==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-JUL-13 4BXK . COMPND 2 MOLECULE: ANGIOTENSIN-CONVERTING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.G.DOUGLAS,R.K.SHARMA,G.MASUYER,L.LUBBE,I.ZAMORA,K.R.ACHARY . 1216 6 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46311.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 858 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 40 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 146 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 592 48.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.3 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 5 3 2 2 1 1 1 3 2 3 2 1 0 1 6 1 0 0 0 0 0 0 0 2 6 RESIDUES PER ALPHA HELIX . 2 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 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 1 A L 0 0 42 0, 0.0 5,-0.1 0, 0.0 59,-0.0 0.000 360.0 360.0 360.0 127.2 -32.0 -18.9 -26.3 2 2 A D > - 0 0 102 1,-0.1 3,-1.5 3,-0.1 4,-0.4 -0.317 360.0-120.3 -59.6 137.7 -32.6 -21.8 -28.6 3 3 A P G > S+ 0 0 100 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.841 111.3 56.2 -52.2 -42.9 -35.1 -24.3 -26.9 4 4 A G G 3 S+ 0 0 59 1,-0.2 -2,-0.1 23,-0.0 23,-0.0 0.806 105.8 53.0 -56.7 -30.7 -32.6 -27.2 -27.0 5 5 A L G < S+ 0 0 23 -3,-1.5 -1,-0.2 2,-0.1 -3,-0.1 0.469 92.2 93.6 -87.7 -3.6 -30.1 -25.1 -25.1 6 6 A Q S < S- 0 0 96 -3,-1.4 2,-0.2 -4,-0.4 58,-0.1 -0.577 81.4-105.6 -89.0 154.0 -32.5 -24.3 -22.2 7 7 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.575 28.3-158.5 -82.2 142.3 -32.8 -26.3 -19.0 8 8 A G - 0 0 43 -2,-0.2 2,-0.3 1,-0.2 12,-0.0 0.241 40.4 -54.8 -89.3-143.2 -35.6 -28.7 -18.3 9 9 A Q + 0 0 127 -2,-0.0 2,-0.3 11,-0.0 -1,-0.2 -0.744 48.3 169.3-111.4 152.7 -36.7 -30.0 -14.8 10 10 A F - 0 0 34 -2,-0.3 2,-0.1 9,-0.0 6,-0.1 -0.974 39.1 -92.1-153.8 154.9 -34.9 -31.7 -12.0 11 11 A S - 0 0 56 -2,-0.3 2,-1.8 1,-0.1 9,-0.2 -0.444 34.8-118.4 -77.6 149.3 -35.6 -32.6 -8.4 12 12 A A S S+ 0 0 62 4,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.408 84.5 77.9 -86.3 59.8 -34.6 -30.1 -5.6 13 13 A D S >> S- 0 0 76 -2,-1.8 4,-2.9 1,-0.1 3,-0.9 -0.956 97.8 -85.8-155.3 170.8 -32.2 -32.5 -3.9 14 14 A E H 3> S+ 0 0 45 -2,-0.3 4,-1.7 1,-0.3 5,-0.1 0.842 125.6 52.5 -50.1 -44.5 -28.6 -33.9 -4.2 15 15 A A H 3> S+ 0 0 69 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.839 113.1 45.3 -62.7 -34.4 -29.8 -36.7 -6.6 16 16 A G H <> S+ 0 0 0 -3,-0.9 4,-3.2 2,-0.2 5,-0.2 0.891 106.9 59.0 -72.0 -42.5 -31.5 -34.1 -8.8 17 17 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.850 102.1 55.4 -52.3 -37.6 -28.4 -31.9 -8.6 18 18 A Q H X S+ 0 0 77 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.911 111.4 42.3 -64.3 -43.2 -26.5 -34.7 -10.1 19 19 A L H X S+ 0 0 101 -4,-1.1 4,-2.5 2,-0.2 5,-0.3 0.905 112.3 53.3 -71.7 -43.8 -28.8 -34.9 -13.1 20 20 A F H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.932 110.3 49.9 -49.6 -46.7 -29.0 -31.1 -13.5 21 21 A A H X S+ 0 0 7 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.888 109.6 49.6 -65.2 -41.6 -25.2 -31.1 -13.5 22 22 A Q H X S+ 0 0 139 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.915 113.8 44.5 -63.8 -45.6 -25.0 -33.8 -16.2 