==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-JUN-11 3ZQZ . COMPND 2 MOLECULE: ANGIOTENSIN-CONVERTING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR M.AKIF,G.MASUYER,S.L.U.SCHWAGER,B.J.BHUYAN,G.MUGESH,R.E.ISAA . 596 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24313.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 433 72.7 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 . 21 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 289 48.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.2 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 1 0 3 0 0 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 19 A V > 0 0 83 0, 0.0 3,-0.7 0, 0.0 70,-0.2 0.000 360.0 360.0 360.0 -67.9 26.4 -25.0 -43.2 2 20 A K T > + 0 0 83 1,-0.2 3,-1.0 2,-0.1 4,-0.4 0.622 360.0 74.8 -80.9 -15.4 22.9 -26.8 -43.3 3 21 A E T 3> S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.634 76.7 82.6 -63.6 -15.7 23.4 -27.7 -39.6 4 22 A E H <> S+ 0 0 27 -3,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.727 78.8 62.1 -69.6 -25.4 22.6 -24.1 -38.9 5 23 A I H <> S+ 0 0 120 -3,-1.0 4,-1.3 2,-0.2 -1,-0.2 0.956 109.8 39.6 -64.3 -49.5 18.8 -24.6 -39.1 6 24 A Q H > S+ 0 0 57 -4,-0.4 4,-2.0 1,-0.2 -2,-0.2 0.866 113.5 57.2 -64.7 -36.8 18.9 -27.0 -36.1 7 25 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.846 101.2 55.4 -64.6 -37.4 21.5 -24.7 -34.4 8 26 A K H X S+ 0 0 121 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.914 108.9 47.1 -61.9 -44.6 19.2 -21.7 -34.6 9 27 A E H X S+ 0 0 121 -4,-1.3 4,-2.0 1,-0.2 5,-0.2 0.863 109.2 55.5 -64.1 -39.2 16.4 -23.7 -32.7 10 28 A Y H X S+ 0 0 51 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.906 110.6 44.9 -56.7 -44.4 19.0 -24.8 -30.2 11 29 A L H X S+ 0 0 3 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.886 108.7 55.9 -71.0 -41.7 19.9 -21.2 -29.4 12 30 A E H X S+ 0 0 112 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.925 115.0 38.6 -53.3 -50.0 16.4 -20.0 -29.3 13 31 A N H X S+ 0 0 99 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.908 116.4 49.6 -71.3 -45.2 15.5 -22.5 -26.6 14 32 A L H X S+ 0 0 14 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.895 107.8 54.4 -64.2 -42.0 18.8 -22.3 -24.6 15 33 A N H X S+ 0 0 9 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.968 110.2 46.0 -54.0 -54.3 18.7 -18.5 -24.5 16 34 A K H X S+ 0 0 133 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.831 112.4 52.5 -59.4 -34.0 15.2 -18.6 -22.9 17 35 A E H X S+ 0 0 82 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.897 107.9 49.9 -68.8 -41.4 16.4 -21.3 -20.5 18 36 A L H X S+ 0 0 4 -4,-2.7 4,-3.3 2,-0.2 5,-0.2 0.891 108.4 54.2 -64.2 -42.1 19.4 -19.2 -19.4 19 37 A A H X S+ 0 0 12 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.946 110.5 45.1 -52.9 -52.0 17.2 -16.2 -18.8 20 38 A K H X S+ 