==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/VIRAL PROTEIN 07-JUN-11 3SCI . COMPND 2 MOLECULE: ANGIOTENSIN-CONVERTING ENZYME 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.WU,G.PENG,M.WILKEN,R.GERAGHTY,F.LI . 1542 6 12 10 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 68077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1033 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 5.5 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 . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 1 0.1 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 . 79 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 203 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 575 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 1.9 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 10 2 7 2 1 4 2 3 0 1 2 2 1 2 2 4 2 0 0 0 0 0 2 0 0 0 5 RESIDUES PER ALPHA HELIX . 5 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 . 9 1 2 2 2 2 0 2 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 1 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 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 0 101 0, 0.0 1331,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-133.3 -3.1 -31.5 53.2 2 20 A T > - 0 0 77 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.325 360.0-120.8 -61.5 142.7 -1.5 -30.3 50.0 3 21 A I H > S+ 0 0 73 2,-0.2 4,-0.7 1,-0.2 -1,-0.1 0.800 114.3 54.0 -57.3 -30.2 2.3 -29.6 50.2 4 22 A E H >> S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 3,-1.6 0.994 111.6 40.4 -62.2 -65.3 1.5 -26.1 49.2 5 23 A E H 3> S+ 0 0 91 1,-0.3 4,-1.1 2,-0.2 -2,-0.2 0.797 117.3 52.0 -56.6 -29.2 -1.1 -25.4 51.9 6 24 A Q H 3< S+ 0 0 32 -4,-2.6 -1,-0.3 2,-0.2 -2,-0.2 0.624 107.5 50.9 -86.2 -12.7 1.1 -27.2 54.3 7 25 A A H XX S+ 0 0 2 -3,-1.6 4,-2.3 -4,-0.7 3,-2.2 0.835 104.8 56.8 -83.3 -40.1 4.1 -25.1 53.3 8 26 A K H 3X S+ 0 0 71 -4,-2.5 4,-1.6 1,-0.3 -2,-0.2 0.889 104.5 54.5 -51.4 -40.3 2.0 -21.9 53.9 9 27 A T H 3< S+ 0 0 28 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.1 0.148 109.4 48.1 -85.8 16.8 1.5 -23.3 57.4 10 28 A F H X> S+ 0 0 0 -3,-2.2 4,-2.4 3,-0.1 3,-0.6 0.641 108.7 48.7-111.7 -53.9 5.3 -23.5 57.9 11 29 A L H 3X S+ 0 0 3 -4,-2.3 4,-3.8 1,-0.3 5,-0.2 0.835 108.1 59.2 -52.7 -36.5 6.4 -20.1 56.7 12 30 A D H 3X S+ 0 0 89 -4,-1.6 4,-1.5 -5,-0.3 -1,-0.3 0.854 108.7 41.4 -66.6 -37.8 3.7 -18.7 58.9 13 31 A K H <4 S+ 0 0 24 -3,-0.6 -1,-0.2 2,-0.2 4,-0.2 0.792 116.2 53.7 -74.1 -30.3 5.2 -20.2 62.0 14 32 A F H >X S+ 0 0 4 -4,-2.4 4,-3.4 2,-0.2 3,-1.2 0.964 108.6 45.6 -69.8 -51.1 8.6 -19.2 