23 23 A S H X S+ 0 0 47 -4,-2.5 4,-1.8 1,-0.2 5,-0.2 0.858 107.4 59.1 -69.2 -38.1 -27.5 -32.1 -18.6 24 24 A Y H X S+ 0 0 42 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.918 106.0 49.6 -53.0 -46.0 -25.9 -28.7 -18.1 25 25 A Q H X S+ 0 0 30 -4,-1.5 4,-0.8 1,-0.2 -1,-0.2 0.828 105.5 56.5 -66.6 -35.2 -22.6 -30.0 -19.4 26 26 A S H < S+ 0 0 83 -4,-1.2 3,-0.4 1,-0.2 4,-0.4 0.932 113.3 39.4 -62.0 -47.2 -24.2 -31.6 -22.5 27 27 A S H >X S+ 0 0 15 -4,-1.8 4,-0.9 1,-0.2 3,-0.9 0.852 104.6 68.5 -69.8 -37.7 -25.7 -28.3 -23.6 28 28 A A H 3X S+ 0 0 2 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.745 84.8 70.4 -59.5 -27.8 -22.6 -26.1 -22.7 29 29 A E H 3X S+ 0 0 37 -4,-0.8 4,-2.4 -3,-0.4 -1,-0.2 0.881 99.3 45.9 -60.4 -42.2 -20.3 -27.6 -25.4 30 30 A Q H <> S+ 0 0 134 -3,-0.9 4,-2.5 -4,-0.4 -1,-0.2 0.857 113.2 49.5 -68.1 -38.3 -22.1 -26.0 -28.3 31 31 A V H X S+ 0 0 7 -4,-0.9 4,-1.8 2,-0.2 -2,-0.2 0.901 113.2 46.6 -71.5 -43.1 -22.3 -22.6 -26.6 32 32 A L H X S+ 0 0 60 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.919 112.1 53.5 -58.8 -43.0 -18.6 -22.7 -25.7 33 33 A F H X S+ 0 0 78 -4,-2.4 4,-2.6 303,-0.3 -2,-0.2 0.947 109.9 43.4 -59.4 -54.3 -17.9 -23.8 -29.3 34 34 A Q H X S+ 0 0 55 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.868 115.3 51.7 -62.9 -38.1 -19.7 -20.9 -31.1 35 35 A S H X S+ 0 0 28 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.961 112.9 42.5 -56.4 -56.0 -18.2 -18.4 -28.6 36 36 A V H X S+ 0 0 24 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.888 114.6 52.2 -64.5 -37.7 -14.6 -19.6 -29.1 37 37 A A H X S+ 0 0 32 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.903 109.4 48.2 -64.2 -44.3 -15.2 -19.8 -32.9 38 38 A A H X S+ 0 0 18 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.869 111.7 50.9 -65.3 -36.6 -16.5 -16.3 -33.0 39 39 A S H X S+ 0 0 28 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.904 109.3 51.1 -64.7 -41.0 -13.4 -15.1 -31.0 40 40 A W H X S+ 0 0 27 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.924 106.6 53.2 -61.7 -46.3 -11.1 -16.9 -33.4 41 41 A A H < S+ 0 0 41 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.888 115.4 41.3 -58.9 -40.9 -12.6 -15.3 -36.4 42 42 A H H >< S+ 0 0 5 -4,-1.5 3,-1.7 8,-0.2 -2,-0.2 0.951 113.1 49.9 -72.9 -49.7 -12.1 -11.9 -34.9 43 43 A D H 3< S+ 0 0 28 -4,-3.0 284,-3.0 1,-0.3 3,-0.2 0.750 115.7 43.8 -68.2 -22.4 -8.6 -12.4 -33.3 44 44 A T T 3< S+ 0 0 13 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.326 131.0 23.0 -96.6 5.9 -7.1 -13.7 -36.6 45 45 A N S < S- 0 0 61 -3,-1.7 2,-0.8 -5,-0.1 -1,-0.2 -0.485 80.1-153.9-172.1 80.0 -8.9 -11.1 -38.8 46 46 A I + 0 0 19 279,-3.3 279,-0.3 -3,-0.2 2,-0.3 -0.578 35.8 140.0 -77.9 109.0 -9.7 -7.9 -36.8 47 47 A T > - 0 0 56 -2,-0.8 4,-2.2 1,-0.1 5,-0.2 -0.956 61.4-113.8-140.8 159.5 -12.7 -6.2 -38.5 48 48 A A H > S+ 0 0 87 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.863 116.6 53.3 -61.7 -37.2 -15.8 -4.4 -37.2 49 49 A E H > S+ 0 0 92 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.887 110.3 46.4 -69.2 -38.7 -18.1 -7.1 -38.6 50 50 A N H > S+ 0 0 17 2,-0.2 4,-1.8 1,-0.2 -8,-0.2 0.875 110.3 54.1 -68.5 -36.2 -16.1 -9.9 -36.8 51 51 A A H X S+ 