==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-JAN-11 3QJR . COMPND 2 MOLECULE: CYTOCHROME C OXIDASE SUBUNIT 1; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR B.LIU,Y.ZHANG,J.T.SAGE,T.DOUKOV,Y.CHEN,C.D.STOUT,J.A FEE . 751 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26349.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 608 81.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 33 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 383 51.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.8 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 1 1 1 3 2 0 0 0 1 1 0 0 0 0 1 1 0 0 2 1 0 1 1 0 2 4 RESIDUES PER ALPHA HELIX . 3 0 0 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 PARALLEL BRIDGES PER LADDER . 2 1 2 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 11 A V > 0 0 45 0, 0.0 4,-0.6 0, 0.0 7,-0.3 0.000 360.0 360.0 360.0 -33.3 45.1 -57.7 23.2 2 12 A Y T 4 + 0 0 62 2,-0.1 7,-0.2 1,-0.1 6,-0.1 0.773 360.0 61.1 -92.0 -28.4 44.1 -54.8 25.5 3 13 A E T 4 S+ 0 0 182 1,-0.2 -1,-0.1 2,-0.2 4,-0.0 0.803 120.2 23.4 -77.0 -30.5 46.9 -54.7 28.0 4 14 A A T 4 S+ 0 0 60 1,-0.2 3,-0.2 2,-0.0 -1,-0.2 0.693 137.0 36.6-102.9 -26.1 49.7 -54.0 25.5 5 15 A Y S >< S+ 0 0 74 -4,-0.6 3,-0.7 1,-0.1 4,-0.5 -0.670 70.0 147.8-111.4 72.8 47.4 -52.5 22.9 6 16 A P T >> + 0 0 27 0, 0.0 4,-1.6 0, 0.0 3,-0.7 0.728 67.1 71.9 -75.6 -19.4 45.0 -50.7 25.3 7 17 A E H 3> S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.767 87.2 67.1 -57.7 -28.0 44.7 -48.1 22.6 8 18 A K H <> S+ 0 0 5 -3,-0.7 4,-1.2 -7,-0.3 -1,-0.2 0.877 101.8 43.8 -60.7 -42.9 42.8 -50.8 20.9 9 19 A K H X> S+ 0 0 85 -3,-0.7 4,-2.3 -4,-0.5 3,-1.3 0.989 112.1 50.0 -64.9 -61.4 40.0 -50.6 23.5 10 20 A A H 3X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.3 -2,-0.2 0.852 110.5 52.9 -47.9 -38.2 39.8 -46.8 23.7 11 21 A T H 3X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 -1,-0.3 0.830 107.4 51.0 -69.5 -31.8 39.5 -46.9 19.9 12 22 A L H X S+ 0 0 57 -4,-2.5 4,-2.1 2,-0.2 3,-0.8 0.974 113.3 45.9 -67.1 -55.2 30.9 -47.9 19.1 17 27 A L H 3X S+ 0 0 17 -4,-1.7 4,-2.0 1,-0.3 -2,-0.2 0.849 114.0 52.7 -53.1 -37.4 29.6 -44.6 20.5 18 28 A G H 3X S+ 0 0 2 -4,-2.3 4,-1.6 1,-0.2 -1,-0.3 0.772 108.6 47.1 -72.1 -30.2 30.1 -43.2 17.0 19 29 A F H < S+ 0 0 0 -4,-2.6 3,-1.3 -5,-0.3 4,-0.4 0.924 107.8 56.6 -66.3 -45.6 20.3 -40.0 13.7 26 36 A S H >< S+ 0 0 10 -4,-2.0 3,-1.4 -5,-0.3 -1,-0.2 0.741 88.3 76.9 -62.6 -28.0 19.8 -41.9 10.5 27 37 A L T 3X S+ 0 0 58 -4,-1.5 4,-0.6 1,-0.3 -1,-0.3 0.818 94.4 50.9 -49.4 -38.2 16.3 -43.1 11.6 28 38 A F H <> S+ 0 0 0 -3,-1.3 4,-1.8 -4,-0.4 -1,-0.3 0.685 92.8 