60.6 15 33 A N H 3X S+ 0 0 10 -4,-3.8 4,-3.2 1,-0.2 5,-0.2 0.969 114.7 45.7 -54.2 -58.3 7.8 -15.5 60.1 16 34 A H H 3< S+ 0 0 80 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.395 120.8 41.2 -74.8 7.0 6.1 -15.0 63.4 17 35 A E H <> S+ 0 0 91 -3,-1.2 4,-2.1 -4,-0.2 -1,-0.2 0.654 115.7 46.9-113.9 -40.0 8.9 -16.8 65.2 18 36 A A H X S+ 0 0 0 -4,-3.4 4,-2.7 2,-0.2 5,-0.3 0.920 106.4 60.5 -64.7 -47.1 11.8 -15.4 63.2 19 37 A E H X S+ 0 0 7 -4,-3.2 4,-2.0 -5,-0.3 -1,-0.2 0.927 111.9 37.8 -45.9 -54.4 10.5 -11.9 63.6 20 38 A D H > S+ 0 0 22 -5,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.932 115.1 51.6 -67.1 -46.8 10.7 -12.1 67.4 21 39 A L H X S+ 0 0 27 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.764 112.5 49.3 -63.5 -26.5 14.0 -14.1 67.6 22 40 A F H X S+ 0 0 60 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.852 104.3 56.2 -75.8 -42.0 15.5 -11.5 65.2 23 41 A Y H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.810 102.8 59.1 -62.2 -28.3 14.2 -8.6 67.3 24 42 A Q H X S+ 0 0 65 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.991 108.6 42.5 -58.4 -60.6 16.1 -10.3 70.1 25 43 A S H X S+ 0 0 23 -4,-1.3 4,-2.7 22,-0.3 -2,-0.2 0.805 114.3 51.8 -56.9 -36.2 19.4 -10.0 68.2 26 44 A S H X S+ 0 0 12 -4,-2.4 4,-3.4 2,-0.2 -1,-0.2 0.960 107.1 50.7 -67.3 -51.0 18.7 -6.4 67.0 27 45 A L H X S+ 0 0 25 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.879 116.0 44.6 -55.3 -40.2 17.9 -5.1 70.5 28 46 A A H X S+ 0 0 12 -4,-1.9 4,-2.0 2,-0.2 3,-0.4 0.999 111.9 49.1 -62.3 -71.5 21.2 -6.6 71.6 29 47 A S H X S+ 0 0 31 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.837 113.5 51.4 -32.0 -47.3 23.3 -5.5 68.6 30 48 A W H X S+ 0 0 18 -4,-3.4 4,-0.5 2,-0.2 -1,-0.2 0.937 104.5 53.1 -63.8 -52.2 21.7 -2.0 69.3 31 49 A N H >X S+ 0 0 82 -4,-2.3 4,-2.6 -3,-0.4 3,-0.8 0.914 114.5 45.0 -46.4 -48.5 22.6 -1.9 73.0 32 50 A Y H 3< S+ 0 0 61 -4,-2.0 -2,-0.2 1,-0.2 3,-0.2 0.964 105.4 55.3 -62.8 -60.8 26.2 -2.7 72.0 33 51 A N H 3< S+ 0 0 38 -4,-2.5 292,-0.9 1,-0.2 -1,-0.2 0.521 122.9 32.6 -55.2 -1.1 26.7 -0.3 69.1 34 52 A T H << S+ 0 0 9 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.647 127.7 30.9-128.1 -32.4 25.6 2.5 71.6 35 53 A N S < S- 0 0 62 -4,-2.6 2,-0.6 -5,-0.2 5,-0.3 -0.592 82.6-155.6-125.7 64.4 26.8 1.6 75.1 36 54 A I + 0 0 72 287,-1.7 2,-0.2 -2,-0.1 287,-0.2 -0.230 34.8 148.5 -51.5 95.5 30.0 -0.3 74.1 37 55 A T > - 0 0 49 -2,-0.6 4,-1.6 1,-0.1 -2,-0.1 -0.715 60.3-123.6-120.5 170.1 30.4 -2.6 77.1 38 56 A E H > S+ 0 0 133 -2,-0.2 4,-1.1 2,-0.2 5,-0.1 0.820 116.8 54.7 -77.5 -38.9 31.8 -6.1 77.7 39 57 A E H > S+ 0 