0 0 13 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.897 107.8 50.8 -60.9 -38.4 -16.2 -7.8 -33.6 52 52 A R H X S+ 0 0 162 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.896 108.7 50.3 -68.3 -42.3 -20.0 -7.6 -33.9 53 53 A R H X S+ 0 0 132 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.839 110.3 51.1 -62.2 -35.8 -20.4 -11.3 -34.3 54 54 A Q H X S+ 0 0 37 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.881 109.1 49.9 -70.6 -38.5 -18.2 -11.9 -31.3 55 55 A E H X S+ 0 0 56 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.901 111.5 49.2 -65.5 -40.1 -20.3 -9.5 -29.2 56 56 A E H X S+ 0 0 73 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.881 110.4 51.3 -63.6 -38.4 -23.4 -11.4 -30.4 57 57 A A H X S+ 0 0 4 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.874 109.3 49.9 -67.8 -37.0 -21.8 -14.7 -29.4 58 58 A A H X S+ 0 0 16 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.882 107.2 54.5 -68.1 -41.2 -20.9 -13.4 -26.0 59 59 A L H X S+ 0 0 45 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.890 107.4 51.1 -55.2 -43.9 -24.5 -12.2 -25.5 60 60 A L H X S+ 0 0 52 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.926 108.1 51.2 -63.7 -42.7 -25.7 -15.7 -26.3 61 61 A S H X S+ 0 0 31 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.850 109.4 51.2 -62.5 -34.2 -23.3 -17.3 -23.7 62 62 A Q H X S+ 0 0 11 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.898 107.7 52.4 -69.4 -41.0 -24.6 -14.8 -21.1 63 63 A E H X S+ 0 0 77 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.929 112.4 46.5 -53.9 -49.5 -28.2 -15.9 -22.0 64 64 A F H X S+ 0 0 9 -4,-2.3 4,-2.2 2,-0.2 5,-0.4 0.942 111.9 48.6 -58.6 -53.0 -27.1 -19.5 -21.4 65 65 A A H X S+ 0 0 33 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.830 111.9 52.3 -61.4 -32.6 -25.3 -18.8 -18.2 66 66 A E H X S+ 0 0 58 -4,-2.3 4,-2.7 3,-0.2 5,-0.3 0.958 109.0 47.4 -65.0 -54.3 -28.4 -16.9 -17.0 67 67 A A H X S+ 0 0 29 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.950 121.7 34.7 -55.7 -52.5 -30.9 -19.7 -17.7 68 68 A W H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.883 116.7 55.8 -72.6 -37.3 -28.9 -22.5 -16.1 69 69 A G H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.4 5,-0.2 0.954 110.3 43.5 -58.3 -53.7 -27.5 -20.2 -13.4 70 70 A Q H X S+ 0 0 100 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.793 111.5 56.5 -63.6 -29.9 -30.9 -19.1 -12.2 71 71 A K H X S+ 0 0 32 -4,-1.3 4,-2.2 -5,-0.3 5,-0.3 0.951 105.9 49.2 -67.5 -48.2 -32.1 -22.7 -12.4 72 72 A A H X S+ 0 0 1 -4,-2.6 4,-3.3 1,-0.2 5,-0.4 0.888 114.3 45.8 -56.3 -41.4 -29.3 -24.0 -10.1 73 73 A K H X S+ 0 0 70 -4,-1.9 4,-0.9 3,-0.2 -1,-0.2 0.828 108.9 56.3 -73.7 -32.1 -30.2 -21.2 -7.6 74 74 A E H < S+ 0 0 122 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.917 123.0 25.2 -59.5 -44.3 -33.9 -22.0 -7.9 75 75 A L H < S+ 0 0 15 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.873 136.7 18.6 -90.1 -39.7 -33.3 -25.6 -7.0 76 76 A Y H >X S+ 0 0 0 -4,-3.3 4,-2.5 -5,-0.3 3,-1.5 0.409 80.2 107.5-123.7 -0.2 -30.1 -25.7 -4.8 77 77 A E T 3< S+ 0 0 60 -4,-0.9 4,-0.4 -5,-0.4 3,-0.3 0.924 90.1 38.7 -57.6 -52.1 -29.1 -22.3 -3.4 78 78 A P T 34 S+ 