81.0 -76.1 -19.9 14.9 -39.6 10.7 29 39 A G H X> S+ 0 0 16 -3,-1.4 4,-2.7 -4,-0.4 3,-1.0 0.956 89.5 47.2 -51.5 -65.9 16.6 -39.7 7.3 30 40 A P H 3> S+ 0 0 13 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.862 112.1 51.7 -42.4 -46.9 13.9 -41.8 5.6 31 41 A F H 3X S+ 0 0 31 -4,-0.6 4,-2.3 2,-0.2 10,-0.4 0.823 110.9 47.7 -63.8 -33.4 11.2 -39.6 7.0 32 42 A Q H <>S+ 0 0 32 -4,-2.3 5,-2.5 -5,-0.2 3,-1.9 0.929 107.0 57.2 -65.4 -47.8 9.7 -38.8 2.2 35 45 A N H ><5S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.3 -2,-0.2 0.858 106.6 49.3 -46.8 -42.5 8.9 -35.3 3.4 36 46 A Y T 3<5S+ 0 0 18 -4,-2.0 -1,-0.3 1,-0.3 424,-0.2 0.506 105.4 57.9 -80.2 -2.6 10.8 -34.1 0.3 37 47 A G T < 5S- 0 0 8 -3,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.131 123.7-109.0-103.5 13.8 8.8 -36.5 -1.8 38 48 A N T < 5S+ 0 0 53 -3,-1.2 2,-0.5 1,-0.2 -3,-0.2 0.597 81.4 127.1 68.8 16.9 5.7 -34.7 -0.5 39 49 A V < - 0 0 68 -5,-2.5 2,-1.0 418,-0.1 -2,-0.2 -0.914 53.6-144.6-106.7 123.8 4.7 -37.7 1.7 40 50 A D + 0 0 63 -2,-0.5 4,-0.1 404,-0.2 -8,-0.1 -0.736 31.8 159.0 -93.3 100.8 4.1 -37.0 5.4 41 51 A A >> + 0 0 16 -2,-1.0 4,-1.6 -10,-0.4 3,-0.7 0.396 45.2 99.0 -99.5 3.2 5.3 -40.0 7.4 42 52 A Y H 3> S+ 0 0 16 1,-0.3 4,-3.4 2,-0.2 5,-0.3 0.808 70.3 61.0 -71.2 -34.2 5.7 -38.2 10.7 43 53 A P H 3> S+ 0 0 88 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.865 109.2 49.4 -57.4 -30.0 2.5 -39.1 12.5 44 54 A L H <> S+ 0 0 69 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.923 112.8 44.2 -70.8 -47.5 3.8 -42.7 12.1 45 55 A L H X S+ 0 0 5 -4,-1.6 4,-4.2 1,-0.2 7,-0.2 0.896 111.0 55.4 -62.3 -38.7 7.2 -41.8 13.4 46 56 A K H < S+ 0 0 98 -4,-3.4 -1,-0.2 2,-0.2 -2,-0.2 0.786 107.1 50.7 -67.9 -28.1 5.6 -39.8 16.3 47 57 A R H < S+ 0 0 187 -4,-1.0 -2,-0.2 -5,-0.3 -1,-0.2 0.967 117.0 39.7 -67.9 -53.4 3.6 -43.0 17.1 48 58 A L H < S+ 0 0 113 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.962 128.0 33.0 -58.6 -57.9 6.9 -45.0 17.2 49 59 A L S >< S- 0 0 46 -4,-4.2 3,-0.9 1,-0.1 -1,-0.3 -0.830 70.1-179.8-105.0 93.3 9.0 -42.3 18.9 50 60 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.622 76.1 65.2 -68.8 -17.1 6.5 -40.4 21.2 51 61 A F T 3 S+ 0 0 74 2,-0.0 2,-0.1 0, 0.0 -5,-0.1 0.797 77.8 100.6 -74.0 -30.7 9.2 -38.0 22.4 52 62 A V < + 0 0 2 -3,-0.9 3,-0.1 -7,-0.2 63,-0.1 -0.351 46.5 177.9 -61.3 130.2 9.6 -36.4 19.0 53 63 A Q + 0 0 108 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.763 55.3 3.2-105.0 -35.5 7.7 -33.1 18.8 54 64 A S > - 0 0 19 1,-0.1 4,-1.7 -8,-0.0 -1,-0.3 -0.937 68.0-104.0-150.5 165.9 8.3 -31.7 15.3 55 65 A Y H > S+ 0 0 5 -2,-0.3 4,-2.0 1,-0.2 -1,-0.1 0.852 123.5 53.2 -57.5 -34.0 9.9 -32.2 11.9 56 66 A Y H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 66,-0.3 0.783 101.2 54.8 -80.8 -30.5 12.4 -29.8 13.2 57 67 A Q H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.908 111.0 49.9 -61.8 -40.9 13.3 -31.6 16.4 58 68 A G H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.942 108.9 50.4 -59.0 -49.3 13.9 -34.5 14.1 59 69 A L H X S+ 0 0 27 -4,-2.0 4,-2.3 2,-0.2 64,-0.2 0.848 108.3 52.0 -63.3 -38.0 16.2 -32.4 11.8 60 70 A T H X S+ 0 0 2 -4,-2.1 4,-2.9 1,-0.2 3,-0.4 0.994 112.2 46.0 -58.1 -59.6 18.2 -31.2 14.7 61 71 A L H X S+ 0 0 4 -4,-2.2 4,-1.5 1,-0.2 5,-0.4 0.814 111.9 52.6 -53.2 -35.4 18.8 -34.7 15.9 62 72 A H H X S+ 0 0 26 -4,-2.3 4,-1.1 3,-0.2 5,-0.4 0.889 115.1 39.7 -71.1 -38.7 19.6 -35.8 12.4 63 73 A G H X>S+ 0 0 12 -4,-2.3 4,-2.5 -3,-0.4 5,-1.0 0.980 119.2 44.1 -70.9 -55.4 22.2 -33.2 11.9 64 74 A V H X>S+ 0 0 12 -4,-2.9 5,-2.9 -5,-0.2 4,-1.3 0.950 116.8 43.2 -59.7 -56.8 23.8 -33.2 15.3 65 75 A L H <>S+ 0 0 23 -4,-1.5 5,-3.3 -5,-0.3 -1,-0.2 0.936 126.1 31.9 -56.4 -47.8 24.0 -37.0 15.8 66 76 A N H <>S+ 0 0 22 -4,-1.1 5,-1.3 -5,-0.4 -2,-0.2 0.974 128.4 28.8 -77.5 -57.2 25.3 -37.6 12.2 67 77 A A H <5S+ 0 0 13 -4,-2.5 -3,-0.2 -5,-0.4 -1,-0.1 0.658 135.0 27.3 -86.1 -18.4 27.4 -34.7 11.1 68 78 A I T XX S+ 0 0 0 -4,-0.5 4,-2.4 -5,-0.2 3,-0.8 0.937 120.8 33.1 -80.2 -57.0 39.2 -43.0 16.2 78 88 A I H 3X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.886 115.6 54.4 -72.7 -43.0 41.1 -43.1 12.9 79 89 A M H 3< S+ 0 0 0 -4,-3.4 -1,-0.2 -5,-0.2 101,-0.1 0.264 120.4 31.4 -86.6 15.6 43.3 -40.1 13.4 80 90 A V H <> S+ 0 0 1 -3,-0.8 4,-2.2 -5,-0.2 -2,-0.2 0.484 121.8 46.6-123.0 -45.4 44.7 -41.4 16.6 81 91 A Y H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.919 108.7 53.4 -70.3 -42.3 44.6 -45.1 16.1 82 92 A L H X S+ 0 0 0 -4,-2.3 4,-1.3 -5,-0.3 -1,-0.2 0.875 113.4 42.5 -64.6 -40.5 46.1 -45.1 12.6 83 93 A P H > S+ 0 0 1 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.922 111.0 57.2 -65.5 -44.8 49.2 -43.1 13.6 84 94 A A H X>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 4,-0.8 0.911 110.8 42.5 -49.8 -49.9 49.5 -45.1 16.8 85 95 A R H <5S+ 0 0 39 -4,-2.4 -1,-0.2 3,-0.2 -3,-0.1 0.782 112.7 52.8 -73.3 -28.9 49.7 -48.5 14.9 86 96 A E H <5S+ 0 0 58 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.947 118.2 36.1 -68.8 -46.9 52.0 -47.1 12.2 87 97 A L H <5S- 0 0 19 -4,-2.8 -2,-0.2 2,-0.1 -1,-0.2 0.615 104.1-134.1 -71.8 -14.9 54.5 -45.8 14.8 88 98 A N T <5 + 0 0 105 -4,-0.8 2,-0.3 -5,-0.3 -3,-0.2 0.980 60.6 136.4 46.2 58.6 53.8 -48.8 17.0 89 99 A M < - 0 0 44 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.961 