0 147 2,-0.2 4,-1.2 1,-0.2 3,-0.4 0.952 114.3 40.1 -54.0 -52.6 28.5 -7.0 79.2 40 58 A N H >> S+ 0 0 23 -5,-0.3 4,-2.4 1,-0.2 3,-0.7 0.950 108.0 57.6 -65.5 -54.2 26.7 -5.8 76.1 41 59 A V H 3< S+ 0 0 35 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.733 106.4 53.7 -52.8 -23.7 29.1 -7.1 73.4 42 60 A Q H >X S+ 0 0 104 -4,-1.1 3,-1.3 -3,-0.4 4,-1.2 0.883 106.3 49.2 -80.1 -40.6 28.5 -10.6 74.9 43 61 A N H XX>S+ 0 0 86 -4,-1.2 4,-0.9 -3,-0.7 5,-0.6 0.899 101.5 65.2 -59.1 -41.4 24.7 -10.3 74.6 44 62 A M H 3<5S+ 0 0 52 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.635 106.6 44.3 -55.8 -15.5 25.3 -9.3 71.0 45 63 A N H <>5S+ 0 0 67 -3,-1.3 4,-2.1 -5,-0.2 -1,-0.3 0.699 105.4 60.6-102.0 -28.2 26.7 -12.8 70.6 46 64 A N H XX5S+ 0 0 88 -4,-1.2 4,-2.8 -3,-0.5 3,-0.8 0.995 117.3 25.8 -61.5 -79.1 24.0 -14.8 72.5 47 65 A A H 3X5S+ 0 0 12 -4,-0.9 4,-1.4 1,-0.2 -22,-0.3 0.781 119.0 66.6 -56.2 -27.8 20.9 -14.0 70.5 48 66 A G H 3>< S+ 0 0 21 -4,-2.1 3,-0.8 -5,-0.3 -1,-0.2 0.900 107.4 49.9 -68.9 -40.8 13.7 -28.0 58.3 62 80 A A H >< S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.724 95.1 71.5 -71.5 -24.1 12.6 -26.1 55.2 63 81 A Q H 3< S+ 0 0 78 -4,-1.4 -1,-0.2 1,-0.2 4,-0.2 0.860 81.7 76.2 -56.5 -35.8 14.5 -28.5 53.0 64 82 A M T << S+ 0 0 113 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.679 81.2 75.8 -48.4 -27.6 11.8 -31.0 53.9 65 83 A Y S < S- 0 0 9 -3,-1.5 2,-0.3 -4,-0.2 -1,-0.1 -0.849 94.0-118.0 -98.5 114.0 9.4 -29.3 51.5 66 84 A P - 0 0 60 0, 0.0 3,-0.4 0, 0.0 -2,-0.1 -0.320 8.8-144.7 -62.0 113.2 10.2 -30.2 47.8 67 85 A L S S+ 0 0 124 -2,-0.3 3,-0.4 1,-0.2 13,-0.1 0.813 95.5 60.1 -35.9 -40.7 11.2 -27.1 45.8 68 86 A Q S S+ 0 0 134 1,-0.2 2,-2.4 3,-0.0 -1,-0.2 0.928 88.9 60.3 -61.0 -60.6 9.4 -28.8 42.9 69 87 A E S S+ 0 0 124 -3,-0.4 2,-0.3 2,-0.0 -1,-0.2 -0.210 87.4 98.2 -80.6 52.3 5.7 -29.4 43.8 70 88 A I + 0 0 15 -2,-2.4 3,-0.0 -3,-0.4 -66,-0.0 -0.877 34.2 168.7-137.1 163.5 4.8 -25.7 44.3 71 89 A Q + 0 0 158 -2,-0.3 2,-0.8 0, 0.0 3,-0.1 0.474 53.7 95.9-155.0 -8.5 3.1 -22.8 42.5 72 90 A N > - 0 0 72 1,-0.2 3,-3.4 2,-0.0 5,-0.2 -0.241 63.4-157.4 -88.5 47.4 2.2 -19.7 44.8 73 91 A L T 3> S+ 0 0 79 -2,-0.8 4,-3.8 1,-0.3 5,-0.2 0.302 87.0 62.0 21.0 -70.7 5.5 -17.9 43.7 74 92 A T H 3> S+ 0 0 55 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.901 110.0 42.1 -37.4 -51.1 5.5 -15.8 46.9 75 93 A V H <> S+ 0 0 9 -3,-3.4 4,-2.9 2,-0.2 -1,-0.2 0.919 112.3 52.7 -68.1 -42.1 5.8 -19.1 48.8 76 94 A K H > S+ 0 0 66 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.909 109.7 50.7 -61.5 -40.9 8.3 -20.6 46.4 77 95 A L H X