0 0 109 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.542 130.0 31.8 -75.0 -0.2 -30.0 -23.0 0.3 79 79 A I T X4 S+ 0 0 61 -3,-1.5 3,-0.8 2,-0.1 -2,-0.2 0.511 88.4 86.9-133.4 -10.2 -28.8 -26.6 0.1 80 80 A W G >< S+ 0 0 38 -4,-2.5 3,-1.2 -3,-0.3 -3,-0.1 0.759 83.4 63.3 -74.2 -23.9 -25.8 -27.1 -2.3 81 81 A Q G 3 S+ 0 0 123 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.683 104.0 47.8 -75.0 -19.5 -23.1 -26.2 0.3 82 82 A Q G < S+ 0 0 172 -3,-0.8 -1,-0.3 7,-0.0 -2,-0.2 0.098 82.5 132.0-104.4 19.8 -24.0 -29.2 2.5 83 83 A F < - 0 0 11 -3,-1.2 6,-0.1 1,-0.1 -3,-0.0 -0.478 57.5-137.1 -69.6 142.3 -24.1 -31.7 -0.5 84 84 A T S S+ 0 0 116 -2,-0.1 -1,-0.1 1,-0.1 -4,-0.0 0.831 85.8 75.1 -73.2 -34.7 -22.1 -34.9 0.2 85 85 A D >> - 0 0 56 1,-0.2 4,-1.9 2,-0.1 3,-0.6 -0.713 64.0-164.7 -84.0 109.1 -20.3 -35.1 -3.2 86 86 A P H 3> S+ 0 0 76 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.815 88.1 58.3 -64.5 -30.5 -17.5 -32.4 -3.2 87 87 A Q H 3> S+ 0 0 87 2,-0.2 4,-0.9 1,-0.2 5,-0.1 0.802 107.1 49.2 -66.2 -30.5 -17.1 -32.7 -7.0 88 88 A L H X>>S+ 0 0 5 -3,-0.6 4,-2.6 2,-0.2 3,-1.0 0.938 103.8 57.9 -70.5 -49.3 -20.7 -31.7 -7.4 89 89 A R H 3X5S+ 0 0 80 -4,-1.9 4,-1.2 1,-0.3 -2,-0.2 0.772 103.5 56.8 -53.3 -27.5 -20.4 -28.8 -5.0 90 90 A R H 3X5S+ 0 0 96 -4,-1.0 4,-1.3 2,-0.2 -1,-0.3 0.844 112.8 36.7 -72.7 -38.3 -17.7 -27.5 -7.4 91 91 A I H < S+ 0 0 42 -4,-1.3 3,-3.4 2,-0.2 -2,-0.2 0.971 112.1 52.8 -65.2 -58.4 -19.8 -22.6 -10.5 95 95 A V H 3< S+ 0 0 11 -4,-4.1 -3,-0.2 1,-0.3 -2,-0.2 0.824 105.2 56.5 -56.0 -33.1 -23.2 -22.8 -12.3 96 96 A R T 3< S+ 0 0 29 -4,-1.9 2,-0.7 -5,-0.3 -1,-0.3 0.476 90.8 85.8 -74.2 -2.8 -24.7 -20.6 -9.6 97 97 A T < + 0 0 32 -3,-3.4 -1,-0.1 1,-0.1 4,-0.1 -0.890 55.5 176.1-101.7 104.4 -22.0 -18.0 -10.3 98 98 A L > - 0 0 11 -2,-0.7 3,-1.4 1,-0.2 -1,-0.1 0.815 8.2-177.7 -84.1 -31.7 -23.4 -15.9 -13.2 99 99 A G G > S+ 0 0 2 1,-0.3 3,-2.6 84,-0.3 4,-0.2 -0.469 73.9 0.4 67.3-136.7 -20.7 -13.2 -13.6 100 100 A S G > S+ 0 0 21 1,-0.3 3,-2.3 2,-0.2 -1,-0.3 0.739 122.3 75.7 -56.7 -25.5 -21.5 -10.7 -16.3 101 101 A A G < S+ 0 0 3 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.595 81.7 70.5 -65.4 -9.1 -24.8 -12.5 -16.9 102 102 A N G < S+ 0 0 25 -3,-2.6 -1,-0.3 2,-0.1 -2,-0.2 0.615 82.0 95.0 -73.5 -16.9 -26.0 -10.9 -13.7 103 103 A L S < S- 0 0 2 -3,-2.3 5,-0.1 -4,-0.2 76,-0.0 -0.523 86.7-110.5 -75.4 141.8 -26.0 -7.6 -15.6 104 104 A P >> - 0 0 76 0, 0.0 4,-2.1 0, 0.0 3,-0.6 -0.277 43.4 -93.4 -63.1 164.3 -29.3 -6.4 -17.1 105 105 A L H 3> S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.857 122.4 51.9 -50.5 -50.1 -29.3 -6.6 -20.9 106 106 A A H 3> S+ 0 0 73 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.886 114.0 44.9 -59.7 -38.7 -28.2 -3.0 -21.6 107 107 A K H <> S+ 0 0 72 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.815 107.9 57.5 -76.7 -29.8 -25.2 -3.4 -19.3 108 108 A R H X S+ 0 0 18 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.931 109.3 46.1 -59.1 -47.1 -24.3 -6.8 -20.8 109 109 A Q H X S+ 0 0 99 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.893 112.7 50.0 -62.9 -41.1 -24.1 -5.1 -24.2 110 110 A Q H X S+ 0 0 84 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.891 