==== 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 2X97 . 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) . 434 72.5 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 . 22 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 12.4 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 . 15 2.5 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 0 130 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 169.2 25.8 31.5 78.3 2 18 A L H > + 0 0 82 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.799 360.0 57.6 -80.8 -34.6 26.2 27.9 77.4 3 19 A V H > S+ 0 0 122 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.940 113.2 41.8 -63.1 -43.1 23.1 26.3 78.8 4 20 A K H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.863 113.3 53.1 -72.3 -38.4 20.9 28.6 76.8 5 21 A E H X S+ 0 0 39 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.908 105.1 54.1 -64.8 -40.8 23.0 28.3 73.7 6 22 A E H X S+ 0 0 31 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.854 108.4 50.2 -63.7 -36.7 22.8 24.4 73.8 7 23 A I H X S+ 0 0 102 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.931 113.0 46.6 -63.5 -45.0 19.0 24.6 73.9 8 24 A Q H X S+ 0 0 119 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.881 109.7 53.9 -63.8 -39.1 19.1 27.0 70.9 9 25 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.885 102.7 57.4 -62.8 -41.5 21.6 24.7 69.1 10 26 A K H X S+ 0 0 117 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.929 111.1 42.7 -55.0 -45.6 19.2 21.6 69.5 11 27 A E H X S+ 0 0 121 -4,-1.5 4,-2.0 1,-0.2 5,-0.2 0.887 111.2 56.3 -68.5 -37.2 16.4 23.6 67.6 12 28 A Y H X S+ 0 0 52 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.939 110.9 42.7 -60.5 -44.8 19.0 24.8 65.1 13 29 A L H X S+ 0 0 2 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.866 108.0 59.2 -66.7 -42.2 20.0 21.2 64.3 14 30 A E H X S+ 0 0 114 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.943 114.1 37.6 -55.3 -43.8 16.4 19.9 64.2 15 31 A N H X S+ 0 0 99 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.915 115.2 51.8 -74.0 -41.9 15.5 22.5 61.4 16 32 A L H X S+ 0 0 10 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.877 105.9 55.2 -64.0 -44.6 18.8 22.3 59.5 17 33 A N H X S+ 0 0 8 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.954 110.0 48.0 -53.0 -42.5 18.6 18.4 59.3 18 34 A K H X S+ 0 0 131 -4,-1.2 4,-2.2 -5,-0.3 -2,-0.2 0.915 111.7 48.5 -69.2 -38.6 15.2 18.7 57.7 19 35 A E H X S+ 0 0 80 -4,-2.3 4,-2.4 1,-0.2 -1,-0.3 0.874 111.1 50.1 -66.9 -41.2 16.4 21.3 55.3 20 36 A L H X S+ 0 0 2 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.905 108.6 52.1 -64.2 -40.4 19.4 19.2 54.3 21 37 A A H X S+ 0 0 12 -4,-2.5 4,-3.1 -5,-0.2 -2,-0.2 0.980 113.2 46.4 -59.0 -45.1 17.2 16.0 53.7 22 38 A K H X S+ 0 0 134 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.909 114.5 44.3 -66.0 -41.6 15.0 18.2 51.4 23 39 A R H X S+ 0 0 80 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.861 113.6 52.2 -71.0 -33.0 17.9 19.8 49.5 24 40 A T H X S+ 0 0 15 -4,-2.5 4,-3.2 -5,-0.2 5,-0.2 0.898 102.0 60.5 -73.9 -36.5 19.6 16.4 49.2 25 41 A N H X S+ 0 0 18 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.933 106.3 47.1 -44.6 -51.5 16.3 14.9 47.8 26 42 A V H X S+ 0 0 78 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.888 113.1 47.1 -63.1 -40.5 16.6 17.3 