58.0-118.6-131.5 152.1 53.5 -46.4 19.9 90 100 A R - 0 0 104 -2,-0.3 3,-0.1 -3,-0.1 -85,-0.0 -0.819 26.0-133.6 -91.8 126.4 51.1 -46.1 22.7 91 101 A P - 0 0 2 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.338 46.6 -80.1 -62.5 153.1 49.1 -42.8 23.0 92 102 A N > - 0 0 76 60,-0.2 4,-2.3 1,-0.2 5,-0.1 -0.484 49.6-162.6 -59.2 105.6 49.0 -41.2 26.4 93 103 A M H > S+ 0 0 31 -2,-0.8 4,-2.6 2,-0.2 5,-0.3 0.885 84.2 58.7 -66.5 -40.8 46.3 -43.5 27.8 94 104 A G H > S+ 0 0 57 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.951 113.8 40.2 -46.3 -53.8 45.4 -41.2 30.7 95 105 A L H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.842 110.7 58.0 -67.8 -36.8 44.6 -38.5 28.1 96 106 A M H X S+ 0 0 2 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.951 108.5 43.7 -63.5 -47.5 42.9 -40.8 25.7 97 107 A W H X S+ 0 0 65 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.792 110.0 58.6 -68.0 -25.5 40.3 -42.0 28.1 98 108 A L H X S+ 0 0 79 -4,-1.2 4,-2.2 -5,-0.3 -1,-0.2 0.899 105.0 49.3 -67.2 -40.9 39.8 -38.5 29.3 99 109 A S H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.861 111.0 50.6 -67.4 -33.5 38.9 -37.4 25.8 100 110 A W H X S+ 0 0 23 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.947 110.0 48.5 -68.7 -46.9 36.4 -40.3 25.5 101 111 A W H X S+ 0 0 131 -4,-2.4 4,-3.6 1,-0.2 5,-0.3 0.889 111.1 51.3 -57.3 -42.0 34.7 -39.4 28.8 102 112 A M H X S+ 0 0 38 -4,-2.2 4,-3.3 1,-0.2 5,-0.2 0.934 110.5 47.9 -58.8 -48.4 34.4 -35.8 27.7 103 113 A A H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.787 118.2 42.6 -64.4 -29.3 32.9 -36.9 24.4 104 114 A F H X S+ 0 0 69 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.871 116.6 44.0 -85.7 -42.8 30.5 -39.1 26.3 105 115 A I H X S+ 0 0 91 -4,-3.6 4,-2.7 2,-0.2 -2,-0.2 0.929 117.3 49.0 -63.5 -45.2 29.7 -36.7 29.1 106 116 A G H X S+ 0 0 1 -4,-3.3 4,-2.2 -5,-0.3 5,-0.2 0.891 110.9 49.3 -60.0 -44.0 29.3 -34.0 26.5 107 117 A L H X S+ 0 0 32 -4,-1.3 4,-2.5 -5,-0.2 -1,-0.2 0.921 113.2 45.8 -63.5 -47.8 27.1 -36.1 24.3 108 118 A V H X S+ 0 0 60 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.963 112.2 51.5 -59.1 -52.5 24.7 -37.1 27.2 109 119 A V H < S+ 0 0 47 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.888 115.6 40.3 -55.6 -46.6 24.5 -33.5 28.5 110 120 A A H X S+ 0 0 10 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.898 109.7 61.3 -66.9 -40.1 23.6 -32.1 25.1 111 121 A A H X S+ 0 0 21 -4,-2.5 4,-2.9 -5,-0.2 5,-0.4 0.906 94.0 62.8 -51.9 -48.0 21.3 -35.0 24.3 112 122 A L H X S+ 0 0 115 -4,-2.1 4,-0.8 1,-0.3 -1,-0.2 0.839 109.4 39.1 -50.1 -50.0 18.9 -34.4 27.3 113 123 A P H 4>S+ 0 0 8 0, 0.0 