111.8 49.0 -62.0 -41.1 -22.0 -2.3 -22.7 111 111 A Y H X S+ 0 0 25 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.940 112.7 46.4 -64.3 -48.9 -19.7 -4.9 -21.0 112 112 A N H X S+ 0 0 9 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.883 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694 85 B D > - 0 0 48 1,-0.2 4,-1.7 2,-0.1 -2,-0.1 -0.630 62.8-166.1 -71.8 115.1 -18.4 -8.7 35.3 695 86 B P H > S+ 0 0 69 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.847 86.5 59.3 -71.5 -33.6 -17.1 -7.0 32.0 696 87 B Q H > S+ 0 0 75 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.891 108.2 45.2 -59.2 -43.5 -15.2 -4.3 33.9 697 88 B L H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.910 109.4 55.5 -65.7 -45.5 -13.2 -7.1 35.6 698 89 B R H X S+ 0 0 81 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.883 108.2 49.6 -53.8 -42.1 -12.7 -8.9 32.3 699 90 B R H X S+ 0 0 76 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.901 111.7 47.8 -64.3 -43.4 -11.2 -5.7 30.9 700 91 B I H X S+ 0 0 13 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.905 113.5 45.7 -67.0 -42.8 -8.8 -5.2 33.8 701 92 B I H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.837 108.6 56.7 -74.9 -32.4 -7.5 -8.8 33.9 702 93 B G H X S+ 0 0 14 -4,-1.9 4,-0.5 -5,-0.3 -1,-0.2 0.911 108.7 48.4 -57.1 -44.4 -7.1 -8.8 30.1 703 94 B A H >< S+ 0 0 56 -4,-1.6 3,-1.2 1,-0.2 -2,-0.2 0.941 110.6 49.9 -62.4 -47.7 -4.8 -5.7 30.5 704 95 B V H 3< S+ 0 0 7 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.866 105.3 56.0 -61.9 -40.8 -2.8 -7.3 33.3 705 96 B R H 3< S+ 0 0 33 -4,-2.1 2,-0.8 -24,-0.1 -1,-0.3 0.580 90.3 85.0 -69.6 -13.0 -2.1 -10.6 31.4 706 97 B T << + 0 0 29 -3,-1.2 -1,-0.1 -4,-0.5 90,-0.1 -0.853 57.5 177.7 -90.1 106.8 -0.6 -8.5 28.5 707 98 B L > - 0 0 15 -2,-0.8 3,-1.7 1,-0.2 -1,-0.1 0.745 7.3-179.5 -87.5 -27.5 3.0 -8.0 29.6 708 99 B G G > S+ 0 0 2 1,-0.3 3,-2.9 84,-0.2 4,-0.3 -0.383 74.1 4.9 63.9-132.5 4.4 -6.1 26.6 709 100 B S G > S+ 0 0 21 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.604 122.3 74.2 -63.7 -11.9 8.1 -5.2 27.0 710 101 B A G < S+ 0 0 2 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.533 82.1 69.3 -75.0 -9.3 8.1 -7.3 30.2 711 102 B N G < S+ 0 0 29 -3,-2.9 -1,-0.2 2,-0.0 -2,-0.2 0.688 86.3 91.6 -72.2 -20.5 7.9 -10.3 27.9 712 103 B L S < S- 0 0 3 -3,-0.9 76,-0.0 -4,-0.3 80,-0.0 -0.402 85.3-109.2 -75.1 151.7 11.5 -9.5 26.9 713 104 B P > - 0 0 71 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.180 39.8 -96.4 -66.7 171.9 14.6 -10.9 28.8 714 105 B L H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.916 121.4 50.7 -60.6 -49.5 16.7 -8.6 31.0 715 106 B A H > S+ 0 0 70 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.893 114.8 44.3 -57.5 -42.3 19.4 -7.7 28.4 716 107 B K H > S+ 0 0 68 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.806 107.8 58.1 -74.8 -32.3 16.7 -6.8 25.8 717 108 B R H X S+ 0 0 10 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.894 108.6 47.4 -58.4 -41.5 14.7 -4.8 28.4 718 109 B Q H X S+ 0 0 93 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.843 111.3 50.1 -69.0 -34.6 17.8 -2.7 28.9 719 110 B Q H X S+ 0 0 96 -4,-1.4 4,-1.9 -5,-0.2 -2,-0.2 0.916 111.8 48.0 -71.9 -42.9 18.3 -2.2 25.2 720 111 B Y H X S+ 0 0 28 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.958 112.6 46.9 -57.9 -57.1 14.7 -1.2 24.6 721 112 B N H X S+ 0 0 8 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.862 113.4 50.1 -57.0 -39.5 14.6 1.3 27.5 722 113 B A H X S+ 0 0 19 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.844 106.7 54.9 -67.7 -36.5 18.0 2.8 26.4 723 114 B L H X S+ 0 0 8 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.885 105.1 53.0 -65.5 -38.0 16.7 3.1 22.8 724 115 B L H X S+ 0 0 42 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.925 110.5 48.0 -61.3 -44.6 13.7 5.2 23.9 725 116 B S H X S+ 0 0 8 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.920 113.6 46.4 -59.7 -48.7 16.1 7.6 25.8 726 117 B Q H X S+ 0 0 80 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.930 113.4 47.0 -63.1 -50.7 18.4 8.0 22.8 727 118 B M H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.920 115.1 48.4 -57.2 -44.8 15.7 8.5 20.2 728 119 B S H X S+ 0 0 10 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.913 111.0 49.3 -62.6 -44.8 14.0 11.1 22.6 729 120 B R H X S+ 0 0 117 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.913 111.2 49.8 -62.4 -44.2 17.3 12.9 23.3 730 121 B I H X S+ 0 0 24 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.920 113.1 45.2 -64.3 -47.6 18.2 13.2 19.6 731 122 B Y H >< S+ 0 0 7 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.976 118.4 41.7 -56.3 -56.4 14.8 14.6 18.5 732 123 B S H 3< S+ 0 0 22 -4,-2.2 203,-0.3 1,-0.2 -1,-0.2 0.617 121.7 40.1 -75.3 -15.0 14.5 17.1 21.3 733 124 B T H 3< S+ 0 0 33 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.378 83.9 120.1-111.7 0.1 18.1 18.3 21.2 734 125 B A << - 0 0 16 -4,-1.0 12,-0.5 -3,-0.8 2,-0.3 -0.409 42.3-172.6 -65.8 141.0 18.6 18.4 17.4 735 126 B K E -E 745 0D 79 10,-0.1 2,-0.5 38,-0.1 10,-0.2 -0.895 25.1-132.8-133.6 163.5 19.5 21.8 16.0 736 127 B V E -E 744 0D 7 8,-2.3 8,-2.6 -2,-0.3 2,-0.2 -0.934 26.8-165.2-118.9 104.4 20.0 23.6 12.6 737 128 B d E E 743 0D 66 -2,-0.5 6,-0.2 6,-0.3 5,-0.1 -0.571 360.0 360.0 -90.9 154.0 23.2 25.6 12.4 738 129 B L 0 0 100 4,-1.0 -1,-0.1 -2,-0.2 5,-0.1 0.774 360.0 360.0 -95.8 360.0 23.9 28.2 9.8 739 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 740 133 B T 0 0 152 0, 0.0 -3,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 25.5 28.0 29.7 11.3 741 134 B A + 0 0 88 -4,-0.1 2,-0.1 -3,-0.1 -4,-0.0 0.978 360.0 30.9 -73.5 -86.7 27.5 31.1 14.8 742 135 B T - 0 0 109 -5,-0.1 -4,-1.0 1,-0.0 2,-0.4 -0.361 67.6-137.7 -86.5 156.0 24.1 30.3 16.4 743 136 B d E -E 737 0D 41 -6,-0.2 2,-0.3 -5,-0.1 -6,-0.3 -0.929 14.6-129.1-119.1 134.1 22.0 27.2 16.0 744 137 B W E -E 736 0D 54 -8,-2.6 -8,-2.3 -2,-0.4 2,-0.2 -0.620 15.4-149.0 -85.2 134.9 18.2 27.1 15.6 745 138 B S E > -E 735 0D 14 -2,-0.3 5,-2.4 -10,-0.2 6,-0.3 -0.632 25.4-116.5 -91.7 158.9 16.0 24.9 17.8 746 139 B L T >S+ 0 0 22 -12,-0.5 5,-2.3 1,-0.3 6,-0.2 0.914 97.1 66.7 -56.1 -46.6 12.7 23.4 16.5 747 140 B D T 5S- 0 0 32 1,-0.2 -1,-0.3 3,-0.2 190,-0.0 -0.970 119.6 -5.7-129.9 114.1 10.7 25.3 19.1 748 141 B P T >5S+ 0 0 35 