-2.1 4,-1.5 2,-0.2 3,-0.4 0.928 113.4 51.2 -65.4 -46.4 43.3 -9.4 59.9 202 221 A F H X S+ 0 0 9 -4,-3.0 4,-2.4 1,-0.2 3,-0.4 0.916 106.5 54.8 -57.6 -44.6 44.4 -9.7 56.3 203 222 A A H < S+ 0 0 57 -4,-2.3 -1,-0.2 1,-0.2 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122,-0.1 0.817 98.8 59.6 -66.1 -34.0 31.3 -1.4 55.7 374 393 A F H <> S+ 0 0 2 -3,-1.2 4,-1.3 2,-0.2 3,-0.3 0.918 102.7 51.9 -59.3 -44.7 28.1 -1.9 57.7 375 394 A H H < S+ 0 0 20 -4,-1.1 4,-0.5 1,-0.2 3,-0.2 0.900 111.7 47.0 -60.9 -40.2 26.0 -0.8 54.8 376 395 A E H X S+ 0 0 9 -4,-1.2 4,-0.6 1,-0.2 -1,-0.2 0.747 108.5 56.5 -72.3 -25.1 27.7 -3.2 52.5 377 396 A A H X S+ 0 0 0 -4,-1.4 4,-1.8 -3,-0.3 -1,-0.2 0.800 87.4 74.4 -80.3 -31.2 27.4 -6.2 54.9 378 397 A V H >X S+ 0 0 1 -4,-1.3 4,-1.0 1,-0.2 3,-0.6 0.915 101.1 38.5 -52.8 -59.0 23.6 -6.3 55.5 379 398 A G H 3> S+ 0 0 0 -4,-0.5 4,-2.1 -31,-0.5 -1,-0.2 0.811 112.4 58.0 -65.0 -33.1 22.5 -7.8 52.1 380 399 A D H 3X S+ 0 0 14 -4,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.800 97.6 61.6 -68.3 -31.0 25.5 -10.2 51.9 381 400 A V H < S+ 0 0 0 -4,-1.0 3,-1.0 -3,-0.4 6,-0.5 0.849 113.2 56.1 -79.2 -33.4 22.1 -18.1 53.8 386 405 A V H 3< S+ 0 0 2 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.889 104.2 56.1 -59.1 -39.2 20.4 -17.9 50.4 387 406 A S T 3< S+ 0 0 11 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.591 86.5 106.3 -69.4 -15.5 23.5 -19.6 48.9 388 407 A T S <> S- 0 0 0 -3,-1.0 4,-2.6 -4,-0.3 5,-0.2 -0.348 77.3-128.5 -69.5 145.7 23.2 -22.6 51.2 389 408 A P H > S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.887 110.9 62.4 -54.0 -38.8 22.0 -26.0 49.9 390 409 A K H > S+ 0 0 48 1,-0.2 4,-1.2 2,-0.2 132,-0.1 0.942 111.1 34.5 -50.6 -55.4 19.5 -25.8 52.8 391 410 A H H > S+ 0 0 12 -6,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.897 114.9 55.7 -70.4 -42.0 17.8 -22.7 51.5 392 411 A L H <>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 6,-1.3 0.820 107.0 51.0 -65.8 -30.5 18.1 -23.5 47.8 393 412 A E H ><5S+ 0 0 93 -4,-2.2 3,-1.2 4,-0.2 -1,-0.2 0.864 105.4 57.5 -68.9 -37.4 16.3 -26.8 48.3 394 413 A K H 3<5S+ 0 0 122 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.868 109.6 43.6 -59.6 -39.7 13.5 -25.0 50.2 395 414 A I T 3<5S- 0 0 46 -4,-1.6 -1,-0.3 1,-0.0 -2,-0.2 0.296 114.9-116.5 -93.1 9.5 12.8 -22.8 47.2 396 415 A G T < 5S+ 0 0 19 -3,-1.2 -3,-0.2 2,-0.2 -2,-0.1 0.698 84.3 115.7 67.8 23.0 13.1 -25.7 44.8 397 416 A L S - 0 0 55 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0 0 1 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.810 97.9 65.2 -67.2 -32.4 44.4 -3.2 46.6 429 448 A M H X S+ 0 0 2 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.939 115.1 30.1 -56.5 -46.8 41.7 -1.0 45.2 430 449 A D H X S+ 0 0 0 -4,-1.1 4,-3.3 -3,-0.2 5,-0.2 0.822 113.9 60.1 -85.7 -30.2 42.1 1.5 48.1 431 450 A K H X S+ 0 0 32 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.916 109.7 47.6 -57.7 -40.9 45.9 0.8 48.7 432 451 A Y H X S+ 0 0 1 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.975 115.9 40.6 -61.5 -57.8 46.3 2.0 45.2 433 452 A R H X S+ 0 0 0 -4,-1.6 4,-3.1 -5,-0.2 5,-0.2 0.881 112.7 55.5 -64.3 -38.1 44.2 5.1 45.4 434 453 A W H X S+ 0 0 9 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.899 107.1 51.3 -55.7 -42.6 45.5 5.9 48.9 435 454 A S H <>S+ 0 0 15 -4,-1.7 5,-2.7 -5,-0.2 6,-0.7 0.837 113.0 44.3 -68.5 -33.7 49.1 5.8 47.4 436 455 A L H ><5S+ 0 0 6 -4,-1.6 3,-1.2 3,-0.2 -2,-0.2 0.924 114.7 48.9 -71.0 -46.6 48.1 8.3 44.7 437 456 A F H 3<5S+ 0 0 5 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.876 110.8 50.3 -59.2 -43.0 46.2 10.5 47.1 438 457 A R T 3<5S- 0 0 66 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.487 113.6-118.6 -76.2 -4.9 49.1 10.6 49.5 439 458 A G T < 5S+ 0 0 61 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.829 73.1 133.1 70.8 34.2 51.5 11.5 46.7 440 459 A E < + 0 0 130 -5,-2.7 2,-0.4 -6,-0.2 -4,-0.2 0.577 59.0 57.9 -92.6 -13.1 53.6 8.4 47.2 441 460 A V S S- 0 0 31 -6,-0.7 2,-0.1 -5,-0.1 -1,-0.1 -0.982 82.0-128.1-123.3 125.8 53.7 7.4 43.5 442 461 A D > - 0 0 121 -2,-0.4 3,-2.8 1,-0.1 4,-0.2 -0.453 27.5-115.4 -67.4 143.9 55.1 9.7 40.7 443 462 A K G > S+ 0 0 123 1,-0.3 3,-1.0 2,-0.2 4,-0.2 0.760 115.3 64.3 -51.5 -30.5 52.8 10.2 37.7 444 463 A A G 3 S+ 0 0 69 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.688 108.0 41.0 -65.9 -18.9 55.3 8.4 35.5 445 464 A N G <> S+ 0 0 68 -3,-2.8 4,-1.8 1,-0.1 -1,-0.2 0.252 79.4 111.3-115.6 11.5 54.7 5.2 37.6 446 465 A W H <> S+ 0 0 14 -3,-1.0 4,-1.0 -4,-0.2 -1,-0.1 0.833 78.6 44.4 -61.1 -40.5 50.9 5.2 38.1 447 466 A N H > S+ 0 0 0 -4,-0.2 4,-1.8 2,-0.2 3,-0.3 0.925 115.4 44.4 -74.7 -44.3 50.0 2.3 35.9 448 467 A c H > S+ 0 0 2 1,-0.2 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