S+ 0 0 62 -4,-3.8 4,-2.5 2,-0.2 -1,-0.2 0.957 112.3 45.3 -57.1 -54.7 10.4 -17.4 46.9 78 96 A Q H X S+ 0 0 11 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.917 114.6 47.4 -59.0 -47.1 10.3 -17.6 50.6 79 97 A L H X S+ 0 0 1 -4,-2.9 4,-3.2 2,-0.2 -1,-0.2 0.958 110.5 52.2 -60.6 -52.6 11.1 -21.3 50.7 80 98 A Q H < S+ 0 0 98 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.928 109.6 49.5 -45.2 -59.5 13.9 -21.0 48.3 81 99 A A H < S+ 0 0 31 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.885 114.0 45.6 -46.7 -49.8 15.5 -18.3 50.4 82 100 A L H < S+ 0 0 12 -4,-2.2 2,-2.1 1,-0.2 -2,-0.2 0.915 99.2 69.4 -67.7 -47.9 15.2 -20.3 53.5 83 101 A Q < + 0 0 41 -4,-3.2 2,-0.5 -21,-0.2 -1,-0.2 -0.548 67.3 142.5 -71.8 83.2 16.5 -23.6 52.0 84 102 A Q - 0 0 89 -2,-2.1 3,-0.3 1,-0.2 4,-0.2 -0.882 27.2-179.9-130.1 94.9 20.0 -22.2 51.7 85 103 A N > + 0 0 55 -2,-0.5 2,-1.6 1,-0.2 3,-1.4 0.995 25.6 145.5 -58.5 -65.5 22.6 -24.9 52.5 86 104 A G T 3 S+ 0 0 11 1,-0.3 -1,-0.2 86,-0.1 90,-0.1 -0.481 80.8 16.5 67.4 -87.2 25.7 -22.7 51.9 87 105 A S T > S+ 0 0 68 -2,-1.6 3,-1.7 -3,-0.3 -1,-0.3 0.822 118.8 67.3 -82.7 -37.1 28.0 -24.2 54.5 88 106 A S T < S+ 0 0 39 -3,-1.4 -1,-0.1 1,-0.3 -2,-0.1 0.861 85.5 68.7 -51.8 -44.5 26.1 -27.5 55.1 89 107 A V T 3 S+ 0 0 56 83,-0.0 -1,-0.3 6,-0.0 -2,-0.1 0.566 95.0 72.5 -61.6 -7.4 26.8 -28.9 51.7 90 108 A L S < S- 0 0 28 -3,-1.7 5,-0.1 1,-0.2 -3,-0.0 -0.211 91.6 -90.7 -93.8-176.3 30.4 -29.3 52.6 91 109 A S - 0 0 75 3,-0.3 -1,-0.2 -2,-0.1 0, 0.0 0.137 40.3-104.9 -71.9-161.3 32.4 -31.6 55.0 92 110 A E S > S+ 0 0 167 3,-0.1 4,-1.5 4,-0.0 3,-0.5 0.778 121.3 35.6 -96.5 -42.1 33.0 -30.8 58.6 93 111 A D H > S+ 0 0 114 1,-0.2 2,-3.3 2,-0.2 4,-2.8 0.977 113.6 56.5 -68.1 -61.5 36.7 -30.0 58.0 94 112 A K H 4 S+ 0 0 91 1,-0.2 -3,-0.3 2,-0.2 -1,-0.2 -0.065 114.1 43.0 -70.1 43.9 36.2 -28.4 54.6 95 113 A S H > S+ 0 0 19 -2,-3.3 4,-2.1 -3,-0.5 -1,-0.2 0.325 112.1 45.4-153.4 -50.7 33.7 -26.0 56.2 96 114 A K H X S+ 0 0 107 -4,-1.5 4,-1.6 -3,-0.4 -2,-0.2 0.791 113.0 57.1 -70.7 -27.4 35.3 -24.9 59.5 97 115 A R H X S+ 0 0 74 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.943 106.1 46.7 -67.8 -50.3 38.4 -24.5 57.4 98 116 A L H > S+ 0 0 4 -5,-0.3 4,-2.5 1,-0.3 -2,-0.2 0.979 110.7 53.1 -50.3 -60.0 36.8 -22.0 55.0 99 117 A N H X S+ 0 0 93 -4,-2.1 4,-1.9 1,-0.2 -1,-0.3 0.833 108.6 52.0 -41.1 -41.5 35.4 -20.3 58.1 100 118 A T H X S+ 0 0 56 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.970 106.8 50.9 -63.3 -55.0 39.0 -20.1 59.3 101 119 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.898 110.4 51.9 -49.0 -48.2 40.3 -18.6 56.1 102 120 A L H X S+ 0 0 35 -4,-2.5 4,-2.6 1,-0.2 3,-0.2 0.973 109.2 44.8 -55.3 -66.3 37.6 -15.9 56.2 103 121 A N H X S+ 0 0 98 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.797 112.3 52.9 -53.0 -36.0 38.1 -14.6 59.8 104 122 A T H X S+ 0 0 58 -4,-2.1 4,-3.5 2,-0.2 5,-0.3 0.955 110.7 47.0 -64.5 -51.4 41.9 -14.5 59.4 105 123 A M H X S+ 0 0 0 -4,-2.3 4,-2.8 -3,-0.2 5,-0.3 0.939 111.8 51.9 -51.8 -52.0 41.6 -12.4 56.2 106 124 A S H X S+ 0 0 40 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.900 116.5 38.8 -52.8 -48.0 39.1 -10.1 57.9 107 125 A T H X S+ 0 0 72 -4,-2.3 4,-4.6 2,-0.2 5,-0.3 0.943 113.5 52.4 -73.5 -50.3 41.4 -9.6 60.9 108 126 A I H X S+ 0 0 15 -4,-3.5 4,-1.8 1,-0.2 -2,-0.2 0.890 113.4 47.0 -53.5 -40.6 44.7 -9.4 59.1 109 127 A Y H < S+ 0 0 20 -4,-2.8 17,-0.3 -5,-0.3 -1,-0.2 0.940 120.1 37.9 -63.6 -48.9 43.0 -6.7 56.8 110 128 A S H < S+ 0 0 74 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.856 125.6 39.8 -69.4 -32.9 41.6 -4.9 59.8 111 129 A T H < S+ 0 0 87 -4,-4.6 2,-0.2 -5,-0.1 -3,-0.2 0.527 87.0 113.6 -98.8 -10.5 44.8 -5.5 62.0 112 130 A G < + 0 0 9 -4,-1.8 14,-0.9 -5,-0.3 2,-0.3 -0.466 37.1 170.8 -65.8 128.9 47.4 -5.0 59.3 113 131 A K B -A 125 0A 128 -2,-0.2 2,-0.3 12,-0.2 12,-0.3 -0.935 21.6-135.2-131.3 157.3 49.7 -2.0 59.8 114 132 A V - 0 0 4 10,-2.3 2,-0.5 -2,-0.3 10,-0.3 -0.868 14.1-121.1-121.0 154.6 52.9 -1.1 57.9 115 133 A a - 0 0 66 -2,-0.3 8,-0.2 8,-0.2 6,-0.1 -0.817 15.4-127.6-109.1 126.4 56.3 0.1 59.1 116 134 A N > - 0 0 46 6,-1.1 3,-1.1 -2,-0.5 6,-0.2 -0.482 13.9-161.5 -66.2 109.7 58.1 3.2 58.1 117 135 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.838 93.5 52.8 -64.7 -31.1 61.6 2.3 56.9 118 136 A D T 3 S+ 0 0 154 1,-0.3 -2,-0.1 2,-0.1 -3,-0.0 0.558 130.7 14.7 -80.5 -11.1 62.8 5.9 57.4 119 137 A N X - 0 0 65 -3,-1.1 3,-1.4 3,-0.2 -3,-0.4 -0.514 66.5-174.2-161.3 93.0 61.5 5.7 61.0 120 138 A P T 3 S+ 0 0 98 0, 0.0 -4,-0.1 0, 0.0 -2,-0.1 0.599 76.3 72.5 -67.9 -12.4 60.7 2.2 62.4 121 139 A Q T 3 S+ 0 0 179 1,-0.1 2,-0.5 -6,-0.1 -6,-0.0 0.680 93.1 58.7 -79.7 -17.3 59.2 3.5 65.7 122 140 A E < + 0 0 105 -3,-1.4 -6,-1.1 -6,-0.2 2,-0.3 -0.964 60.9 160.2-116.1 121.3 56.0 4.9 64.0 123 141 A a - 0 0 28 -2,-0.5 -8,-0.2 -8,-0.2 2,-0.1 -0.880 14.1-171.5-145.1 108.0 53.8 2.4 62.1 124 142 A L - 0 0 64 -2,-0.3 -10,-2.3 -10,-0.3 2,-0.1 -0.462 16.9-121.9 -98.2 167.0 50.1 3.1 61.3 125 143 A L B > -A 113 0A 58 -12,-0.3 5,-2.1 3,-0.2 6,-0.3 -0.372 39.2 -87.3 -98.2-178.7 47.3 1.0 59.8 126 144 A L T >S+ 0 0 13 -14,-0.9 5,-3.8 -17,-0.3 6,-0.4 0.957 106.5 69.1 -55.5 -57.4 45.2 1.5 56.7 127 