44.9 27 43 A E H X S+ 0 0 47 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.935 111.7 51.6 -69.1 -40.4 20.2 16.6 44.3 28 44 A T H X S+ 0 0 16 -4,-3.2 4,-2.7 2,-0.2 -2,-0.2 0.897 106.0 54.5 -64.3 -38.9 19.6 12.8 44.5 29 45 A E H X S+ 0 0 64 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.934 109.3 47.8 -61.3 -44.3 16.7 13.0 41.9 30 46 A A H X S+ 0 0 16 -4,-1.8 4,-1.7 2,-0.2 16,-0.2 0.879 112.3 48.0 -59.7 -37.6 19.0 14.7 39.5 31 47 A A H X S+ 0 0 17 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.889 112.9 50.4 -71.5 -41.4 21.9 12.1 40.0 32 48 A W H X S+ 0 0 24 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.933 108.4 52.2 -58.5 -48.3 19.2 9.3 39.6 33 49 A A H X S+ 0 0 37 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.881 112.5 44.9 -57.2 -39.0 17.9 10.8 36.3 34 50 A Y H < S+ 0 0 3 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.901 111.9 49.6 -77.8 -39.1 21.4 11.0 34.9 35 51 A G H < S+ 0 0 4 -4,-2.1 284,-2.7 1,-0.2 3,-0.2 0.752 116.2 46.0 -65.5 -27.2 22.4 7.4 35.9 36 52 A S H < S+ 0 0 7 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.597 131.3 17.0 -86.8 -22.4 19.1 6.2 34.4 37 53 A N S < S- 0 0 60 -4,-1.0 2,-0.6 -3,-0.3 -1,-0.3 -0.651 75.4-151.9-158.3 88.5 19.5 8.2 31.3 38 54 A I + 0 0 8 279,-2.1 279,-0.4 -3,-0.2 2,-0.3 -0.566 37.0 138.9 -76.2 113.8 22.9 9.6 30.3 39 55 A T > - 0 0 53 -2,-0.6 4,-2.5 1,-0.1 5,-0.2 -0.966 63.3-110.0-146.8 159.3 22.6 12.8 28.3 40 56 A D H > S+ 0 0 126 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.894 119.2 52.0 -55.2 -36.7 24.3 16.2 28.0 41 57 A E H > S+ 0 0 127 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.890 110.5 44.4 -73.5 -39.9 21.2 17.7 29.4 42 58 A N H > S+ 0 0 19 2,-0.2 4,-2.6 1,-0.2 -8,-0.2 0.841 109.9 57.4 -73.2 -32.6 20.9 15.5 32.5 43 59 A E H X S+ 0 0 40 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.966 108.6 46.7 -51.2 -56.2 24.7 15.8 33.1 44 60 A K H X S+ 0 0 125 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.911 113.3 48.8 -53.7 -45.8 24.2 19.6 33.3 45 61 A K H X S+ 0 0 108 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.884 112.2 47.3 -69.5 -41.9 21.2 19.3 35.6 46 62 A K H X S+ 0 0 45 -4,-2.6 4,-1.8 -16,-0.2 -1,-0.2 0.949 117.4 42.4 -57.4 -50.5 22.9 16.8 38.0 47 63 A N H X S+ 0 0 11 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.857 112.4 53.1 -75.5 -34.4 26.1 18.9 38.2 48 64 A E H X S+ 0 0 111 -4,-3.0 4,-1.7 -5,-0.3 -1,-0.2 0.928 110.4 46.1 -66.1 -43.7 24.3 22.3 38.5 49 65 A I H X S+ 0 0 48 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.878 111.4 53.9 -64.2 -39.8 22.1 21.1 41.4 50 66 A S H X S+ 0 0 8 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.905 106.6 50.6 -59.0 -46.8 25.2 19.6 43.1 51 67 A A H X S+ 0 0 38 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.852 110.1 51.9 -56.2 -37.1 27.1 23.0 42.9 52 68 A E H X S+ 0 0 127 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.916 110.8 45.3 -70.8 -42.9 24.0 24.7 44.4 53 69 A L H X S+ 0 0 16 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.877 109.5 56.5 -65.6 -39.1 23.9 22.2 47.4 54 70 A A H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.932 105.8 51.8 -57.0 -46.4 27.8 22.6 47.8 55 71 A K H X S+ 0 0 147 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.920 109.9 49.0 -57.5 -42.4 27.3 26.4 48.2 56 72 A F H X S+ 0 0 17 