0 0 125 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.839 115.7 48.1 -66.8 -31.7 14.9 -18.2 -16.5 21 39 A R H >X S+ 0 0 77 -4,-1.9 4,-1.4 2,-0.2 3,-0.5 0.904 111.8 47.5 -74.8 -42.9 17.9 -19.8 -14.7 22 40 A T H 3X S+ 0 0 13 -4,-3.3 4,-3.2 1,-0.2 5,-0.3 0.921 102.4 65.2 -62.2 -45.5 19.7 -16.4 -14.2 23 41 A N H 3X S+ 0 0 13 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.816 102.9 48.3 -43.2 -39.1 16.5 -14.9 -12.9 24 42 A V H < S+ 0 0 7 -4,-1.4 3,-1.0 1,-0.2 -1,-0.2 0.952 111.0 50.2 -67.2 -51.6 21.5 -10.9 -0.0 33 51 A G H 3< S+ 0 0 6 -4,-2.5 284,-1.9 1,-0.3 3,-0.2 0.737 116.2 43.7 -59.8 -25.1 22.3 -7.3 -1.1 34 52 A S H 3< S+ 0 0 8 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.597 131.3 19.2 -93.5 -16.4 19.0 -6.1 0.5 35 53 A N S << S- 0 0 62 -3,-1.0 2,-0.6 -4,-0.8 -1,-0.3 -0.627 75.7-154.0-161.7 85.2 19.4 -8.1 3.7 36 54 A I + 0 0 8 279,-2.0 279,-0.4 -3,-0.2 2,-0.3 -0.575 34.2 141.6 -78.5 113.4 22.8 -9.5 4.6 37 55 A T > - 0 0 51 -2,-0.6 4,-2.1 1,-0.1 5,-0.2 -0.977 61.8-113.1-145.9 156.6 22.6 -12.6 6.7 38 56 A D H > S+ 0 0 131 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.892 119.0 51.8 -55.8 -39.9 24.5 -16.0 7.0 39 57 A E H > S+ 0 0 126 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.870 110.8 45.8 -65.9 -40.0 21.4 -17.7 5.8 40 58 A N H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.771 109.2 55.4 -77.5 -28.4 21.0 -15.5 2.7 41 59 A E H X S+ 0 0 37 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.955 107.4 50.3 -63.2 -52.2 24.7 -15.8 1.8 42 60 A K H X S+ 0 0 132 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.914 112.8 46.7 -49.3 -53.2 24.4 -19.6 1.8 43 61 A K H X S+ 0 0 103 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.965 112.9 48.7 -55.3 -57.1 21.4 -19.4 -0.5 44 62 A K H X S+ 0 0 40 -4,-2.5 4,-1.8 -16,-0.3 -2,-0.2 0.913 115.9 42.3 -49.5 -54.1 23.0 -16.9 -2.9 45 63 A N H X S+ 0 0 13 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.874 113.2 51.9 -67.3 -39.5 26.2 -18.9 -3.2 46 64 A E H X S+ 0 0 119 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.911 108.3 51.5 -64.7 -43.0 24.6 -22.3 -3.5 47 65 A I H X S+ 0 0 47 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.922 110.7 48.8 -56.8 -46.8 22.2 -21.1 -6.3 48 66 A S H X S+ 0 0 7 -4,-1.8 4,-2.7 -5,-0.2 -1,-0.2 0.872 107.0 55.3 -64.7 -40.2 25.2 -19.7 -8.3 49 67 A A H X S+ 0 0 37 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.928 108.2 49.7 -53.6 -47.7 27.1 -23.0 -7.8 50 68 A E H X S+ 0 0 124 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.913 111.8 47.5 -59.1 -45.4 24.1 -24.8 -9.4 51 69 A L H X S+ 0 0 18 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.859 107.6 55.9 -66.0 -37.6 24.1 -22.3 -12.3 52 70 A A H X S+ 0 0 4 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.931 104.7 54.0 -58.1 -45.7 27.8 -22.7 -12.8 53 71 A K H X