145 A E T 5S- 0 0 126 3,-0.2 -1,-0.2 -17,-0.2 -2,-0.1 -0.928 114.1 -1.4-112.9 125.2 42.5 3.6 58.5 128 146 A P T 5S+ 0 0 66 0, 0.0 2,-1.4 0, 0.0 3,-0.2 0.754 132.0 34.1 -83.3-149.4 43.5 6.2 59.3 129 147 A G T >5S+ 0 0 14 1,-0.3 4,-2.1 -2,-0.1 -3,-0.2 -0.646 121.4 40.7 92.3 -85.4 47.1 7.0 58.5 130 148 A L H >> S+ 0 0 98 -6,-0.4 4,-1.9 2,-0.2 5,-0.4 0.886 107.3 46.7 -70.6 -43.1 45.2 9.6 55.1 133 151 A I H - 0 0 71 1,-0.2 4,-3.1 2,-0.0 5,-0.3 -0.872 59.8-147.9-104.1 115.5 54.6 13.6 47.4 140 158 A Y H > S+ 0 0 25 -2,-0.6 4,-3.2 1,-0.2 -1,-0.2 0.862 98.1 38.7 -45.0 -52.1 55.2 11.0 44.7 141 159 A N H > S+ 0 0 87 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.957 112.5 53.2 -65.8 -57.4 57.4 8.9 46.9 142 160 A E H > S+ 0 0 88 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.913 117.1 42.9 -44.0 -48.3 55.5 9.2 50.2 143 161 A R H X S+ 0 0 3 -4,-3.1 4,-2.1 1,-0.2 5,-0.3 0.958 111.7 51.1 -64.3 -53.8 52.5 8.1 48.1 144 162 A L H X S+ 0 0 40 -4,-3.2 4,-1.9 -5,-0.3 -1,-0.2 0.841 109.0 54.9 -53.9 -35.8 54.3 5.3 46.3 145 163 A W H X S+ 0 0 75 -4,-3.3 4,-3.1 2,-0.2 5,-0.2 0.959 108.1 44.8 -66.1 -55.6 55.5 4.0 49.6 146 164 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 5,-0.2 0.957 113.9 50.6 -48.5 -58.0 52.1 3.6 51.3 147 165 A W H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.880 117.0 40.3 -49.5 -45.0 50.6 2.0 48.3 148 166 A E H X S+ 0 0 27 -4,-1.9 4,-1.9 -5,-0.3 5,-0.2 0.927 110.2 55.5 -75.9 -48.6 53.4 -0.5 48.0 149 167 A S H >X S+ 0 0 10 -4,-3.1 4,-3.8 2,-0.2 3,-1.0 0.959 110.1 48.1 -44.9 -62.4 53.9 -1.3 51.6 150 168 A W H 3<>S+ 0 0 0 -4,-2.2 5,-1.4 1,-0.3 4,-0.4 0.904 114.7 41.9 -47.6 -58.9 50.2 -2.3 52.0 151 169 A R H 3<5S+ 0 0 10 -4,-1.7 329,-0.6 -5,-0.2 -1,-0.3 0.696 121.1 46.3 -67.3 -16.8 50.0 -4.5 48.9 152 170 A S H 5S+ 0 0 1 -4,-0.4 4,-1.1 1,-0.2 -3,-0.2 0.674 121.1 66.6 -70.0 -16.6 49.3 -7.6 53.9 155 173 A G H > S+ 0 0 75 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.933 117.0 46.4 -60.7 -48.2 48.0 -18.2 50.2 161 179 A L H X S+ 0 0 31 -4,-0.6 4,-3.3 1,-0.2 -2,-0.2 0.900 112.1 50.8 -56.5 -46.1 44.7 -17.9 52.1 162 180 A Y H X S+ 0 0 1 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.855 108.2 53.0 -65.2 -35.3 43.0 -16.4 49.1 163 181 A E H X S+ 0 0 55 -4,-2.3 4,-0.7 -5,-0.3 -1,-0.2 0.935 114.0 41.8 -60.8 -47.4 44.2 -19.2 47.0 164 182 A E H >X S+ 0 0 70 -4,-2.3 4,-1.7 1,-0.2 3,-0.8 0.895 111.4 58.8 -66.6 -40.6 42.8 -21.7 49.4 165 183 A Y H 3X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.2 5,-0.3 0.898 98.8 56.2 -51.8 -49.8 39.6 -19.6 49.7 166 184 A V H 3X S+ 0 0 16 