==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-OCT-03 1R42 . COMPND 2 MOLECULE: ANGIOTENSIN I CONVERTING ENZYME 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.TOWLER,B.STAKER,S.G.PRASAD,S.MENON,D.RYAN,J.TANG,T.PARSONS . 655 5 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 456 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 26 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 297 45.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 3 0 2 1 0 1 1 1 1 1 2 2 0 2 1 1 1 1 1 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 3 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 19 A S 0 0 134 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.6 94.7 70.4 45.7 2 20 A T >> - 0 0 87 1,-0.1 2,-2.4 0, 0.0 4,-2.3 -0.674 360.0-119.7 -89.3 140.4 92.1 67.9 46.8 3 21 A I T 34 S+ 0 0 56 -2,-0.3 -1,-0.1 1,-0.2 66,-0.0 0.005 115.7 52.5 -66.6 36.0 90.0 65.9 44.2 4 22 A E T 3> S+ 0 0 24 -2,-2.4 4,-1.8 66,-0.1 -1,-0.2 0.460 108.3 42.5-134.4 -49.5 87.1 67.6 45.9 5 23 A E H <> S+ 0 0 103 -3,-0.6 4,-0.7 2,-0.2 -2,-0.2 0.716 118.7 47.2 -77.3 -22.2 88.0 71.3 45.7 6 24 A Q H X S+ 0 0 46 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.790 110.0 52.5 -86.4 -28.4 89.2 70.8 42.2 7 25 A A H > S+ 0 0 0 -5,-0.4 4,-2.8 1,-0.2 -2,-0.2 0.874 108.3 53.1 -69.4 -36.5 86.0 68.9 41.4 8 26 A K H X S+ 0 0 82 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.834 110.5 45.6 -67.3 -31.0 84.3 71.9 42.8 9 27 A T H X S+ 0 0 60 -4,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.862 110.9 53.0 -79.8 -34.6 86.3 74.2 40.5 10 28 A F H X S+ 0 0 15 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.954 111.8 46.4 -60.8 -49.1 85.6 71.9 37.5 11 29 A L H X S+ 0 0 6 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.879 108.8 54.6 -61.0 -42.1 81.9 72.1 38.3 12 30 A D H X S+ 0 0 94 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.917 109.5 47.7 -60.9 -41.6 82.0 75.9 38.7 13 31 A K H X S+ 0 0 147 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.924 111.7 51.9 -64.0 -43.1 83.6 76.2 35.2 14 32 A F H X S+ 0 0 0 -4,-2.2 4,-4.3 1,-0.2 5,-0.4 0.932 105.3 53.3 -56.8 -52.9 81.0 73.8 33.8 15 33 A N H X S+ 0 0 24 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.883 112.6 43.5 -54.6 -43.1 77.9 75.7 35.1 16 34 A H H X S+ 0 0 135 -4,-1.5 4,-1.4 -5,-0.2 -1,-0.2 0.935 120.1 41.2 -71.7 -45.2 79.0 79.0 33.6 17 35 A E H X S+ 0 0 102 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.965 118.9 46.8 -65.1 -48.1 80.0 77.5 30.3 18 36 A A H X S+ 0 0 0 -4,-4.3 4,-2.7 1,-0.2 5,-0.3 0.900 107.1 56.0 -59.4 -46.2 76.9 75.2 30.2 19 37 A E H X S+ 0 0 41 -4,-2.5 4,-1.3 -5,-0.4 -1,-0.2 0.895 112.2 44.3 -55.6 -40.1 74.5 77.9 31.2 20 38 A D H