S+ 0 0 113 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.900 109.5 47.0 -54.0 -46.5 27.3 -26.5 -13.1 54 72 A F H X S+ 0 0 23 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.905 108.6 55.7 -62.2 -43.0 24.7 -25.9 -15.9 55 73 A M H X S+ 0 0 34 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.898 103.5 54.5 -56.7 -44.7 27.1 -23.4 -17.6 56 74 A K H X S+ 0 0 64 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.900 108.6 48.8 -56.3 -43.5 29.8 -26.1 -17.8 57 75 A E H X S+ 0 0 108 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.875 111.0 51.7 -61.6 -38.4 27.4 -28.4 -19.5 58 76 A V H X S+ 0 0 3 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.942 109.0 47.3 -66.9 -50.1 26.5 -25.6 -22.0 59 77 A A H X S+ 0 0 15 -4,-2.7 4,-0.5 1,-0.2 3,-0.2 0.887 114.2 49.8 -57.4 -41.1 30.1 -24.8 -22.9 60 78 A S H >< S+ 0 0 71 -4,-1.9 3,-1.4 -5,-0.3 -2,-0.2 0.941 107.5 53.4 -60.7 -48.0 30.7 -28.5 -23.4 61 79 A D H >< S+ 0 0 74 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.728 95.2 68.6 -64.6 -24.6 27.6 -29.0 -25.6 62 80 A T H >< S+ 0 0 3 -4,-1.4 3,-1.9 1,-0.3 5,-0.4 0.779 85.9 68.8 -66.5 -25.8 28.6 -26.2 -28.0 63 81 A T T << S+ 0 0 106 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.599 85.9 69.7 -70.1 -10.7 31.5 -28.3 -29.3 64 82 A K T < S+ 0 0 160 -3,-1.4 2,-0.5 -4,-0.2 -1,-0.3 0.627 92.4 74.4 -75.7 -14.9 28.8 -30.6 -30.8 65 83 A F S < S- 0 0 38 -3,-1.9 2,-2.5 -4,-0.2 3,-0.3 -0.870 79.6-138.8-107.1 131.2 28.2 -27.7 -33.2 66 84 A Q > + 0 0 110 -2,-0.5 3,-1.8 1,-0.2 4,-0.2 -0.314 48.4 154.9 -73.5 55.4 30.5 -26.8 -36.1 67 85 A W G > + 0 0 18 -2,-2.5 3,-1.5 -5,-0.4 -1,-0.2 0.804 60.3 56.9 -69.8 -31.9 29.8 -23.2 -35.1 68 86 A R G 3 S+ 0 0 183 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.588 103.3 60.1 -68.4 -10.4 32.9 -21.5 -36.5 69 87 A S G < S+ 0 0 77 -3,-1.8 -1,-0.3 7,-0.0 -2,-0.2 0.456 83.4 118.5 -93.1 -3.0 31.9 -23.0 -39.9 70 88 A Y < - 0 0 7 -3,-1.5 -68,-0.1 -4,-0.2 -3,-0.0 -0.258 59.5-145.8 -76.4 151.0 28.6 -21.1 -39.9 71 89 A Q S S+ 0 0 159 -70,-0.2 2,-0.6 1,-0.0 -1,-0.1 0.870 78.6 85.0 -73.8 -41.2 27.4 -18.5 -42.5 72 90 A S > - 0 0 36 1,-0.2 4,-2.2 2,-0.0 5,-0.2 -0.528 61.2-160.7 -75.4 114.3 25.4 -16.4 -40.1 73 91 A E H > S+ 0 0 143 -2,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.829 94.1 57.5 -53.4 -32.7 27.6 -13.9 -38.2 74 92 A D H > S+ 0 0 78 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 106.5 43.9 -72.6 -44.4 24.7 -13.8 -35.7 75 93 A L H > S+ 0 0 12 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.931 113.9 51.4 -65.1 -46.9 24.7 -17.5 -34.8 76 94 A K H X S+ 0 0 56 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.870 110.6 50.0 -55.3 -39.6 28.6 -17.6 -34.6 77 95 A R H X S+ 0 0 52 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.879 110.6 48.5 -71.0 -38.0 28.4 -14.6 -32.3 78 96 A Q H X S+ 0 0 13 