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.907 107.8 53.0 -63.9 -43.7 24.7 25.8 50.8 57 73 A M H X S+ 0 0 36 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.870 104.3 57.7 -62.8 -35.2 26.9 23.3 52.8 58 74 A K H X S+ 0 0 69 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.925 107.4 47.6 -56.7 -46.5 29.7 26.0 52.8 59 75 A E H X S+ 0 0 115 -4,-1.5 4,-3.1 2,-0.2 -2,-0.2 0.926 111.8 50.4 -59.2 -44.6 27.2 28.3 54.5 60 76 A V H X S+ 0 0 3 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.939 109.4 49.6 -60.7 -45.0 26.4 25.5 57.0 61 77 A A H X S+ 0 0 18 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.916 113.1 48.2 -65.8 -37.6 30.0 24.8 57.8 62 78 A S H >< S+ 0 0 71 -4,-2.2 3,-1.4 1,-0.2 4,-0.3 0.942 109.1 52.0 -63.8 -50.6 30.5 28.6 58.4 63 79 A D H >< S+ 0 0 40 -4,-3.1 3,-1.5 1,-0.2 4,-0.3 0.755 94.8 70.7 -58.5 -27.2 27.4 28.9 60.6 64 80 A T H >< S+ 0 0 5 -4,-1.9 3,-1.5 1,-0.2 5,-0.5 0.836 88.0 66.3 -58.7 -28.6 28.6 25.9 62.9 65 81 A T T << S+ 0 0 105 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.657 88.8 66.7 -67.3 -14.0 31.4 28.3 64.1 66 82 A K T < S+ 0 0 133 -3,-1.5 2,-0.4 -4,-0.3 -1,-0.3 0.642 93.9 69.7 -77.6 -12.4 28.6 30.5 65.8 67 83 A F S < S- 0 0 28 -3,-1.5 2,-1.5 -4,-0.3 3,-0.3 -0.910 79.6-138.4-108.4 134.7 27.9 27.6 68.1 68 84 A Q > + 0 0 101 -2,-0.4 3,-2.2 1,-0.2 4,-0.3 -0.340 46.6 156.6 -76.3 54.3 30.3 26.6 70.9 69 85 A W G > + 0 0 17 -2,-1.5 3,-2.2 -5,-0.5 -1,-0.2 0.850 61.4 59.4 -64.1 -33.4 29.5 23.0 70.0 70 86 A R G 3 S+ 0 0 182 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.739 103.1 56.1 -66.4 -16.7 32.7 21.4 71.4 71 87 A S G < S+ 0 0 63 -3,-2.2 -1,-0.3 -69,-0.0 -2,-0.2 0.454 85.4 115.3 -89.4 -2.6 31.7 22.8 74.8 72 88 A Y < - 0 0 7 -3,-2.2 -69,-0.1 -4,-0.3 -3,-0.0 -0.217 62.9-139.0 -73.6 161.2 28.3 21.1 74.9 73 89 A Q S S+ 0 0 166 1,-0.1 2,-0.7 -70,-0.0 -1,-0.1 0.860 80.9 84.5 -78.6 -39.1 27.1 18.5 77.4 74 90 A S > - 0 0 37 1,-0.2 4,-2.7 2,-0.1 5,-0.2 -0.557 57.9-164.6 -76.1 111.3 25.2 16.3 74.8 75 91 A E H > S+ 0 0 138 -2,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.874 93.0 57.8 -58.3 -33.1 27.4 13.9 73.0 76 92 A D H > S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.922 107.6 43.3 -68.3 -44.4 24.6 13.5 70.5 77 93 A L H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.926 114.0 51.3 -67.2 -40.7 24.4 17.2 69.7 78 94 A K H X S+ 0 0 47 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.914 108.2 52.9 -60.5 -39.8 28.3 17.4 69.4 79 95 A R H X S+ 0 0 55 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.906 110.2 48.0 -61.4 -41.4 28.2 14.4 67.1 80 96 A Q H X S+ 0 0 13 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.925 111.6 48.4 -64.7 -46.6 25.7 16.1 64.8 81 97 A F H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.916 109.7 52.9 -62.3 -42.6 27.7 19.4 64.7 82 98 A K H >X S+ 0 0 99 -4,-2.7 3,-1.1 -5,-0.2 4,-0.7 0.962 106.0 54.3 -57.5 -48.6 30.9 17.4 63.9 83 99 A A H >< S+ 0 0 39 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.892 107.1 52.1 -48.0 -42.7 29.0 15.7 60.9 84 100 A L H 3< S+ 0 0 6 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.693 99.9 62.1 -70.0 -21.7 28.1 19.3 59.5 85 101 A T H << S+ 0 0 41 -4,-1.1 2,-1.2 -3,-1.1 -1,-0.2 0.744 82.9 90.8 -74.8 -17.6 31.7 20.5 59.6 86 102 A K << + 0 0 76 -3,-1.0 -1,-0.1 -4,-0.7 93,-0.0 -0.660 46.3 164.2 -87.3 98.3 32.7 17.9 57.2 87 103 A L > - 0 0 37 -2,-1.2 3,-1.7 1,-0.2 -1,-0.2 0.684 14.2-177.2 -84.7 -26.3 32.3 19.5 53.8 88 104 A G G > S- 0 0 36 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 -0.301 74.2 -5.0 53.0-133.0 34.3 17.0 51.7 89 105 A Y G > S+ 0 0 52 1,-0.3 3,-2.3 2,-0.2 -1,-0.3 0.789 125.3 74.3 -56.7 -30.2 34.4 18.2 48.0 90 106 A A G < S+ 0 0 8 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.534 80.1 74.6 -65.4 -6.7 32.1 21.1 48.8 91 107 A A G < S+ 0 0 17 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.694 78.1 102.4 -73.6 -15.4 35.0 22.8 50.6 92 108 A L S < S- 0 0 0 -3,-2.3 5,-0.1 -4,-0.2 83,-0.0 -0.362 88.0 -94.0 -71.3 145.0 36.4 23.6 47.1 93 109 A P >> - 0 0 59 0, 0.0 4,-2.5 0, 0.0 3,-0.5 -0.199 47.1-103.3 -47.8 144.1 36.2 27.1 45.5 94 110 A E H 3> S+ 0 0 141 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.841 120.7 46.2 -39.1 -54.4 33.1 27.3 43.2 95 111 A D H 3> S+ 0 0 128 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.850 113.3 48.3 -65.3 -37.8 35.0 26.9 40.0 96 112 A D H <> S+ 0 0 25 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.827 110.6 52.1 -71.1 -35.9 37.1 24.0 41.2 97 113 A Y H X S+ 0 0 22 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.940 110.8 47.3 -65.0 -45.0 34.0 22.2 42.5 98 114 A A H X S+ 0 0 40 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.907 112.9 49.5 -62.1 -43.0 32.3 22.6 39.1 99 115 A E H X S+ 0 0 73 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.900 109.7 51.0 -60.1 -43.7 35.5 21.4 37.4 100 116 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.953 110.1 49.8 -62.2 -46.4 35.6 18.4 39.7 101 117 A L H X S+ 0 0 15 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.914 110.0 49.4 -56.1 -42.2 32.0 17.5 39.0 102 118 A D H X S+ 0 0 89 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.841 111.5 52.1 -68.5 -28.4 32.5 17.7 35.1 103 119 A T H X S+ 0 0 13 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.962 108.6 48.2 -67.8 -51.8 35.5 15.5 35.6 104 120 A L H X S+ 0 0 30 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.905 113.7 47.4 -56.1 -44.3 33.6 12.8 37.6 105 121 A S H X S+ 0 0 3 -4,-2.2 4,-2.7 -5,-0.2 5,-0.3 0.890 107.5 55.4 -72.4 -32.7 30.8 12.8 35.0 106 122 A A H X S+ 0 0 29 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.948 113.4 43.1 -62.1 -44.7 33.2 12.5 32.1 107 123 A M H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.908 116.0 44.4 -64.9 -47.3 34.7 9.4 33.7 108 124 A E H X S+ 0 0 29 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.904 116.0 47.7 -72.0 -35.2 31.6 7.7 34.8 109 125 A S H X S+ 0 0 16 -4,-2.7 4,-1.8 -5,-0.3 -2,-0.2 0.901 108.9 54.9 -71.6 -37.2 29.9 8.4 31.4 110 126 A N H < S+ 0 0 49 -4,-2.5 4,-0.5 -5,-0.3 3,-0.4 0.963 111.5 45.0 -51.3 -53.4 33.0 7.2 29.6 111 127 A F H >< S+ 0 0 18 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.936 112.2 50.4 -56.6 -50.1 32.7 3.9 31.5 112 128 A A H 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1,-0.3 -3,-0.1 -2,-0.3 -1,-0.1 0.437 87.4 66.2 -70.0 6.5 34.3 -6.8 13.3 123 139 A T T 3 S+ 0 0 117 1,-0.1 2,-0.9 -5,-0.0 -1,-0.3 0.688 84.6 74.8 -95.9 -23.8 31.2 -5.4 11.9 124 140 A K < + 0 0 99 -3,-2.1 -6,-2.7 -6,-0.1 3,-0.2 -0.812 55.3 163.0 -99.8 100.8 29.2 -5.8 15.0 125 141 A a + 0 0 59 -2,-0.9 -8,-0.2 -8,-0.3 -1,-0.1 -0.101 44.4 87.3-119.2 42.2 30.3 -3.0 