X S+ 0 0 89 -4,-1.4 4,-2.0 -3,-0.2 -2,-0.2 0.920 115.2 44.4 -73.1 -44.3 75.7 79.9 28.2 21 39 A L H X S+ 0 0 32 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.833 113.5 51.6 -70.0 -30.8 75.8 77.2 25.6 22 40 A F H X S+ 0 0 64 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.858 109.2 51.4 -73.0 -33.5 72.4 75.9 26.7 23 41 A Y H X S+ 0 0 62 -4,-1.3 4,-2.5 -5,-0.3 -2,-0.2 0.897 110.6 46.9 -68.1 -40.9 71.0 79.4 26.4 24 42 A Q H X S+ 0 0 94 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.941 115.6 46.4 -65.2 -45.6 72.3 79.8 22.9 25 43 A S H X S+ 0 0 13 -4,-2.2 4,-1.8 22,-0.2 -2,-0.2 0.856 113.0 49.6 -64.2 -38.5 70.9 76.3 22.0 26 44 A S H X S+ 0 0 12 -4,-2.4 4,-2.3 307,-0.3 -2,-0.2 0.937 110.2 49.4 -66.0 -49.2 67.6 77.0 23.6 27 45 A L H X S+ 0 0 56 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.882 110.1 52.2 -56.8 -42.1 67.1 80.4 21.9 28 46 A A H X S+ 0 0 10 -4,-2.1 4,-1.7 1,-0.2 16,-0.3 0.926 110.8 46.5 -61.7 -45.8 67.9 78.8 18.6 29 47 A S H X S+ 0 0 29 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.843 109.2 55.7 -65.9 -33.0 65.3 76.1 19.1 30 48 A W H X S+ 0 0 14 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.859 104.4 53.2 -67.8 -34.9 62.8 78.6 20.2 31 49 A N H >X S+ 0 0 61 -4,-1.7 4,-1.9 1,-0.2 3,-0.6 0.932 110.5 47.4 -64.4 -46.8 63.2 80.6 16.9 32 50 A Y H 3< S+ 0 0 59 -4,-1.7 -1,-0.2 8,-0.4 -2,-0.2 0.798 112.4 47.8 -65.7 -33.1 62.5 77.4 14.9 33 51 A N H 3< S+ 0 0 33 -4,-1.7 292,-1.0 1,-0.2 -1,-0.2 0.564 119.9 39.4 -85.6 -8.8 59.4 76.4 16.9 34 52 A T H << S+ 0 0 15 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.591 133.4 20.7-109.4 -20.7 58.0 79.9 16.7 35 53 A N S < S- 0 0 52 -4,-1.9 2,-0.3 -5,-0.2 289,-0.2 -0.589 78.2-150.4-149.3 77.3 59.0 80.7 13.1 36 54 A I + 0 0 40 287,-2.5 2,-0.3 -3,-0.2 287,-0.2 -0.363 36.7 154.5 -55.9 112.6 59.7 77.5 11.2 37 55 A T > - 0 0 39 -2,-0.3 4,-0.7 1,-0.1 5,-0.1 -0.857 53.6-118.8-134.8 167.2 62.3 78.6 8.7 38 56 A E H > S+ 0 0 143 -2,-0.3 4,-0.9 2,-0.2 -1,-0.1 0.847 117.1 39.3 -78.9 -35.8 65.0 76.8 6.7 39 57 A E H > S+ 0 0 119 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.734 111.3 59.6 -83.8 -23.2 67.9 78.8 8.3 40 58 A N H > S+ 0 0 27 2,-0.2 4,-1.2 1,-0.2 -8,-0.4 0.745 105.9 47.4 -74.7 -23.4 66.2 78.8 11.6 41 59 A V H X S+ 0 0 35 -4,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.797 113.2 51.3 -82.1 -31.0 66.3 75.0 11.6 42 60 A Q H X S+ 0 0 94 -4,-0.9 4,-2.2 2,-0.2 5,-0.3 0.963 108.9 47.7 -67.5 -55.1 69.9 75.4 10.5 43 61 A N H X S+ 0 0 92 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.893 116.0 47.2 -53.7 -42.0 70.8 77.7 13.4 44 62 A M H X S+ 0 0 35 -4,-1.2 4,-2.7 -16,-0.3 5,-0.2 0.953 109.2 49.1 -67.3 -53.2 69.1 75.4 15.8 45 63 A N