5,-2.9 0, 0.0 6,-0.8 0.806 115.4 53.3 -63.2 -38.2 17.9 -30.9 26.0 114 124 A L H ><5S+ 0 0 7 -4,-1.7 3,-1.8 1,-0.2 5,-0.3 0.988 113.0 42.0 -63.8 -56.8 17.7 -32.1 22.3 115 125 A L H 3<5S+ 0 0 74 -4,-2.9 -1,-0.2 1,-0.3 -3,-0.2 0.717 110.3 59.5 -59.6 -23.8 15.4 -35.0 23.2 116 126 A A T 3<5S- 0 0 54 -4,-0.8 -1,-0.3 -5,-0.4 -2,-0.2 0.255 112.5-118.2 -90.9 14.5 13.4 -32.7 25.5 117 127 A N T < 5S+ 0 0 16 -3,-1.8 3,-0.3 1,-0.1 -3,-0.2 0.814 80.4 125.7 51.7 35.4 12.6 -30.4 22.6 118 128 A E S S- 0 0 2 -2,-2.0 4,-0.9 1,-0.1 5,-0.5 0.211 70.9-117.4-130.8 7.4 17.7 -25.0 16.7 122 132 A L T >4 - 0 0 3 -66,-0.3 3,-0.9 -3,-0.2 -62,-0.2 0.192 41.5 -69.0 64.1 168.5 19.4 -27.3 14.1 123 133 A Y T 34 S+ 0 0 44 1,-0.3 -1,-0.2 -64,-0.2 -63,-0.1 0.560 134.8 56.0 -69.2 -9.6 23.1 -28.3 14.0 124 134 A T T 34 S- 0 0 2 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.740 85.3-162.4 -88.8 -27.0 24.0 -24.7 13.0 125 135 A F << - 0 0 14 -3,-0.9 -3,-0.1 -4,-0.9 6,-0.1 0.858 11.8-166.7 42.4 50.7 22.2 -23.2 16.1 126 136 A Y > - 0 0 13 -5,-0.5 3,-1.4 4,-0.1 538,-0.2 -0.509 21.1-104.6 -66.4 114.8 22.1 -19.7 14.7 127 137 A P T 3 S+ 0 0 2 0, 0.0 3,-0.1 0, 0.0 537,-0.1 -0.326 102.7 54.0 -58.0 156.5 21.2 -17.0 17.2 128 138 A P T 3 S+ 0 0 0 0, 0.0 421,-2.4 0, 0.0 535,-0.1 -0.999 94.2 92.6 -74.6 -2.5 18.8 -15.4 18.1 129 139 A L B < S-a 549 0A 4 -3,-1.4 2,-0.7 419,-0.2 421,-0.2 -0.354 75.6-148.5 -51.9 120.8 17.3 -18.9 18.2 130 140 A K - 0 0 60 419,-2.9 -10,-0.1 -3,-0.1 -1,-0.1 -0.860 15.5-169.0-110.5 107.3 17.9 -19.6 21.8 131 141 A G - 0 0 6 -2,-0.7 -12,-0.2 -12,-0.1 2,-0.2 -0.276 37.3 -81.2 -80.4 170.3 18.6 -23.2 23.0 132 142 A H >> - 0 0 63 -14,-0.7 3,-2.7 1,-0.1 4,-0.9 -0.532 42.5-116.6 -72.0 139.2 18.8 -24.6 26.5 133 143 A W H >> S+ 0 0 114 69,-0.4 4,-2.6 1,-0.3 3,-0.6 0.832 112.1 62.6 -46.3 -43.8 22.1 -23.9 28.2 134 144 A A H 3> S+ 0 0 8 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.672 97.7 59.2 -62.8 -17.0 22.9 -27.7 28.5 135 145 A F H <> S+ 0 0 5 -3,-2.7 4,-2.4 2,-0.2 -1,-0.3 0.940 111.0 39.5 -69.7 -48.7 22.9 -27.8 24.7 136 146 A Y H < S+ 0 0 18 -4,-3.1 3,-1.4 -3,-0.4 4,-0.4 0.842 108.2 60.5 -75.6 -33.7 34.1 -30.4 20.8 144 154 A L H >X S+ 0 0 60 -4,-3.0 4,-0.8 -5,-0.3 3,-0.7 0.683 87.5 78.1 -64.0 -17.7 36.9 -29.6 23.4 145 155 A S H >X S+ 0 0 0 -4,-0.7 4,-1.3 -3,-0.4 3,-0.7 0.850 87.3 58.2 -57.3 -36.0 37.4 -33.4 23.5 146 156 A T H <> S+ 0 0 0 -3,-1.4 4,-3.2 -4,-0.3 -1,-0.3 0.776 93.1 65.5 -67.5 -28.4 39.3 -33.0 20.3 147 157 A W H <> S+ 0 0 87 -3,-0.7 4,-1.6 -4,-0.4 -1,-0.2 0.812 102.3 48.9 -62.4 -29.3 41.7 -30.6 21.9 148 158 A V H X S+ 0 0 10 -4,-3.2 4,-2.4 2,-0.2 3,-0.5 0.988 111.9 