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.983 133.5 47.6 -93.7 -13.6 10.6 28.4 19.0 749 142 B D H >5S+ 0 0 54 2,-0.2 4,-2.3 1,-0.2 -3,-0.2 0.924 117.1 31.6 -67.4 -59.3 13.0 29.1 16.1 750 143 B L H > - 0 0 59 1,-0.2 4,-2.3 2,-0.0 3,-0.4 -0.893 61.3-151.0-102.6 111.9 10.8 33.5 1.5 760 153 B Y H > S+ 0 0 16 -2,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.881 94.4 48.2 -47.2 -48.5 11.0 30.2 -0.4 761 154 B A H > S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.865 110.5 49.5 -67.8 -39.1 14.7 29.7 0.2 762 155 B M H > S+ 0 0 56 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.911 111.4 49.5 -65.8 -43.9 14.6 30.4 4.0 763 156 B L H X S+ 0 0 3 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.902 111.3 50.2 -60.2 -43.2 11.6 28.0 4.4 764 157 B L H X S+ 0 0 0 -4,-2.2 4,-3.4 -5,-0.3 5,-0.3 0.925 108.8 50.8 -62.0 -46.7 13.5 25.3 2.5 765 158 B F H X S+ 0 0 46 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.926 114.4 44.9 -57.4 -45.3 16.7 25.8 4.6 766 159 B A H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.903 116.5 45.0 -65.4 -44.5 14.6 25.4 7.7 767 160 B W H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.924 117.6 43.7 -65.8 -46.9 12.6 22.4 6.4 768 161 B E H X S+ 0 0 47 -4,-3.4 4,-2.3 2,-0.2 5,-0.2 0.884 113.1 50.6 -66.4 -43.5 15.7 20.6 5.0 769 162 B G H X S+ 0 0 19 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.891 112.2 47.3 -65.1 -39.6 17.9 21.2 8.0 770 163 B W H X S+ 0 0 2 -4,-1.7 4,-2.6 -5,-0.2 5,-0.5 0.960 112.9 46.9 -66.3 -50.2 15.3 19.9 10.4 771 164 B H H X S+ 0 0 1 -4,-2.1 4,-1.6 1,-0.2 5,-0.5 0.891 117.7 43.1 -63.3 -40.0 14.5 16.8 8.5 772 165 B N H X S+ 0 0 41 -4,-2.3 4,-1.1 3,-0.2 -1,-0.2 0.907 115.0 49.3 -66.4 -45.5 18.2 15.9 8.0 773 166 B A H < S+ 0 0 31 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.914 123.6 27.8 -64.4 -47.5 19.2 16.8 11.6 774 167 B A H X S+ 0 0 0 -4,-2.6 4,-0.7 -5,-0.2 -3,-0.2 0.929 124.1 45.7 -80.3 -47.4 16.5 14.8 13.4 775 168 B G H >X S+ 0 0 0 -4,-1.6 4,-1.2 -5,-0.5 3,-0.6 0.915 101.7 58.3 -67.3 -50.9 15.8 12.0 10.9 776 169 B I H >< S+ 0 0 60 -4,-1.1 3,-0.6 -5,-0.5 -1,-0.2 0.895 110.3 40.0 -56.1 -52.9 19.2 10.7 9.7 777 170 B P H 34 S+ 0 0 60 0, 0.0 4,-0.5 0, 0.0 -1,-0.3 0.708 110.7 61.6 -71.0 -17.4 20.7 9.7 13.1 778 171 B L H S+ 0 0 68 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.876 115.5 48.6 -63.8 -31.0 19.3 2.9 12.9 781 174 B L H > S+ 0 0 31 -4,-0.5 4,-2.6 -3,-0.3 -2,-0.2 0.911 109.0 53.8 -69.0 -41.8 17.9 3.2 16.4 782 175 B Y H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.838 104.0 54.7 -63.3 -33.9 14.3 3.0 15.1 783 176 B E H X S+ 0 0 67 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.939 111.5 45.5 -63.6 -44.7 15.0 -0.3 13.2 784 177 B D H X S+ 0 0 71 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.896 111.2 52.1 -65.3 -42.2 16.2 -1.8 16.5 785 178 B F H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.924 108.2 51.9 -58.2 -46.8 13.3 -0.4 18.5 786 179 B T H X S+ 0 0 11 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.908 109.3 49.0 -58.1 -45.7 10.8 -1.9 16.0 787 180 B A H X S+ 0 0 62 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.927 114.2 44.8 -62.0 -47.7 12.3 -5.4 