==== 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 2X92 . 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) . 24355.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 421 70.3 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 . 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 . 18 3.0 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 48.4 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 3 1 1 2 0 1 0 1 1 3 1 1 0 2 2 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 . 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 17 A A > 0 0 128 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-176.4 25.9 31.2 10.7 2 18 A L H > + 0 0 79 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.730 360.0 60.8 -76.3 -27.4 26.3 27.5 9.6 3 19 A V H > S+ 0 0 115 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.934 110.7 40.0 -66.5 -47.4 23.1 26.1 11.1 4 20 A K H > S+ 0 0 60 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.856 114.8 53.8 -68.7 -36.9 20.7 28.3 9.1 5 21 A E H X S+ 0 0 46 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.881 104.6 53.4 -66.8 -40.3 22.9 28.0 5.9 6 22 A E H X S+ 0 0 31 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.865 108.1 51.2 -63.2 -38.4 22.8 24.2 6.0 7 23 A I H X S+ 0 0 103 -4,-1.3 4,-1.2 2,-0.2 -1,-0.2 0.915 113.5 44.9 -62.0 -44.5 18.9 24.3 6.2 8 24 A Q H X S+ 0 0 125 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.869 108.7 56.8 -66.8 -39.5 19.0 26.7 3.1 9 25 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.864 102.3 56.0 -59.7 -39.4 21.5 24.5 1.3 10 26 A K H X S+ 0 0 118 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.887 109.5 45.5 -60.3 -41.7 19.2 21.5 1.6 11 27 A E H X S+ 0 0 122 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.872 111.5 53.1 -68.7 -40.1 16.4 23.5 -0.1 12 28 A Y H X S+ 0 0 53 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.925 110.5 47.3 -57.6 -47.8 18.9 24.7 -2.8 13 29 A L H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.892 107.6 54.5 -64.3 -43.1 19.9 21.1 -3.5 14 30 A E H X S+ 0 0 119 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.918 115.2 40.0 -58.9 -44.7 16.4 19.7 -3.8 15 31 A N H X S+ 0 0 100 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.895 114.7 51.4 -69.8 -44.7 15.5 22.3 -6.4 16 32 A L H X S+ 0 0 10 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.881 106.7 54.5 -63.6 -39.7 18.8 22.2 -8.3 17 33 A N H X S+ 0 0 7 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.943 109.3 47.3 -58.0 -49.3 18.6 18.4 -8.6 18 34 A K H X S+ 0 0 133 -4,-1.4 4,-2.0 -5,-0.2 -1,-0.2 0.884 112.5 50.2 -59.1 -41.4 15.1 18.5 -10.2 19 35 A E H X S+ 0 0 83 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.903 110.7 49.1 -64.1 -42.4 16.4 21.3 -12.6 20 36 A L H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.890 109.2 52.1 -64.8 -41.4 19.4 19.2 -13.6 21 37 A A H X S+ 0 0 11 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.936 112.3 46.6 -57.4 -45.8 17.3 16.1 -14.2 22 38 A K H X S+ 0 0 127 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.894 114.0 45.9 -67.3 -43.4 15.0 18.2 -16.5 23 39 A R H X S+ 0 0 80 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.847 113.6 50.1 -65.7 -36.6 17.9 19.8 -18.4 24 40 A T H X S+ 0 0 15 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.821 