46.6 -45.3 -63.6 45.3 -32.9 19.2 151 161 A Y H 3X S+ 0 0 140 -4,-1.6 4,-3.1 1,-0.2 3,-0.3 0.928 107.9 56.1 -45.5 -61.3 47.6 -33.1 22.2 152 162 A I H 3X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.3 -1,-0.2 0.830 112.2 42.0 -38.3 -50.4 47.7 -36.9 22.1 153 163 A V H < S- 0 0 38 -4,-1.1 3,-1.6 3,-0.1 2,-0.5 -0.705 85.7-160.2-130.3 74.8 64.5 -41.0 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A A H X S+ 0 0 1 -4,-1.4 4,-1.5 1,-0.2 -2,-0.2 0.884 111.3 40.0 -65.0 -40.7 28.0 -15.1 15.6 215 225 A R H X S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.754 112.8 55.7 -83.8 -24.2 27.6 -16.7 12.2 216 226 A T H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.972 111.9 42.4 -63.3 -59.2 30.9 -15.3 11.0 217 227 A L H X S+ 0 0 2 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.834 112.2 57.7 -51.2 -41.3 32.8 -17.0 13.9 218 228 A F H >X S+ 0 0 18 -4,-1.5 4,-2.4 -5,-0.2 3,-0.7 0.958 108.5 43.6 -55.9 -50.3 30.6 -20.1 13.3 219 229 A W H 3X S+ 0 0 20 -4,-2.0 4,-2.2 2,-0.3 -2,-0.2 0.773 96.8 71.2 -77.7 -24.3 31.7 -20.4 9.7 220 230 A W H 3< S+ 0 0 27 -4,-2.0 -1,-0.3 1,-0.2 49,-0.2 0.913 118.7 25.9 -45.3 -45.7 35.4 -19.8 10.5 221 231 A T H X S+ 0 0 11 -4,-2.2 3,-1.7 1,-0.2 4,-0.9 0.987 116.0 48.1 -70.4 -54.6 33.9 -24.9 6.6 224 234 A P H >> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 3,-1.5 0.895 98.9 72.4 -54.3 -33.9 37.0 -26.6 7.9 225 235 A I H 3X S+ 0 0 30 -4,-2.9 4,-0.9 1,-0.3 -2,-0.2 0.835 93.6 54.0 -48.5 -37.9 34.9 -28.9 10.1 226 236 A V H X S+ 0 0 14 -4,-1.5 4,-2.1 -3,-0.2 3,-0.9 0.878 99.1 63.1 -83.7 -39.4 36.7 -35.8 5.2 231 241 A L H 3X S+ 0 0 2 -4,-3.3 4,-2.9 1,-0.3 5,-0.2 0.836 95.4 57.7 -66.3 -33.5 40.3 -36.3 6.0 232 242 A P H 3> S+ 0 0 1 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.871 112.1 45.8 -62.3 -31.1 40.0 -39.4 8.2 233 243 A A H <> S+ 0 0 0 -3,-0.9 4,-2.2 -4,-0.4 -2,-0.2 0.849 111.4 51.6 -74.6 -36.8 38.3 -40.9 5.2 234 244 A Y H X S+ 0 0 3 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.853 105.6 55.8 -63.9 -36.5 41.1 -39.6 3.0 235 245 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 5,-0.2 0.922 110.4 44.6 -64.6 -42.2 43.7 -41.1 5.2 236 246 A I H X>S+ 0 0 5 -4,-1.4 5,-2.3 1,-0.2 4,-2.1 0.899 112.5 51.8 -66.6 -41.4 42.0 -44.5 4.8 237 247 A I H <5S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.813 115.6 41.2 -63.7 -34.1 41.7 -44.1 1.1 238 248 A Y H <5S+ 0 0 0 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.786 127.9 25.6 -85.2 -34.1 45.4 -43.2 0.6 239 249 A T H <5S+ 0 0 6 -4,-1.9 260,-3.1 -5,-0.2 -2,-0.2 0.547 132.5 22.3-115.7 -10.9 47.0 -45.7 3.0 240 250 A I T >X5S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 