17.3 126 142 A D + 0 0 97 -11,-0.1 2,-0.6 2,-0.1 -1,-0.2 -0.152 44.3 136.5-130.7 32.8 27.7 -2.6 20.0 127 143 A L E -A 116 0A 10 -11,-2.0 -11,-2.0 -3,-0.2 2,-0.2 -0.802 37.1-161.4 -84.2 121.1 28.7 -5.2 22.7 128 144 A A E > -A 115 0A 11 -2,-0.6 5,-2.9 -13,-0.2 6,-0.3 -0.633 29.4-113.2 -93.8 162.0 28.4 -3.5 26.1 129 145 A L T >S+ 0 0 20 -15,-0.5 5,-2.8 1,-0.3 6,-0.3 0.951 99.6 74.5 -53.1 -50.0 30.2 -4.8 29.3 130 146 A D T 5S- 0 0 28 1,-0.2 -1,-0.3 3,-0.2 190,-0.1 -0.938 120.4 -14.0-114.4 113.9 26.8 -5.6 30.8 131 147 A P T >5S+ 0 0 35 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 -0.997 134.4 47.9-101.4 -12.4 25.7 -8.0 29.5 132 148 A E H >5S+ 0 0 68 1,-0.2 4,-1.5 2,-0.2 -3,-0.2 0.908 115.9 36.9 -64.9 -45.0 27.6 -8.8 26.3 133 149 A I H > - 0 0 68 1,-0.2 4,-2.6 2,-0.0 3,-0.3 -0.880 56.5-158.9 -96.4 104.0 38.9 -19.8 24.5 143 159 A H H > S+ 0 0 67 -2,-0.8 4,-2.0 1,-0.3 -1,-0.2 0.785 88.6 49.4 -61.4 -29.1 41.9 -18.1 26.0 144 160 A E H > S+ 0 0 126 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.895 110.5 50.0 -77.6 -37.4 42.5 -15.9 22.9 145 161 A E H > S+ 0 0 20 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.948 111.5 50.5 -57.9 -50.0 38.9 -14.8 22.7 146 162 A L H X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.899 110.3 48.6 -52.4 -44.1 39.1 -13.9 26.5 147 163 A A H X S+ 0 0 18 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.835 107.4 56.5 -69.9 -35.7 42.4 -11.9 25.9 148 164 A Y H X S+ 0 0 58 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.961 111.3 41.8 -59.2 -52.5 40.8 -10.0 23.0 149 165 A Y H X S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.877 112.7 55.0 -66.6 -37.3 37.8 -8.8 25.1 150 166 A W H X S+ 0 0 2 -4,-2.2 4,-2.6 -5,-0.2 5,-0.3 0.972 112.1 42.8 -57.3 -54.2 40.1 -8.0 28.1 151 167 A R H X S+ 0 0 103 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-4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.925 111.0 51.9 -66.6 -44.0 43.8 16.2 47.1 174 190 A K H X S+ 0 0 92 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.907 111.7 47.3 -60.2 -41.3 43.0 19.9 47.0 175 191 A A H X S+ 0 0 2 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.926 109.7 52.2 -64.5 -50.2 39.6 19.2 48.7 176 192 A A H ><>S+ 0 0 4 -4,-2.4 5,-2.4 1,-0.2 3,-0.6 0.917 110.0 49.3 -53.7 -46.5 41.0 16.9 51.3 177 193 A K H ><5S+ 0 0 108 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.860 104.2 57.7 -64.8 -31.6 43.6 19.5 52.3 178 194 A L H 3<5S+ 0 0 88 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.759 108.3 48.6 -65.9 -22.0 40.9 22.3 52.5 179 195 A N T <<5S- 0 0 35 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.352 122.9-115.4 -92.1 2.9 39.3 19.9 55.1 180 196 A N T < 5S+ 0 0 150 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.681 72.8 132.9 64.7 22.9 42.8 19.7 56.7 181 197 A F < - 0 0 49 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.1 -0.735 66.4-123.0 -84.1 153.8 43.2 16.0 56.0 182 198 A T S S- 0 0 93 -2,-0.3 2,-0.3 1,-0.2 -5,-0.2 0.881 82.6 -25.6 -66.7 -34.2 46.7 15.2 54.5 183 199 A S S > S- 0 0 0 -7,-0.2 4,-1.9 -8,-0.1 3,-0.3 -0.948 76.7 -78.9-164.6 176.8 45.0 13.6 51.5 184 200 A G H > S+ 0 0 2 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.725 122.0 66.0 -61.8 -22.1 41.9 11.9 50.1 185 201 A A H > S+ 0 0 0 252,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.967 105.1 