H X S+ 0 0 56 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.875 116.6 45.3 -57.3 -35.9 70.6 72.1 14.7 46 64 A N H X S+ 0 0 76 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.896 112.1 48.7 -74.4 -41.4 74.1 73.7 14.8 47 65 A A H X S+ 0 0 23 -4,-2.2 4,-1.2 -5,-0.3 -22,-0.2 0.850 113.6 50.8 -66.1 -31.1 73.5 75.4 18.2 48 66 A G H X S+ 0 0 17 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.880 107.4 50.4 -73.0 -38.7 72.3 72.0 19.4 49 67 A D H X S+ 0 0 110 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.704 106.5 56.1 -71.7 -22.0 75.3 70.1 18.1 50 68 A K H X S+ 0 0 140 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.844 108.4 48.7 -76.1 -35.8 77.7 72.6 19.8 51 69 A W H X S+ 0 0 35 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.904 111.0 48.9 -69.7 -43.0 75.9 71.8 23.1 52 70 A S H X S+ 0 0 70 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.867 111.2 49.6 -65.3 -38.3 76.1 68.0 22.6 53 71 A A H X S+ 0 0 61 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.802 111.4 49.6 -70.7 -30.7 79.8 68.2 21.8 54 72 A F H X S+ 0 0 18 -4,-1.3 4,-2.7 2,-0.2 5,-0.2 0.933 109.2 52.2 -71.1 -45.5 80.4 70.3 24.9 55 73 A L H X S+ 0 0 59 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.784 111.0 48.4 -61.0 -29.9 78.5 67.8 27.1 56 74 A K H X S+ 0 0 116 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.861 111.4 46.4 -81.2 -39.7 80.6 65.0 25.7 57 75 A E H < S+ 0 0 117 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.913 115.6 48.6 -68.2 -38.6 84.0 66.7 26.3 58 76 A Q H >< S+ 0 0 13 -4,-2.7 3,-0.8 1,-0.2 4,-0.4 0.817 111.7 49.0 -69.1 -32.7 82.8 67.7 29.7 59 77 A S H >X S+ 0 0 12 -4,-1.2 3,-1.2 1,-0.2 4,-0.8 0.944 111.6 47.1 -71.5 -48.9 81.6 64.2 30.5 60 78 A T T 3< S+ 0 0 66 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.046 113.9 51.4 -82.4 29.3 84.8 62.5 29.4 61 79 A L T <4 S+ 0 0 78 -3,-0.8 -1,-0.3 2,-0.0 -2,-0.2 0.333 101.1 58.8-137.0 -13.4 86.7 65.1 31.4 62 80 A A T X4 S+ 0 0 0 -3,-1.2 3,-1.8 -4,-0.4 -2,-0.2 0.607 83.8 80.5 -93.4 -17.8 84.9 64.7 34.7 63 81 A Q T 3< S+ 0 0 70 -4,-0.8 4,-0.2 1,-0.3 -1,-0.1 0.899 75.9 78.0 -53.4 -40.5 85.8 61.0 34.8 64 82 A M T 3 S+ 0 0 117 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.735 78.9 77.8 -38.4 -35.7 89.1 62.3 36.2 65 83 A Y S < S- 0 0 20 -3,-1.8 -1,-0.1 -4,-0.1 5,-0.1 -0.711 88.8-126.5 -92.0 99.7 87.5 62.8 39.6 66 84 A P - 0 0 44 0, 0.0 3,-0.2 0, 0.0 4,-0.2 -0.118 11.4-147.5 -43.2 112.5 87.1 59.5 41.6 67 85 A L S > S+ 0 0 113 1,-0.2 3,-1.0 2,-0.2 13,-0.1 0.855 98.7 49.6 -54.4 -37.6 83.5 59.3 42.6 68 86 A Q T 3 S+ 0 0 169 1,-0.3 -1,-0.2 8,-0.0 8,-0.0 0.863 100.5 62.0 -71.9 -35.7 84.5 57.5 45.8 69 87 A E T 3 S+ 0 0 115 -3,-0.2 2,-0.3 2,-0.0 -1,-0.3 0.433 91.6 99.8 -69.2 3.9 87.1 60.0 46.7 70 88 A I < + 0 0 20 -3,-1.0 -66,-0.1 -4,-0.2 3,-0.1 -0.719 40.8 167.1 -97.8 144.7 84.1 62.4 46.8 71 89 A Q + 0 0 154 -2,-0.3 2,-1.2 1,-0.1 -1,-0.1 0.758 53.3 85.1-116.9 -56.4 82.3 63.6 50.0 72 90 A N >> - 0 0 48 1,-0.2 3,-2.5 2,-0.1 4,-1.7 -0.372 64.2-156.0 -57.4 91.8 80.0 66.6 49.3 73 91 A L H 3> S+ 0 0 84 -2,-1.2 4,-2.2 1,-0.3 -1,-0.2 0.751 90.9 60.1 -42.7 -32.3 76.9 64.6 48.2 74 92 A T H 3> S+ 0 0 56 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.858 107.9 43.3 -68.3 -34.0 75.8 67.7 46.3 75 93 A V H <> S+ 0 0 9 -3,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.755 109.6 58.3 -81.5 -23.8 78.9 67.7 44.2 76 94 A K H X S+ 0 0 55 -4,-1.7 4,-3.7 2,-0.2 -2,-0.2 0.932 103.0 53.3 -69.0 -44.6 78.6 63.9 43.8 77 95 A L H X S+ 0 0 53 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.956 113.7 41.5 -51.4 -57.9 75.2 64.4 42.2 78 96 A Q H X S+ 0 0 12 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.933 117.9 46.1 -56.2 -50.8 76.5 66.8 39.6 79 97 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.889 111.8 54.7 -60.2 -39.2 79.6 64.8 39.0 80 98 A Q H < S+ 0 0 106 -4,-3.7 -2,-0.2 1,-0.2 -1,-0.2 0.967 107.0 47.9 -59.1 -56.2 77.4 61.7 38.8 81 99 A A H >< S+ 0 0 44 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.915 115.0 48.1 -51.3 -47.7 75.2 63.2 36.1 82 100 A L H 3< S+ 0 0 9 -4,-2.3 2,-0.8 1,-0.2 -2,-0.2 0.903 102.9 55.7 -63.4 -50.2 78.2 64.3 34.1 83 101 A Q T 3< S+ 0 0 30 -4,-2.5 2,-0.8 -21,-0.2 -1,-0.2 -0.052 73.8 124.3 -82.8 40.3 80.4 61.2 34.0 84 102 A Q < - 0 0 104 -2,-0.8 -24,-0.1 -3,-0.7 -25,-0.1 -0.875 39.5-173.1 -99.8 107.8 77.7 59.0 32.6 85 103 A N > + 0 0 60 -2,-0.8 3,-1.2 1,-0.2 2,-0.4 0.961 17.2 163.2 -68.2 -54.5 79.1 57.4 29.4 86 104 A G G > S- 0 0 6 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 -0.565 71.9 -0.9 75.5-126.5 76.0 55.7 28.0 87 105 A S G > S+ 0 0 44 -2,-0.4 3,-2.7 1,-0.3 -1,-0.3 0.790 121.4 73.8 -69.6 -30.3 76.3 54.7 24.4 88 106 A S G < S+ 0 0 57 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.586 81.8 74.5 -60.5 -8.3 79.8 56.2 24.0 89 107 A V G < S+ 0 0 48 -3,-1.1 -1,-0.3 2,-0.1 2,-0.2 0.457 85.8 86.4 -82.9 -1.0 80.8 53.1 26.0 90 108 A L S < S- 0 0 18 -3,-2.7 2,-0.2 1,-0.1 78,-0.0 -0.659 92.2 -99.2 -99.4 156.1 80.3 51.2 22.8 91 109 A S >> - 0 0 69 -2,-0.2 3,-3.1 1,-0.1 4,-1.8 -0.538 41.4-108.1 -73.4 137.0 82.7 50.6 20.0 92 110 A E H 3> S+ 0 0 140 1,-0.3 4,-2.3 -2,-0.2 5,-0.2 0.759 120.0 53.2 -32.9 -46.9 82.2 53.0 17.0 93 111 A D H 3> S+ 0 0 135 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.793 112.4 45.8 -65.1 -27.6 80.8 50.3 14.8 94 112 A K H <> S+ 0 0 74 -3,-3.1 4,-3.3 2,-0.2 5,-0.2 0.933 112.5 47.9 -78.2 -50.8 78.3 