3,-0.6 0.662 108.9 65.1-123.1 -40.5 44.7 -48.7 3.3 241 251 A L H 3>>S+ 0 0 2 0, 0.0 5,-3.1 0, 0.0 4,-0.5 0.834 108.9 47.9 -59.7 -29.7 45.2 -49.5 -2.2 243 253 A K H X45S+ 0 0 107 -3,-0.6 3,-0.6 254,-0.3 -2,-0.2 0.867 110.3 51.0 -70.3 -40.8 46.2 -52.6 -0.2 244 254 A Q H 3<5S+ 0 0 37 -4,-1.9 -1,-0.2 -3,-0.3 92,-0.2 0.810 109.7 52.5 -62.5 -30.6 42.5 -53.7 -0.1 245 255 A A H 3<5S- 0 0 0 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.652 121.0-110.6 -78.9 -17.9 42.5 -53.2 -3.9 246 256 A G T <<5S+ 0 0 35 -3,-0.6 -3,-0.2 -4,-0.5 -2,-0.1 0.615 86.9 76.6 94.6 18.2 45.6 -55.4 -4.3 247 257 A G S + 0 0 3 1,-0.1 4,-1.2 54,-0.1 -1,-0.2 -0.868 44.6 178.1-149.4 114.4 52.8 -41.5 -4.5 252 262 A D H > S+ 0 0 17 250,-1.0 4,-2.2 -2,-0.3 5,-0.2 0.906 92.5 52.7 -67.5 -47.5 53.8 -40.7 -0.9 253 263 A P H > S+ 0 0 5 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.889 106.3 53.2 -60.4 -38.9 54.7 -37.1 -1.8 254 264 A M H > S+ 0 0 13 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.935 108.3 48.9 -60.4 -48.5 51.4 -36.4 -3.5 255 265 A A H X S+ 0 0 0 -4,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.928 112.0 49.7 -58.7 -45.9 49.4 -37.5 -0.4 256 266 A R H X S+ 0 0 9 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.909 112.3 48.1 -55.7 -44.0 51.6 -35.3 1.8 257 267 A L H X S+ 0 0 39 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.899 109.0 52.2 -69.4 -44.7 51.0 -32.4 -0.6 258 268 A A H X S+ 0 0 0 -4,-3.1 4,-1.6 2,-0.2 -1,-0.2 0.964 114.6 43.4 -50.5 -55.4 47.3 -32.8 -0.7 259 269 A F H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.881 111.1 53.4 -62.6 -41.3 47.2 -32.9 3.1 260 270 A L H X S+ 0 0 6 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.950 106.7 53.1 -56.9 -47.6 49.6 -30.0 3.5 261 271 A L H X S+ 0 0 38 -4,-2.6 4,-2.9 1,-0.3 -1,-0.2 0.831 105.9 53.5 -61.7 -33.6 47.4 -27.9 1.2 262 272 A F H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.3 0.925 105.9 53.0 -63.0 -43.5 44.4 -28.7 3.4 263 273 A L H < S+ 0 0 3 -4,-2.2 4,-0.4 1,-0.2 3,-0.3 0.961 115.6 42.2 -54.6 -50.4 46.4 -27.4 6.4 264 274 A L H < S+ 0 0 23 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.917 127.2 24.6 -59.4 -52.5 47.0 -24.2 4.4 265 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117.8 77.2 -63.1 -8.0 17.4 -28.5 -1.5 370 380 A W H 3> S+ 0 0 8 -5,-0.3 4,-2.9 67,-0.3 -1,-0.3 0.818 86.6 58.4 -68.7 -34.3 20.5 -28.5 -3.8 371 381 A V H <> S+ 0 0 18 -3,-1.7 4,-2.3 -6,-0.4 -1,-0.2 0.928 106.4 45.3 -66.7 -46.7 22.7 -27.9 -0.8 372 382 A P H > S+ 0 0 18 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.812 111.4 56.2 -64.2 -28.3 21.6 -31.0 