42.4 -63.3 -50.4 43.1 8.6 51.8 186 202 A E H > S+ 0 0 47 -3,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.870 111.3 55.3 -65.9 -39.0 42.7 10.2 55.2 187 203 A A H < S+ 0 0 28 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.940 111.9 43.7 -58.3 -48.0 39.4 11.8 54.2 188 204 A W H >< S+ 0 0 31 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.946 112.7 51.9 -60.3 -45.3 38.0 8.3 53.2 189 205 A L H >< S+ 0 0 19 -4,-2.6 3,-2.1 1,-0.3 5,-0.4 0.763 92.0 75.3 -63.2 -27.5 39.5 6.7 56.4 190 206 A D G >< S+ 0 0 40 -4,-1.8 3,-1.7 1,-0.3 -1,-0.3 0.815 82.2 71.0 -57.1 -26.1 37.8 9.3 58.6 191 207 A E G < S+ 0 0 108 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.716 93.2 55.5 -63.7 -19.7 34.5 7.4 57.9 192 208 A Y G < S- 0 0 0 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.488 94.0-145.1 -91.8 -5.5 35.7 4.6 60.1 193 209 A E < + 0 0 80 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G T < 5S+ 0 0 23 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.665 84.8 114.8 76.7 17.7 13.0 -25.7 44.6 400 416 A L S - 0 0 54 -2,-1.9 4,-2.1 1,-0.1 5,-0.1 -0.142 64.3 -85.6 -79.1-173.8 28.1 -35.7 51.7 408 424 A D H > S+ 0 0 135 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.838 128.7 49.0 -62.1 -33.4 31.6 -34.6 52.7 409 425 A E H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.913 110.2 48.5 -73.9 -48.9 32.7 -34.1 49.1 410 426 A A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.885 109.7 55.8 -56.4 -36.9 29.7 -32.0 48.1 411 427 A R H X S+ 0 0 61 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.953 107.5 47.5 -65.1 -45.6 30.4 -30.0 51.3 412 428 A I H X S+ 0 0 14 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.902 109.2 53.6 -57.9 -44.7 33.9 -29.2 50.2 413 429 A N H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.902 112.7 45.7 -54.3 -41.2 32.8 -28.3 46.7 414 430 A Q H X S+ 0 0 8 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.902 112.5 47.8 -74.3 -42.1 30.3 -25.8 48.3 415 431 A L H X S+ 0 0 1 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.896 114.2 48.5 -61.0 -39.2 32.8 -24.3 50.7 416 432 A F 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A F H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.3 3,-0.3 0.938 107.0 51.0 -57.5 -41.9 42.4 -4.2 49.6 431 447 A T H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.802 97.0 66.8 -69.7 -28.8 44.4 -3.3 46.5 432 448 A M H X S+ 0 0 0 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.929 115.3 29.4 -58.5 -44.1 41.7 -1.0 45.0 433 449 A D H X S+ 0 0 0 -4,-1.1 4,-3.2 -3,-0.3 5,-0.3 0.820 114.0 59.4 -86.4 -31.7 42.2 1.4 47.9 434 450 A K H X S+ 0 0 32 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.937 110.7 48.2 -60.5 -36.8 45.9 0.8 48.6 435 451 A Y H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 3,-0.2 0.986 116.0 39.8 -63.4 -55.9 46.4 1.9 44.9 436 452 A R H X S+ 0 0 0 -4,-1.6 4,-2.9 -5,-0.2 5,-0.2 0.903 113.0 56.2 -66.2 -36.2 44.2 5.1 45.2 437 453 A W H X S+ 0 0 8 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.904 105.9 51.1 -57.6 -41.1 45.6 5.9 48.6 438 454 A S H <>S+ 0 0 17 -4,-1.9 5,-2.2 -5,-0.3 6,-0.7 0.858 112.9 45.8 -73.6 -26.9 49.2 5.9 47.3 439 455 A L H ><5S+ 0 0 6 -4,-1.7 3,-1.2 3,-0.2 -2,-0.2 0.949 114.0 48.4 -71.9 -45.8 48.2 8.3 44.4 440 456 A F H 3<5S+ 0 0 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