49.4 17.5 95 113 A S H X S+ 0 0 16 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.864 112.1 52.3 -56.8 -38.4 77.2 52.9 18.3 96 114 A K H X S+ 0 0 125 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.938 112.0 44.5 -65.0 -46.9 76.8 53.5 14.6 97 115 A R H X S+ 0 0 99 -4,-1.4 4,-3.0 2,-0.2 -2,-0.2 0.932 112.2 51.8 -65.5 -44.0 74.6 50.4 14.2 98 116 A L H X S+ 0 0 0 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.920 110.7 48.7 -59.0 -44.0 72.5 51.2 17.3 99 117 A N H X S+ 0 0 85 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.889 110.6 50.8 -63.9 -38.7 71.9 54.7 16.0 100 118 A T H X S+ 0 0 44 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.959 111.2 48.9 -62.2 -49.5 70.9 53.4 12.6 101 119 A I H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.901 111.5 48.8 -58.8 -41.9 68.5 51.0 14.3 102 120 A L H X S+ 0 0 35 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.963 114.0 45.8 -64.0 -47.1 66.9 53.7 16.5 103 121 A N H X S+ 0 0 108 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.899 114.1 49.4 -62.4 -38.8 66.5 56.0 13.4 104 122 A T H X S+ 0 0 51 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.951 111.6 46.2 -65.8 -50.2 65.0 53.2 11.4 105 123 A M H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.906 113.6 52.7 -59.4 -39.9 62.5 52.0 14.0 106 124 A S H X S+ 0 0 39 -4,-2.5 4,-1.7 -5,-0.3 -1,-0.2 0.902 111.2 43.9 -62.5 -43.0 61.6 55.6 14.5 107 125 A T H X S+ 0 0 72 -4,-2.2 4,-2.1 2,-0.2 5,-0.3 0.917 109.6 53.0 -73.8 -41.9 60.9 56.3 10.8 108 126 A I H X S+ 0 0 15 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.857 111.2 51.8 -63.1 -27.6 59.0 53.2 10.0 109 127 A Y H < S+ 0 0 21 -4,-1.6 17,-0.3 -5,-0.3 -1,-0.2 0.902 116.6 36.1 -71.7 -41.8 56.8 54.1 13.0 110 128 A S H < S+ 0 0 82 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.651 130.2 32.8 -88.3 -9.8 56.1 57.7 11.9 111 129 A T H < S+ 0 0 88 -4,-2.1 -3,-0.2 -5,-0.1 -2,-0.2 0.489 87.0 112.1-123.7 -6.0 55.9 56.8 8.2 112 130 A G < - 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0 0 166 -3,-1.5 -3,-0.2 1,-0.2 2,-0.2 0.863 44.8-177.4 61.0 36.8 41.5 72.5 55.0 517 535 A H < - 0 0 39 -5,-2.7 -1,-0.2 1,-0.1 7,-0.1 -0.475 9.4-164.3 -67.3 136.7 39.3 71.0 52.2 518 536 A E + 0 0 171 -2,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.952 53.9 38.1 -91.8 -59.6 36.2 69.4 53.6 519 537 A G S S- 0 0 46 1,-0.2 5,-0.1 4,-0.1 -2,-0.0 0.307 105.5 -21.1 -78.0-150.4 34.4 67.0 51.3 520 538 A P > - 0 0 63 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.227 63.0-119.5 -55.2 137.6 35.5 64.4 48.7 521 539 A L G > S+ 0 0 20 1,-0.3 3,-1.9 47,-0.2 48,-0.1 0.835 107.6 65.3 -51.0 -37.8 39.0 64.9 47.4 522 540 A H G 3 S+ 0 0 14 47,-0.4 -1,-0.3 1,-0.3 