16.2 788 181 B L H X S+ 0 0 12 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.861 111.7 53.2 -64.7 -38.1 12.3 -5.5 20.0 789 182 B S H X S+ 0 0 3 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.893 110.2 46.8 -66.2 -40.8 8.8 -4.1 20.2 790 183 B N H X S+ 0 0 16 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.879 110.7 52.2 -67.5 -40.5 7.4 -6.7 17.9 791 184 B E H X S+ 0 0 62 -4,-1.9 4,-1.1 -5,-0.2 -2,-0.2 0.936 110.1 50.1 -60.4 -47.0 9.2 -9.5 19.8 792 185 B A H < S+ 0 0 0 -4,-2.2 3,-0.5 1,-0.2 4,-0.3 0.941 115.3 40.2 -54.0 -54.5 7.7 -8.2 23.0 793 186 B Y H ><>S+ 0 0 33 -4,-2.1 5,-1.7 1,-0.2 3,-0.5 0.677 103.8 66.8 -80.4 -17.7 4.1 -8.1 21.9 794 187 B K H ><5S+ 0 0 113 -4,-1.9 3,-1.8 1,-0.2 -1,-0.2 0.853 94.4 59.9 -66.6 -33.3 4.1 -11.3 19.8 795 188 B Q T 3<5S+ 0 0 99 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.718 99.6 57.0 -69.8 -17.9 4.5 -13.2 23.1 796 189 B D T < 5S- 0 0 9 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.2 0.414 129.3 -97.5 -85.0 -0.9 1.2 -11.7 24.2 797 190 B G T < 5S+ 0 0 69 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.533 81.5 131.9 96.5 8.6 -0.5 -13.2 21.1 798 191 B F < - 0 0 47 -5,-1.7 -1,-0.3 1,-0.1 -2,-0.1 -0.740 58.3-137.7 -92.4 141.6 -0.4 -10.1 18.8 799 192 B T S S- 0 0 107 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.840 84.8 -20.4 -66.2 -32.5 0.9 -10.5 15.2 800 193 B D S > S- 0 0 9 -7,-0.1 4,-1.5 1,-0.1 3,-0.4 -0.972 72.4 -91.0-162.0 173.7 2.7 -7.2 15.7 801 194 B T H > S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.842 120.8 60.6 -58.0 -37.0 2.8 -4.0 17.8 802 195 B G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.911 102.5 50.7 -55.8 -46.6 0.5 -2.3 15.4 803 196 B A H > S+ 0 0 20 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.854 109.4 51.7 -60.6 -38.8 -2.2 -4.9 16.0 804 197 B Y H X S+ 0 0 45 -4,-1.5 4,-0.6 2,-0.2 3,-0.3 0.952 110.9 47.3 -61.2 -50.6 -1.8 -4.3 19.8 805 198 B W H >< S+ 0 0 21 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.918 110.8 51.9 -56.4 -46.0 -2.2 -0.5 19.3 806 199 B R H >< S+ 0 0 51 -4,-2.6 3,-1.7 1,-0.2 5,-0.3 0.829 97.3 68.8 -60.5 -32.5 -5.3 -1.0 17.1 807 200 B S H >< S+ 0 0 44 -4,-1.5 3,-2.0 -3,-0.3 -1,-0.2 0.731 78.1 78.7 -63.4 -25.8 -6.9 -3.2 19.7 808 201 B W T << S+ 0 0 79 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.1 0.672 90.6 56.9 -54.4 -20.1 -7.4 -0.3 22.2 809 202 B Y T < S- 0 0 6 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.577 94.9-145.0 -91.0 -11.2 -10.4 0.7 20.0 810 203 B N < + 0 0 104 -3,-2.0 -3,-0.1 -4,-0.2 -2,-0.1 0.890 53.2 129.2 46.1 51.6 -12.2 -2.7 20.4 811 204 B S > - 0 0 26 -5,-0.3 3,-1.1 1,-0.1 -1,-0.2 -0.983 47.5-160.3-132.0 122.5 -13.7 -2.7 16.9 812 205 B P T 3 S+ 0 0 142 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.809 98.9 45.4 -68.8 -26.2 -13.2 -5.7 14.7 813 206 B T T 3> S+ 0 0 62 1,-0.2 4,-2.3 2,-0.1 5,-0.2 0.002 77.8 128.3-105.9 27.7 -13.9 -3.5 11.6 814 207 B F H <> + 0 0 13 -3,-1.1 4,-2.3 1,-0.2 5,-0.2 0.881 69.8 45.7 -53.2 -56.2 -11.7 -0.6 12.7 815 208 B E H > S+ 0 0 88 1,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.889 114.9 48.0 -63.1 -40.3 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