102.7 60.9 -73.8 -32.1 19.7 16.4 -18.8 25 41 A N H X S+ 0 0 17 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.924 105.3 48.7 -54.2 -46.3 16.4 14.9 -20.1 26 42 A V H X S+ 0 0 76 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.902 112.8 46.5 -63.3 -43.7 16.6 17.4 -23.0 27 43 A E H X S+ 0 0 43 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.911 112.2 51.2 -63.2 -43.7 20.3 16.6 -23.7 28 44 A T H X S+ 0 0 17 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.876 106.8 53.3 -63.9 -40.0 19.6 12.9 -23.5 29 45 A E H X S+ 0 0 64 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.911 110.1 48.3 -60.0 -43.6 16.7 13.1 -26.0 30 46 A A H X S+ 0 0 18 -4,-1.7 4,-1.6 2,-0.2 16,-0.2 0.892 111.9 48.8 -63.0 -42.5 18.9 14.9 -28.4 31 47 A A H X S+ 0 0 15 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.850 110.9 51.5 -65.9 -35.5 21.6 12.3 -28.0 32 48 A W H X S+ 0 0 23 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.926 107.3 51.9 -65.8 -46.2 19.0 9.5 -28.5 33 49 A A H X S+ 0 0 40 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.858 112.7 45.9 -59.9 -38.0 17.8 11.1 -31.8 34 50 A Y H >< S+ 0 0 4 -4,-1.6 3,-0.5 8,-0.2 -1,-0.2 0.898 111.7 50.7 -71.8 -42.1 21.3 11.2 -33.1 35 51 A G H 3< S+ 0 0 5 -4,-2.1 284,-2.5 1,-0.2 3,-0.2 0.779 115.6 42.5 -66.5 -28.8 22.2 7.7 -32.1 36 52 A S H 3< S+ 0 0 7 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.550 131.7 22.3 -89.4 -13.0 19.0 6.3 -33.7 37 53 A N S << S- 0 0 63 -4,-0.5 2,-0.7 -3,-0.5 -1,-0.3 -0.608 75.1-154.5-162.7 82.6 19.4 8.5 -36.8 38 54 A I + 0 0 8 279,-2.4 279,-0.4 -3,-0.2 2,-0.3 -0.564 36.5 139.5 -74.3 110.4 22.9 9.8 -37.7 39 55 A T > - 0 0 51 -2,-0.7 4,-2.1 277,-0.1 5,-0.1 -0.945 63.2-112.8-141.5 161.1 22.6 13.0 -39.7 40 56 A D H > S+ 0 0 125 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.830 118.1 54.7 -63.3 -32.9 24.4 16.4 -39.7 41 57 A E H > S+ 0 0 128 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.882 110.3 44.1 -67.0 -43.2 21.2 18.0 -38.5 42 58 A N H > S+ 0 0 20 2,-0.2 4,-2.6 -5,-0.2 -8,-0.2 0.830 111.7 53.5 -72.5 -34.5 20.9 15.7 -35.5 43 59 A E H X S+ 0 0 38 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.965 110.1 47.7 -59.6 -54.3 24.6 16.0 -34.7 44 60 A K H X S+ 0 0 127 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.892 114.0 47.7 -52.7 -46.8 24.3 19.8 -34.7 45 61 A K H X S+ 0 0 105 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.900 112.8 47.6 -63.1 -46.0 21.2 19.6 -32.4 46 62 A K H X S+ 0 0 41 -4,-2.6 4,-1.9 -16,-0.2 -2,-0.2 0.929 114.5 46.0 -60.2 -48.3 22.9 17.1 -30.0 47 63 A N H X S+ 0 0 14 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.784 110.4 52.9 -70.5 -28.5 26.1 19.2 -29.7 48 64 A E H X S+ 0 0 105 -4,-1.8 4,-1.5 -5,-0.3 -1,-0.2 0.887 109.0 48.5 -75.5 -38.2 24.3 22.5 -29.2 49 65 A I H X S+ 0 0 46 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.910 111.1 52.4 -63.6 -42.2 22.1 21.2 -26.3 50 66 A S H X S+ 0 0 5 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.896 107.2 50.4 -61.0 -44.5 25.3 19.8 -24.7 51 67 A A H X S+ 0 0 33 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.850 110.4 51.9 -60.4 -36.5 27.1 23.1 -24.9 52 68 A E H X S+ 0 0 126 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.901 111.5 45.1 -67.8 -43.7 24.1 24.7 -23.3 53 69 A L H X S+ 0 0 20 