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.767 108.6 49.3 -63.7 -24.9 38.8 -19.7 46.1 167 185 A V H <>S+ 0 0 0 -4,-2.7 5,-1.0 1,-0.2 3,-0.7 0.874 110.2 49.2 -60.0 -44.4 29.3 -23.2 45.1 174 192 A R H ><5S+ 0 0 132 -4,-3.4 3,-1.5 1,-0.2 -1,-0.2 0.833 102.9 63.2 -67.7 -31.7 29.4 -26.1 42.6 175 193 A A H 3<5S+ 0 0 45 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.772 97.8 55.8 -63.6 -29.2 27.7 -28.4 45.1 176 194 A N T <<5S- 0 0 33 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.084 130.4 -93.4 -93.6 24.3 24.6 -26.3 45.1 177 195 A H T < 5S+ 0 0 173 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.853 82.3 137.2 68.1 41.8 24.3 -26.7 41.3 178 196 A Y < - 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0 0 8 -2,-0.4 -8,-0.1 -8,-0.1 2,-0.0 -0.834 20.3-146.1-146.1 98.2 -27.6 49.0 11.3 722 142 B L - 0 0 71 -2,-0.3 -10,-1.0 -11,-0.1 5,-0.1 -0.276 14.2-137.5 -72.7 156.5 -24.3 47.2 11.7 723 143 B L B > -G 711 0F 62 3,-0.3 5,-2.8 -12,-0.2 6,-0.3 -0.057 37.2 -75.1 -97.8-166.5 -22.7 45.1 9.0 724 144 B L T >S+ 0 0 19 -14,-0.6 5,-2.6 -17,-0.2 6,-0.3 0.992 110.1 56.1 -57.2 -65.4 -20.9 41.7 8.9 725 145 B E T 5S+ 0 0 111 3,-0.2 -1,-0.2 2,-0.1 2,-0.2 -0.972 117.1 6.8-124.0 127.1 -17.6 42.9 10.4 726 146 B P T 5S+ 0 0 70 0, 0.0 2,-1.2 0, 0.0 -3,-0.3 0.732 134.2 27.6 -75.7-163.1 -17.6 44.2 13.0 727 147 B G T >5S+ 0 0 8 1,-0.2 4,-2.3 -2,-0.2 -3,-0.2 -0.689 120.1 44.6 98.5 -84.3 -21.0 44.1 14.6 728 148 B L H > S+ 0 0 102 -6,-0.3 4,-1.5 2,-0.2 5,-0.4 0.935 110.1 44.6 -65.6 -45.8 -19.4 40.6 17.1 731 151 B I H >X S+ 0 0 28 -4,-2.3 4,-2.7 1,-0.2 3,-0.7 0.970 112.9 47.4 -62.6 -60.7 -22.8 39.1 17.8 732 152 B M H 3< S+ 0 0 0 -4,-2.2 116,-0.3 1,-0.2 -1,-0.2 0.758 116.4 45.8 -53.4 -29.8 -22.2 35.6 16.4 733 153 B A H 3< S+ 0 0 25 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.759 130.9 14.2 -89.2 -25.3 -18.9 35.3 18.3 734 154 B N H << S+ 0 0 89 -4,-1.5 -3,-0.2 -3,-0.7 -2,-0.2 0.733 87.6 109.0-121.4 -36.4 -20.1 36.6 21.7 735 155 B S < - 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0 0 49 -5,-2.1 -1,-0.3 -8,-0.2 3,-0.1 -0.724 69.2-115.8-106.8 166.1 -13.1 20.0 -18.2 777 197 B E S S- 0 0 95 1,-0.3 2,-0.3 -2,-0.3 -5,-0.1 0.914 86.7 -40.8 -66.0 -43.8 -16.1 18.1 -16.8 778 198 B D > - 0 0 1 -7,-0.1 4,-3.0 -3,-0.0 -1,-0.3 -0.951 68.3 -79.5-169.0 174.2 -17.3 21.3 -14.9 779 199 B Y H > S+ 0 0 12 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.831 132.3 59.2 -55.7 -30.6 -16.0 24.2 -12.9 780 200 B G H > S+ 0 0 0 2,-0.2 4,-2.4 261,-0.2 5,-0.3 0.989 107.3 42.1 -54.3 -61.9 -15.9 21.6 -10.2 781 201 B D H > S+ 0 0 3 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.861 