47,-0.1 0.648 96.6 56.8 -66.2 -9.8 37.9 65.3 43.8 523 541 A K G < S+ 0 0 53 -3,-2.1 -1,-0.3 -127,-0.1 -125,-0.2 0.429 82.8 124.5 -97.4 -0.1 36.1 68.5 44.6 524 542 A c < - 0 0 1 -3,-1.9 2,-0.4 -4,-0.3 -128,-0.2 -0.259 37.1-174.7 -68.8 145.6 39.1 70.2 46.0 525 543 A D - 0 0 25 2,-0.1 -131,-0.0 -13,-0.1 -2,-0.0 -0.992 13.2-158.9-135.7 123.4 40.5 73.6 44.9 526 544 A I > + 0 0 1 -2,-0.4 3,-1.7 -136,-0.1 7,-0.2 0.458 47.4 130.8 -87.2 4.0 43.8 74.8 46.4 527 545 A S T 3 S+ 0 0 27 1,-0.2 -227,-0.1 -134,-0.1 -2,-0.1 -0.205 70.8 18.8 -55.9 143.7 43.2 78.5 45.5 528 546 A N T 3 S+ 0 0 139 -232,-0.3 2,-1.1 1,-0.2 -1,-0.2 0.246 92.4 121.0 79.8 -13.4 43.7 81.0 48.4 529 547 A S <> + 0 0 17 -3,-1.7 4,-2.3 1,-0.2 3,-0.2 -0.697 29.7 170.1 -91.1 98.3 45.7 78.5 50.3 530 548 A T H > S+ 0 0 88 -2,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.730 83.3 62.2 -72.7 -20.3 49.2 79.9 51.0 531 549 A E H > S+ 0 0 121 2,-0.2 4,-1.7 -3,-0.2 -1,-0.2 0.882 106.6 44.2 -71.1 -33.8 49.7 77.0 53.3 532 550 A A H > S+ 0 0 0 -6,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.947 113.7 49.2 -72.0 -49.2 49.2 74.7 50.3 533 551 A G H X S+ 0 0 2 -4,-2.3 4,-2.3 -233,-0.2 -2,-0.2 0.770 109.7 53.2 -61.7 -27.5 51.5 76.8 48.1 534 552 A Q H X S+ 0 0 94 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.943 109.6 46.2 -73.7 -48.0 54.2 76.8 50.8 535 553 A K H X S+ 0 0 64 -4,-1.7 4,-0.7 2,-0.2 -2,-0.2 0.906 114.8 49.2 -59.1 -41.7 54.2 73.0 51.2 536 554 A L H >X S+ 0 0 2 -4,-2.5 4,-1.9 1,-0.2 3,-1.2 0.960 110.0 51.1 -62.4 -49.4 54.3 72.7 47.4 537 555 A F H 3X S+ 0 0 70 -4,-2.3 4,-2.2 1,-0.3 -1,-0.2 0.752 96.0 69.2 -61.3 -27.2 57.2 75.2 47.2 538 556 A N H 3< S+ 0 0 61 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.828 112.3 31.1 -63.4 -31.2 59.3 73.5 49.8 539 557 A M H XX S+ 0 0 0 -3,-1.2 3,-0.6 -4,-0.7 4,-0.6 0.770 113.8 63.1 -94.9 -29.3 59.9 70.6 47.4 540 558 A L H >< S+ 0 0 2 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.925 100.6 50.7 -59.8 -47.4 59.7 72.7 44.2 541 559 A R T 3< S+ 0 0 114 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.680 96.9 73.1 -69.0 -13.1 62.8 74.8 45.0 542 560 A L T X4 S+ 0 0 8 -3,-0.6 3,-2.8 1,-0.2 -1,-0.3 0.799 71.4 179.8 -70.0 -28.6 64.8 71.6 45.6 543 561 A G T << S- 0 0 1 -3,-1.2 3,-0.3 -4,-0.6 -1,-0.2 -0.440 71.8 -38.1 59.1-133.8 65.0 70.7 42.0 544 562 A K T 3 S+ 0 0 66 -170,-2.9 -1,-0.3 1,-0.1 -169,-0.1 -0.009 112.0 108.4-110.0 27.8 66.9 67.5 42.0 545 563 A S S < S+ 0 0 11 -3,-2.8 -1,-0.1 -171,-0.3 -2,-0.1 0.648 78.7 45.9 -78.1 -15.1 69.3 68.6 44.8 546 564 A E S S- 0 0 73 -3,-0.3 5,-0.0 -4,-0.2 2,-0.0 -0.814 103.7 -83.8-123.2 163.7 67.7 66.2 47.3 547 565 A P >> - 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