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.882 110.3 54.9 -67.7 -39.3 24.0 22.2 -20.4 54 70 A A H X S+ 0 0 4 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.915 106.1 52.5 -58.1 -44.4 27.8 22.6 -20.0 55 71 A K H X S+ 0 0 137 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.879 109.8 48.4 -58.5 -41.5 27.4 26.3 -19.6 56 72 A F H X S+ 0 0 22 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.882 107.4 55.5 -67.4 -40.1 24.8 25.8 -16.9 57 73 A M H X S+ 0 0 38 -4,-2.3 4,-3.3 2,-0.2 5,-0.2 0.858 103.1 55.7 -60.1 -39.4 27.1 23.3 -15.1 58 74 A K H X S+ 0 0 69 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.916 108.5 47.6 -57.5 -46.1 29.8 26.0 -14.9 59 75 A E H X S+ 0 0 119 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.884 113.5 49.0 -62.2 -39.8 27.4 28.3 -13.2 60 76 A V H X S+ 0 0 4 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.943 111.4 47.3 -65.3 -49.5 26.4 25.5 -10.8 61 77 A A H < S+ 0 0 15 -4,-3.3 4,-0.5 1,-0.2 3,-0.5 0.910 113.8 49.5 -58.8 -42.7 30.0 24.6 -10.0 62 78 A S H >< S+ 0 0 72 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.875 107.2 55.1 -61.5 -40.1 30.7 28.3 -9.5 63 79 A D H >< S+ 0 0 55 -4,-2.1 3,-1.3 1,-0.2 4,-0.3 0.719 93.2 69.8 -69.0 -23.0 27.7 28.6 -7.2 64 80 A T G >< S+ 0 0 5 -4,-1.3 3,-1.0 -3,-0.5 5,-0.5 0.755 88.5 64.9 -65.8 -24.2 28.9 25.8 -4.9 65 81 A T G < S+ 0 0 106 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.634 90.6 65.6 -73.8 -13.7 31.7 28.1 -3.6 66 82 A K G < S+ 0 0 164 -3,-1.3 2,-0.4 -4,-0.2 -1,-0.2 0.655 94.7 70.7 -79.7 -17.4 29.0 30.3 -2.1 67 83 A F S < S- 0 0 38 -3,-1.0 2,-1.7 -4,-0.3 3,-0.3 -0.851 80.4-136.6-102.0 136.9 28.1 27.5 0.3 68 84 A Q > + 0 0 104 -2,-0.4 3,-1.9 1,-0.2 4,-0.3 -0.319 47.8 154.5 -79.7 53.5 30.3 26.5 3.1 69 85 A W G > + 0 0 17 -2,-1.7 3,-1.6 -5,-0.5 -1,-0.2 0.808 61.1 60.1 -62.9 -33.7 29.5 22.9 2.2 70 86 A R G 3 S+ 0 0 183 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.701 103.3 56.0 -65.2 -17.7 32.7 21.3 3.6 71 87 A S G < S+ 0 0 60 -3,-1.9 -1,-0.3 7,-0.0 -2,-0.2 0.509 85.0 115.6 -88.9 -6.4 31.7 22.7 7.0 72 88 A Y < - 0 0 5 -3,-1.6 -69,-0.1 -4,-0.3 -3,-0.0 -0.180 62.2-140.5 -71.8 158.4 28.3 21.0 7.1 73 89 A Q S S+ 0 0 166 -70,-0.0 2,-0.5 5,-0.0 -1,-0.1 0.850 79.2 84.0 -81.7 -39.3 27.1 18.3 9.5 74 90 A S > - 0 0 41 1,-0.2 4,-2.1 2,-0.0 5,-0.2 -0.557 59.4-161.5 -75.8 118.4 25.2 16.1 7.1 75 91 A E H > S+ 0 0 136 -2,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.876 93.8 57.2 -60.4 -38.8 27.4 13.7 5.1 76 92 A D H > S+ 0 0 65 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.899 107.0 45.4 -60.7 -46.3 24.5 13.4 2.6 77 93 A L H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.929 113.6 50.2 -65.4 -43.4 24.5 17.1 1.8 78 94 A K H X S+ 0 0 48 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.902 109.0 52.1 -59.2 -42.9 28.3 17.2 1.6 79 95 A R H X S+ 0 0 53 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.895 109.9 49.1 -62.4 -40.8 28.3 14.2 -0.8 80 96 A Q H X S+ 0 0 13 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.919 111.4 47.9 -64.8 -46.7 25.7 16.0 -3.0 81 97 A F H < S+ 0 0 0 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.894 110.1 53.5 -60.4 -40.7 27.7 19.2 -3.2 82 98 A K H >< S+ 0 0 91 -4,-2.4 3,-1.2 1,-0.2 4,-0.5 0.891 104.7 54.4 -62.0 -40.7 30.8 17.3 -3.9 83 99 A A H >< S+ 0 0 