112.0 58.8 -55.1 -35.5 -13.5 19.5 -12.3 782 202 B Y H >< S+ 0 0 58 -4,-3.0 3,-0.8 2,-0.2 4,-0.5 0.957 107.6 43.4 -58.6 -53.7 -11.7 22.8 -13.1 783 203 B W H >< S+ 0 0 25 -4,-2.9 3,-1.7 1,-0.3 4,-0.3 0.962 107.7 56.9 -59.2 -53.9 -11.0 23.6 -9.5 784 204 B R H >< S+ 0 0 7 -4,-2.4 3,-1.6 1,-0.3 -1,-0.3 0.752 89.6 85.8 -45.3 -24.5 -9.9 20.0 -8.7 785 205 B G G X< S+ 0 0 10 -4,-0.9 3,-3.5 -3,-0.8 -1,-0.3 0.906 72.0 69.2 -39.8 -58.2 -7.5 20.8 -11.6 786 206 B D G < S+ 0 0 71 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.681 97.2 51.0 -36.8 -37.0 -5.0 22.4 -9.2 787 207 B Y G < S+ 0 0 1 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.450 90.0 108.2 -87.3 0.0 -4.1 19.0 -7.6 788 208 B E < - 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0 0 19 4,-0.4 3,-0.3 -2,-0.4 -8,-0.1 -0.796 17.1-136.0 -86.6 129.8 -32.3 18.2 21.3 838 258 B P S S+ 0 0 68 0, 0.0 345,-0.4 0, 0.0 -1,-0.1 0.484 112.5 24.5 -51.3 -11.1 -30.1 15.6 23.0 839 259 B I S S+ 0 0 77 2,-0.1 348,-2.2 343,-0.1 351,-0.1 0.355 106.6 101.0-134.8 -8.0 -30.2 13.8 19.7 840 260 B G S S- 0 0 0 -3,-0.3 348,-0.1 346,-0.2 345,-0.1 -0.169 77.5 -94.1 -74.5 170.3 -30.9 16.7 17.3 841 261 B C - 0 0 0 346,-0.4 -4,-0.4 349,-0.4 226,-0.3 -0.281 49.8 -88.7 -74.0 171.8 -28.5 18.5 15.1 842 262 B L E -i 1067 0H 0 224,-2.4 226,-2.8 220,-0.1 2,-0.1 -0.744 40.7-109.6 -93.5 125.3 -26.9 21.7 16.2 843 263 B P E > -i 1068 0H 0 0, 0.0 3,-2.6 0, 0.0 226,-0.2 -0.345 25.0-136.8 -51.1 119.8 -28.6 25.0 15.6 844 264 B A G > S+ 0 0 2 224,-3.8 3,-0.7 1,-0.3 225,-0.1 0.717 101.0 54.9 -56.5 -27.8 -26.6 26.7 12.9 845 265 B H G 3 S+ 0 0 0 223,-0.3 -1,-0.3 1,-0.2 3,-0.3 0.399 97.7 64.9 -88.6 2.5 -26.8 30.1 14.6 846 266 B L G < S+ 0 0 1 -3,-2.6 -1,-0.2 1,-0.1 -2,-0.2 0.328 74.3 96.4-103.3 10.6 -25.4 28.7 17.9 847 267 B L S < S- 0 0 4 -3,-0.7 11,-0.3 2,-0.3 10,-0.2 0.355 94.7-105.4 -97.6 3.2 -21.9 27.8 16.6 848 268 B G S S+ 0 0 2 -116,-0.3 2,-0.3 -3,-0.3 9,-0.1 0.325 93.4 48.0 96.6 -10.0 -19.8 30.8 17.5 849 269 B D S S- 0 0 22 7,-0.1 -2,-0.3 8,-0.0 -1,-0.1 -0.936 99.0 -85.3-145.7 179.0 -19.4 32.5 14.1 850 270 B M S S+ 0 0 0 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.1 0.810 124.5 13.5 -50.1 -43.2 -21.6 33.5 11.3 851 271 B W S S- 0 0 38 -4,-0.1 -1,-0.2 3,-0.1 232,-0.0 0.471 103.0-113.2-115.3 -12.6 -21.7 30.2 9.4 852 272 B G + 0 0 2 2,-0.2 180,-0.1 -7,-0.1 3,-0.1 0.645 68.1 144.7 80.6 16.8 -20.2 28.0 12.1 853 273 B R S S+ 0 0 37 1,-0.2 2,-0.4 179,-0.1 180,-0.2 0.810 74.5 28.5 -53.5 -35.6 -17.1 27.4 10.0 854 274 B F - 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