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.931 111.9 48.4 -66.8 -46.4 25.8 -16.2 -30.0 79 97 A F H >X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 3,-0.6 0.923 107.5 56.8 -59.9 -43.6 27.7 -19.5 -29.8 80 98 A K H 3X S+ 0 0 98 -4,-2.1 4,-0.9 1,-0.2 3,-0.4 0.910 104.3 52.1 -53.3 -45.5 30.9 -17.6 -29.0 81 99 A A H 3< S+ 0 0 39 -4,-1.6 -1,-0.2 1,-0.2 3,-0.2 0.823 106.5 55.2 -62.6 -30.1 29.3 -15.9 -26.0 82 100 A L H << S+ 0 0 5 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.803 100.3 57.0 -75.1 -33.0 28.2 -19.3 -24.7 83 101 A T H < S+ 0 0 43 -4,-1.5 2,-1.2 -3,-0.4 -1,-0.2 0.760 83.5 96.7 -66.3 -25.3 31.7 -20.8 -24.7 84 102 A K < + 0 0 76 -4,-0.9 -1,-0.1 -3,-0.2 93,-0.0 -0.534 50.1 169.4 -72.7 97.3 32.7 -17.9 -22.4 85 103 A L > - 0 0 34 -2,-1.2 3,-1.2 1,-0.2 -1,-0.2 0.803 10.4-175.0 -85.1 -34.9 32.5 -19.6 -19.0 86 104 A G G > S- 0 0 40 1,-0.2 3,-1.8 2,-0.2 4,-0.2 -0.427 71.1 -13.0 70.3-144.5 34.1 -17.2 -16.6 87 105 A Y G > S+ 0 0 55 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.716 126.1 78.6 -60.2 -21.3 34.5 -18.3 -13.0 88 106 A A G < S+ 0 0 9 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.733 77.8 71.4 -61.5 -22.0 32.1 -21.1 -13.9 89 107 A A G < S+ 0 0 17 -3,-1.8 -1,-0.3 84,-0.1 -2,-0.2 0.692 78.5 102.0 -69.2 -19.3 35.1 -22.9 -15.6 90 108 A L S < S- 0 0 0 -3,-1.8 83,-0.0 -4,-0.2 79,-0.0 -0.298 87.3 -94.0 -63.1 147.0 36.5 -23.6 -12.1 91 109 A P > - 0 0 65 0, 0.0 4,-2.6 0, 0.0 3,-0.3 -0.258 44.5-100.4 -56.6 151.8 36.2 -27.1 -10.6 92 110 A E H > S+ 0 0 127 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.862 121.7 42.4 -45.2 -55.5 33.2 -27.5 -8.2 93 111 A D H > S+ 0 0 128 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.877 114.5 51.9 -62.3 -40.4 35.1 -27.1 -5.0 94 112 A D H > S+ 0 0 25 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.911 108.1 50.0 -63.2 -47.2 37.2 -24.2 -6.3 95 113 A Y H X S+ 0 0 24 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.889 108.6 54.3 -59.8 -39.4 34.2 -22.2 -7.5 96 114 A A H X S+ 0 0 42 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.899 109.1 47.4 -60.6 -43.1 32.6 -22.7 -4.0 97 115 A E H X S+ 0 0 74 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.905 110.1 53.1 -65.8 -42.5 35.6 -21.3 -2.3 98 116 A L H >X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 3,-0.5 0.959 109.3 48.5 -55.2 -52.5 35.7 -18.3 -4.7 99 117 A L H 3X S+ 0 0 13 -4,-2.4 4,-1.8 1,-0.3 -1,-0.2 0.883 110.1 51.5 -57.1 -42.2 32.1 -17.5 -4.0 100 118 A D H 3X S+ 0 0 89 -4,-2.0 4,-1.2 2,-0.2 -1,-0.3 0.802 111.7 48.5 -64.7 -31.5 32.7 -17.7 -0.2 101 119 A T H < S+ 0 0 44 -4,-1.7 3,-0.5 -5,-0.3 4,-0.3 0.932 110.5 49.5 -49.8 -49.6 32.9 -7.1 5.4 109 127 A F H >< S+ 0 0 20 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.919 111.8 46.2 -54.9 -50.7 32.8 -3.8 3.4 110 128 A A H 3< S+ 0 0 26 -4,-1.7 206,-0.4 -5,-0.3 -1,-0.2 0.682 110.4 56.2 -69.9 -16.7 29.1 -3.3 3.9 111 129 A K T << S+ 0 0 94 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.342 75.7 131.7 -98.3 3.9 29.4 -4.1 7.6 112 130 A V < + 0 0 10 -3,-1.3 15,-0.4 -4,-0.3 2,-0.3 -0.349 27.9 173.5 -66.4 132.9 32.1 -1.4 8.5 113 131 A K - 0 0 80 13,-0.1 2,-0.3 37,-0.1 13,-0.2 -0.989 7.7-170.1-142.9 131.1 31.4 0.8 11.5 114 132 A V B -A 125 0A 0 11,-2.5 11,-1.8 -2,-0.3 2,-0.2 -0.766 25.2-106.3-118.3 164.2 33.6 3.3 13.2 115 133 A a - 0 0 36 -2,-0.3 8,-0.3 9,-0.1 5,-0.2 -0.554 44.6 -91.4 -87.0 154.8 33.5 5.3 16.4 116 134 A D - 0 0 36 6,-2.4 -1,-0.1 3,-1.0 6,-0.0 -0.411 23.6-137.3 -65.3 136.8 32.6 9.0 16.6 117 135 A Y S S+ 0 0 86 1,-0.2 3,-0.2 -2,-0.1 -1,-0.1 0.879 109.0 35.4 -58.4 -40.3 35.6 11.4 16.4 118 136 A K S S+ 0 0 166 1,-0.2 2,-0.4 4,-0.1 -1,-0.2 0.685 128.0 37.3 -87.8 -22.2 34.1 13.5 19.2 119 137 A D - 0 0 72 3,-0.2 -3,-1.0 1,-0.1 -1,-0.2 -0.908 53.6-170.5-139.5 110.1 32.6 10.6 21.1 120 138 A S S S+ 0 0 104 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.475 89.7 64.7 -77.5 -1.5 34.2 7.1 21.5 121 139 A T S S+ 0 0 119 1,-0.1 2,-1.1 -6,-0.0 -1,-0.2 0.912 87.7 69.1 -77.3 -52.7 30.9 5.9 22.9 122 140 A K + 0 0 96 1,-0.1 -6,-2.4 -3,-0.1 -3,-0.2 -0.561 58.6 155.8 -73.5 97.5 28.9 6.4 19.7 123 141 A a + 0 0 52 -2,-1.1 -1,-0.1 -8,-0.3 -8,-0.1 0.042 40.3 94.9-116.8 26.1 30.4 3.6 17.5 124 142 A D + 0 0 87 -11,-0.1 2,-0.5 2,-0.1 -1,-0.1 -0.031 48.5 135.6-108.0 30.6 27.6 2.9 14.9 125 143 A L B -A 114 0A 8 -11,-1.8 -11,-2.5 -3,-0.2 2,-0.3 -0.688 34.0-167.6 -86.6 122.5 28.8 5.2 12.2 126 144 A A > - 0 0 14 -2,-0.5 5,-2.8 -13,-0.2 6,-0.3 -0.716 35.3-111.1-107.9 159.2 28.7 3.7 8.7 127 145 A L T >S+ 0 0 23 -15,-0.4 5,-2.5 -2,-0.3 6,-0.2 0.932 100.6 75.6 -49.9 -50.0 30.3 4.9 5.4 128 146 A D T 5S- 0 0 30 1,-0.2 -1,-0.2 3,-0.2 190,-0.0 -0.933 122.0 -21.6-113.0 111.5 26.8 5.6 4.1 129 147 A P T >5S+ 0 0 32 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 -1.000 133.1 53.3-112.9 -3.9 25.8 8.0 5.3 130 148 A E H >5S+ 0 0 64 1,-0.2 4,-1.0 2,-0.2 -3,-0.2 0.900 116.4 34.5 -57.2 -50.6 27.6 8.9 8.6 131 149 A I H >X S+ 0 0 27 -4,-1.0 4,-2.7 -3,-0.5 3,-1.2 0.952 111.3 53.5 -70.1 -49.1 32.1 14.1 7.3 135 153 A I H 3< S+ 0 0 4 -4,-2.3 107,-0.2 1,-0.2 -1,-0.2 0.804 114.6 43.7 -54.3 -29.0 34.5 13.5 4.4 136 154 A S H 3< S+ 0 0 18 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.595 128.2 21.6 -94.3 -12.0 32.4 15.8 2.2 137 155 A K H << S+ 0 0 128 -3,-1.2 -2,-0.2 -4,-0.7 -3,-0.2 0.628 92.9 95.5-134.6 -27.2 31.7 18.7 4.7 138 156 A S < - 0 0 21 -4,-2.7 104,-0.1 -5,-0.2 -4,-0.0 -0.479 40.0-174.2 -71.5 144.0 34.3 18.9 7.5 139 157 A R + 0 0 65 -2,-0.1 2,-1.1 -3,-0.0 -1,-0.1 0.162 52.9 112.6-120.3 10.8 37.2 21.2 7.1 140 158 A D > - 0 0 73 1,-0.2 4,-2.9 2,-0.0 5,-0.2 -0.781 56.4-160.4 -78.6 99.8 38.9 20.0 10.3 141 159 A H H > S+ 0 0 65 -2,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.793 86.5 50.8 -58.9 -30.1 41.9 18.3 8.5 142 160 A E H > S+ 0 0 124 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.922 109.8 47.4 -77.8 -45.9 42.7 16.2 11.6 143 161 A E H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.930 111.0 55.0 -50.3 -49.2 39.2 14.9 12.0 144 162 A L H X S+ 0 0 3 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.924 109.5 46.0 -52.2 -46.9 39.3 14.2 8.2 145 163 A A H X S+ 0 0 18 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.871 108.1 56.9 -65.4 -40.1 42.4 12.1 8.7 146 164 A Y H X S+ 0 0 58 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.925 110.4 43.2 -56.2 -50.1 41.0 10.3 11.7 147 165 A Y H X S+ 0 0 4 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.910 111.0 55.9 -65.5 -38.8 38.0 9.1 9.7 148 166 A W H X S+ 0 0 1 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.900 111.3 44.9 -56.5 -42.2 40.3 8.2 6.7 149 167 A R H X S+ 0 0 102 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.954 111.9 48.6 -71.3 -52.4 42.4 6.0 8.9 150 168 A E H X S+ 0 0 49 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.896 113.8 48.5 -55.5 -43.5 39.6 4.1 10.8 151 169 A F H X S+ 0 0 1 -4,-2.3 4,-3.1 -5,-0.2 5,-0.3 0.932 112.8 44.8 -65.7 -47.3 37.8 3.4 7.5 152 170 A Y H X>S+ 0 0 5 -4,-1.9 5,-1.8 1,-0.2 4,-1.6 0.866 110.0 55.1 -69.8 -36.6 40.8 2.0 5.6 153 171 A D H <>S+ 0 0 58 -4,-2.5 5,-0.6 3,-0.2 -1,-0.2 0.895 119.2 34.6 -58.6 -37.3 42.0 -0.1 8.5 154 172 A K H <5S+ 0 0 82 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.833 125.8 35.2 -91.3 -38.2 38.5 -1.7 8.6 155 173 A A H <5S+ 0 0 0 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.575 132.8 23.7 -92.8 -13.0 37.4 -1.9 4.9 156 174 A G T ><5S+ 0 0 0 -4,-1.6 3,-0.8 -5,-0.3 -3,-0.2 0.773 120.5 42.6-117.4 -60.7 40.9 -2.5 3.5 157 175 A T G > S+ 0 0 2 -3,-0.8 4,-2.6 313,-0.2 -1,-0.2 0.076 74.1 114.5-104.6 26.1 40.4 -8.4 4.0 160 178 A R H <> S+ 0 0 50 -3,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.959 80.6 42.0 -57.5 -56.6 44.1 -8.9 2.9 161 179 A S H > S+ 0 0 80 -3,-0.2 4,-2.1 1,-0.2 5,-0.2 0.910 115.2 50.7 -62.2 -45.0 44.2 -12.7 3.2 162 180 A Q H > S+ 0 0 68 -4,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.921 110.1 50.6 -54.0 -46.6 40.8 -13.0 1.5 163 181 A F H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.886 106.3 55.9 -62.4 -39.3 41.9 -10.8 -1.3 164 182 A E H X S+ 0 0 48 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.932 110.0 43.9 -57.3 -50.9 45.1 -12.9 -1.8 165 183 A R H X S+ 0 0 70 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.878 109.6 58.8 -61.5 -38.5 43.1 -16.1 -2.3 166 184 A Y H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.886 105.3 48.1 -58.9 -41.0 40.7 -14.1 -4.6 167 185 A V H X S+ 0 0 11 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.907 110.4 52.9 -67.7 -40.5 43.5 -13.1 -6.9 168 186 A E H X S+ 0 0 90 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.892 114.1 41.4 -55.8 -46.4 44.7 -16.8 -7.0 169 187 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.835 112.1 53.4 -78.1 -34.5 41.3 -18.1 -8.0 170 188 A N H X S+ 0 0 5 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.897 112.3 47.2 -61.9 -39.4 40.6 -15.3 -10.5 171 189 A T H X S+ 0 0 28 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.918 112.1 48.5 -69.7 -44.1 43.9 -16.2 -12.1 172 190 A K H X S+ 0 0 95 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.938 112.9 48.2 -60.8 -47.8 43.1 -19.9 -12.1 173 191 A A H X S+ 0 0 2 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.891 110.2 52.5 -58.0 -43.4 39.7 -19.3 -13.6 174 192 A A H ><>S+ 0 0 4 -4,-2.2 5,-2.3 1,-0.2 3,-0.7 0.897 109.4 48.5 -61.8 -41.7 41.1 -17.0 -16.2 175 193 A K H ><5S+ 0 0 110 -4,-2.1 3,-2.1 1,-0.2 -1,-0.2 0.832 101.9 62.2 -70.6 -34.0 43.6 -19.6 -17.3 176 194 A L H 3<5S+ 0 0 85 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.692 105.9 48.0 -64.1 -19.6 41.0 -22.3 -17.5 177 195 A N T <<5S- 0 0 41 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.277 123.4-112.7 -97.4 6.7 39.4 -20.1 -20.2 178 196 A N T < 5S+ 0 0 152 -3,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.751 74.0 134.1 60.2 29.3 42.9 -19.9 -21.8 179 197 A F < - 0 0 55 -5,-2.3 -1,-0.3 -6,-0.1 -2,-0.1 -0.710 65.1-122.9 -87.2 156.4 43.3 -16.2 -21.1 180 198 A T S S- 0 0 94 -2,-0.3 2,-0.3 1,-0.2 -5,-0.1 0.911 80.5 -32.7 -67.6 -44.5 46.7 -15.2 -19.6 181 199 A S S > S- 0 0 1 -7,-0.2 4,-1.4 -6,-0.0 3,-0.4 -0.904 76.0 -73.8-157.8-173.6 45.1 -13.6 -16.5 182 200 A G H > S+ 0 0 1 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.745 122.9 64.6 -65.1 -27.7 42.0 -11.8 -15.2 183 201 A A H > S+ 0 0 0 252,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.936 105.7 42.4 -54.7 -49.8 43.2 -8.6 -17.0 184 202 A E H > S+ 0 0 44 -3,-0.4 4,-0.7 2,-0.2 -2,-0.2 0.786 112.9 55.4 -74.2 -26.5 42.8 -10.3 -20.4 185 203 A A H >X S+ 0 0 27 -4,-1.4 3,-1.1 2,-0.2 4,-0.6 0.976 111.8 41.8 -65.0 -58.3 39.5 -11.8 -19.3 186 204 A W H >< S+ 0 0 30 -4,-3.0 3,-1.7 1,-0.2 -2,-0.2 0.930 112.4 55.0 -51.9 -49.9 38.1 -8.4 -18.4 187 205 A L H >< S+ 0 0 20 -4,-2.7 3,-1.4 1,-0.3 5,-0.5 0.669 92.0 73.0 -62.7 -17.8 39.6 -6.8 -21.5 188 206 A D H X< S+ 0 0 41 -3,-1.1 3,-1.8 -4,-0.7 -1,-0.3 0.825 81.1 73.1 -65.7 -29.0 37.8 -9.4 -23.7 189 207 A E T << S+ 0 0 106 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 0.589 93.2 55.1 -59.9 -12.0 34.5 -7.5 -22.9 190 208 A Y T < S- 0 0 0 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.2 0.469 93.9-141.8-106.6 -4.1 35.7 -4.7 -25.3 191 209 A E < + 0 0 78 -3,-1.8 2,-0.3 -4,-0.2 -3,-0.1 0.809 64.9 107.5 51.1 40.8 36.4 -6.9 -28.4 192 210 A D > - 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