38 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.865 105.0 55.6 -57.6 -36.3 29.0 15.6 -6.9 84 100 A L T 3< S+ 0 0 4 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.540 97.3 62.4 -76.7 -9.9 28.2 19.1 -8.2 85 101 A T T < S+ 0 0 44 -3,-1.2 2,-1.6 -4,-0.5 -1,-0.2 0.610 79.7 95.3 -86.0 -12.4 31.9 20.2 -8.2 86 102 A K < + 0 0 74 -3,-1.0 -1,-0.1 -4,-0.5 4,-0.1 -0.569 42.9 160.9 -89.2 83.2 32.7 17.5 -10.8 87 103 A L > + 0 0 37 -2,-1.6 3,-1.6 1,-0.2 -1,-0.2 0.794 14.1 178.3 -70.2 -34.9 32.5 19.3 -14.1 88 104 A G G > S- 0 0 36 1,-0.3 3,-1.8 2,-0.2 4,-0.2 -0.414 74.5 -5.1 60.3-133.4 34.4 16.9 -16.3 89 105 A Y G > S+ 0 0 51 1,-0.3 3,-2.2 2,-0.2 -1,-0.3 0.771 125.2 75.7 -59.0 -28.7 34.5 18.2 -19.9 90 106 A A G < S+ 0 0 9 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.557 79.8 72.6 -64.6 -8.1 32.1 21.0 -18.9 91 107 A A G < S+ 0 0 16 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.694 78.0 102.5 -75.6 -20.6 35.1 22.8 -17.3 92 108 A L S < S- 0 0 0 -3,-2.2 5,-0.1 -4,-0.2 83,-0.0 -0.299 87.4 -94.6 -64.4 144.8 36.5 23.5 -20.7 93 109 A P >> - 0 0 60 0, 0.0 4,-2.6 0, 0.0 3,-0.5 -0.248 45.1-101.3 -53.9 149.7 36.2 27.0 -22.2 94 110 A E H 3> S+ 0 0 126 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.850 122.0 45.2 -41.4 -54.2 33.1 27.4 -24.5 95 111 A D H 3> S+ 0 0 129 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.859 113.2 49.9 -63.2 -39.8 35.1 27.0 -27.8 96 112 A D H <> S+ 0 0 25 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.864 109.4 51.3 -68.4 -38.4 37.2 24.1 -26.5 97 113 A Y H X S+ 0 0 26 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.923 109.6 50.3 -62.4 -44.8 34.1 22.2 -25.4 98 114 A A H X S+ 0 0 41 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.876 110.7 50.0 -60.8 -39.8 32.5 22.7 -28.8 99 115 A E H X S+ 0 0 69 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.882 109.7 50.2 -66.7 -39.7 35.6 21.4 -30.5 100 116 A L H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.911 110.0 50.6 -65.2 -43.0 35.7 18.3 -28.2 101 117 A L H X S+ 0 0 16 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.901 110.8 48.7 -60.0 -43.6 32.0 17.6 -29.0 102 118 A D H X S+ 0 0 90 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.854 112.5 49.7 -62.8 -37.5 32.7 17.9 -32.8 103 119 A T H X S+ 0 0 12 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.917 111.0 48.6 -67.3 -45.1 35.7 15.6 -32.3 104 120 A L H X S+ 0 0 30 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.900 113.1 45.6 -63.9 -44.3 33.7 13.0 -30.4 105 121 A S H X S+ 0 0 3 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.832 109.0 56.9 -71.2 -30.3 30.8 12.8 -32.9 106 122 A A H X S+ 0 0 31 -4,-1.6 4,-1.5 -5,-0.2 -1,-0.2 0.906 112.1 42.9 -63.1 -40.4 33.2 12.7 -35.8 107 123 A M H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.923 115.8 45.4 -72.4 -46.5 34.8 9.5 -34.2 108 124 A E H X S+ 0 0 29 -4,-2.4 4,-2.1 375,-0.2 -2,-0.2 0.884 115.1 47.9 -66.5 -38.2 31.5 7.8 -33.2 109 125 A S H X S+ 0 0 16 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.861 108.4 54.4 -72.3 -35.9 29.9 8.5 -36.5 110 126 A N H < S+ 0 0 47 -4,-1.5 3,-0.4 -5,-0.3 4,-0.3 0.949 111.1 46.5 -57.1 -49.1 32.9 7.2 -38.5 111 127 A F H >< S+ 0 0 20 -4,-2.0 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5,-0.2 -0.390 77.3-128.9 -70.1 145.0 23.3 -22.7 -17.1 392 408 A P H > S+ 0 0 3 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.888 111.2 62.0 -53.4 -38.8 22.1 -26.0 -18.5 393 409 A K H > S+ 0 0 50 1,-0.2 4,-1.2 2,-0.2 132,-0.1 0.920 111.2 34.6 -52.3 -51.6 19.7 -26.0 -15.5 394 410 A H H > S+ 0 0 11 -6,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.887 114.3 56.2 -74.5 -40.6 18.0 -22.8 -16.8 395 411 A L H <>S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 6,-1.2 0.817 106.8 51.4 -65.4 -29.9 18.2 -23.5 -20.5 396 412 A E H ><5S+ 0 0 93 -4,-2.2 3,-1.3 -5,-0.2 -1,-0.2 0.882 104.9 57.0 -69.4 -40.7 16.5 -26.9 -20.0 397 413 A K H 3<5S+ 0 0 124 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.873 110.0 44.0 -55.2 -41.8 13.6 -25.2 -18.1 398 414 A I T 3<5S- 0 0 50 -4,-1.6 -1,-0.3 1,-0.0 -2,-0.2 0.303 115.6-115.2 -92.7 9.1 12.9 -22.9 -21.0 399 415 A G T < 5S+ 0 0 20 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.676 84.3 115.2 71.0 21.6 13.1 -25.7 -23.6 400 416 A L S - 0 0 54 -2,-1.3 4,-2.2 1,-0.1 5,-0.2 -0.230 64.5 -87.7 -79.5 178.5 28.3 -35.8 -16.6 408 424 A D H > S+ 0 0 131 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S+ 0 0 10 -4,-2.3 4,-3.0 1,-0.2 3,-1.2 0.907 110.1 53.1 -64.7 -42.6 32.1 -19.8 -19.8 419 435 A A H 3X>S+ 0 0 0 -4,-2.4 5,-1.9 1,-0.3 4,-1.3 0.798 96.7 66.4 -62.2 -32.1 35.8 -19.2 -19.3 420 436 A L H 3<5S+ 0 0 0 -4,-1.9 -169,-2.7 3,-0.2 -168,-0.3 0.712 115.9 29.8 -64.1 -21.7 36.2 -18.4 -23.0 421 437 A D H <>5S+ 0 0 21 -3,-1.2 4,-1.3 -4,-0.5 -2,-0.2 0.836 129.0 35.8 -92.7 -57.9 34.1 -15.3 -22.2 422 438 A K H <5S+ 0 0 20 -4,-3.0 4,-0.5 2,-0.2 -3,-0.2 0.864 124.8 32.2 -77.0 -42.8 34.8 -14.5 -18.6 423 439 A I T ><5S+ 0 0 1 -4,-1.3 3,-1.3 -5,-0.2 -3,-0.2 0.927 117.2 54.5 -79.8 -46.8 38.6 -15.2 -18.1 424 440 A V T 3> S+ 0 0 5 -3,-1.3 4,-2.1 -4,-0.5 -1,-0.2 0.942 99.1 39.5 -61.2 -54.2 40.0 -9.9 -18.2 427 443 A P H > S+ 0 0 1 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.887 116.4 54.9 -63.3 -32.5 43.4 -9.1 -19.8 428 444 A F H X S+ 0 0 3 -4,-0.9 4,-1.5 1,-0.2 -2,-0.2 0.964 109.5 45.3 -58.0 -54.1 41.5 -7.5 -22.7 429 445 A A H X S+ 0 0 0 -4,-3.0 4,-1.0 1,-0.2 -1,-0.2 0.839 110.6 54.3 -60.6 -37.3 39.6 -5.2 -20.5 430 446 A F H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 3,-0.2 0.908 107.8 49.9 -65.2 -41.1 42.7 -4.2 -18.5 431 447 A T H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.787 98.4 65.5 -71.1 -30.2 44.6 -3.2 -21.7 432 448 A M H X S+ 0 0 3 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.921 116.1 29.2 -59.1 -44.1 41.9 -1.0 -23.1 433 449 A D H X S+ 0 0 0 -4,-1.0 4,-3.8 -3,-0.2 5,-0.3 0.866 114.2 60.9 -85.8 -37.3 42.3 1.4 -20.2 434 450 A K H X S+ 0 0 29 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.902 109.6 46.9 -51.0 -41.5 46.0 0.7 -19.5 435 451 A Y H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.952 115.0 42.9 -64.5 -52.8 46.6 2.0 -23.0 436 452 A R H X S+ 0 0 0 -4,-1.3 4,-3.0 -5,-0.2 5,-0.2 0.871 111.9 54.9 -67.4 -37.2 44.4 5.1 -22.7 437 453 A W H X S+ 0 0 9 -4,-3.8 4,-2.5 1,-0.2 -252,-0.2 0.926 107.0 51.8 -55.7 -45.4 45.8 5.9 -19.3 438 454 A S H <>S+ 0 0 17 -4,-1.8 5,-2.5 -5,-0.3 6,-0.8 0.839 113.4 43.2 -65.9 -33.6 49.3 5.8 -20.8 439 455 A L H ><5S+ 0 0 5 -4,-1.6 3,-1.1 3,-0.2 -1,-0.2 0.910 114.4 50.1 -73.1 -45.6 48.3 8.2 -23.5 440 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