1.0 373 383 A G H X S+ 0 0 2 -4,-1.2 4,-0.9 2,-0.2 3,-0.4 0.968 107.0 49.1 -62.5 -57.3 22.0 -32.8 -2.3 374 384 A H H >X S+ 0 0 38 -4,-2.9 3,-1.4 1,-0.2 4,-0.7 0.955 114.7 43.0 -38.7 -65.7 25.6 -31.6 -2.5 375 385 A F H 3X>S+ 0 0 50 -4,-2.3 4,-2.1 1,-0.3 5,-1.2 0.667 102.7 62.2 -74.7 -15.6 26.6 -32.7 1.1 376 386 A H H 3<5S+ 0 0 32 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.740 103.9 53.5 -77.8 -17.9 24.9 -36.2 1.2 377 387 A L H <<>S+ 0 0 2 -3,-1.4 5,-1.1 -4,-0.9 -1,-0.2 0.737 119.1 35.2 -79.8 -25.4 27.3 -37.0 -1.7 378 388 A Q H <>S+ 0 0 38 -4,-0.7 5,-2.0 3,-0.2 4,-0.3 0.925 134.0 13.4 -88.7 -71.7 30.2 -35.9 0.5 379 389 A V T <>S+ 0 0 19 -4,-2.1 5,-1.9 1,-0.2 -3,-0.2 0.930 131.1 43.2 -80.1 -45.4 29.5 -36.7 4.1 380 390 A A T 5S+ 0 0 0 -6,-0.3 4,-2.5 3,-0.1 5,-0.3 0.771 128.4 26.4-109.5 -76.5 28.1 -41.0 1.1 382 392 A L H >< S+ 0 0 6 -4,-3.1 3,-1.4 2,-0.2 4,-0.3 0.928 114.6 46.3 -61.5 -51.9 31.1 -48.5 7.1 389 399 A G H >< S+ 0 0 0 -4,-3.6 3,-2.4 1,-0.3 4,-0.3 0.896 103.0 66.3 -60.1 -38.3 33.4 -50.6 4.9 390 400 A S T >X S+ 0 0 1 -4,-2.2 4,-2.9 -5,-0.4 3,-1.0 0.651 82.5 74.8 -62.2 -16.7 36.2 -50.0 7.2 391 401 A L H <> S+ 0 0 9 -3,-1.4 4,-2.0 -4,-0.4 -1,-0.3 0.823 83.9 70.1 -60.9 -27.3 34.5 -52.0 9.9 392 402 A Y H <4 S+ 0 0 48 -3,-2.4 -1,-0.2 -4,-0.3 -2,-0.2 0.694 116.8 17.5 -71.4 -19.8 35.5 -55.1 7.9 393 403 A W H <> S+ 0 0 20 -3,-1.0 4,-1.5 -4,-0.3 -1,-0.2 0.666 128.2 51.4-112.8 -31.9 39.1 -54.7 8.7 394 404 A L H X S+ 0 0 0 -4,-2.9 4,-1.3 2,-0.2 -3,-0.2 0.854 105.0 52.4 -77.4 -39.3 38.9 -52.4 11.8 395 405 A L H X S+ 0 0 10 -4,-2.0 4,-2.9 -5,-0.3 3,-0.4 0.948 112.3 44.9 -65.0 -48.3 36.4 -54.3 13.9 396 406 A P H > S+ 0 0 15 0, 0.0 4,-3.2 0, 0.0 -1,-0.2 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0.701 102.9 65.8 -73.7 -13.8 12.0 -35.3 -8.5 457 467 A M H - 0 0 105 -88,-3.5 3,-0.6 -2,-0.3 4,-0.5 -0.979 11.7-167.2-103.0 108.9 40.2 -65.2 17.4 489 499 A P G >> S+ 0 0 63 0, 0.0 4,-1.2 0, 0.0 3,-0.8 0.828 82.9 65.4 -61.1 -35.5 42.8 -63.3 19.5 490 500 A E G 34 S+ 0 0 115 1,-0.3 -90,-0.1 2,-0.2 -3,-0.0 0.712 98.8 49.8 -65.4 -28.8 45.4 -63.7 16.7 491 501 A L G X4 S+ 0 0 38 -3,-0.6 3,-0.7 -91,-0.2 -1,-0.3 0.632 104.9 59.5 -82.0 -15.9 43.5 -61.6 14.2 492 502 A A T <4 S+ 0 0 0 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.771 109.1 44.3 -76.3 -30.1 43.2 -58.9 17.0 493 503 A E T 3< S+ 0 0 112 -4,-1.2 -1,-0.2 -93,-0.1 -2,-0.2 0.064 90.1 115.7 -99.9 21.4 47.0 -59.0 17.0 494 504 A A S < S- 0 0 40 -3,-0.7 -94,-0.1 -5,-0.1 -3,-0.1 -0.836 74.1-111.8 -87.6 124.0 47.0 -58.9 13.1 495 505 A P - 0 0 120 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.176 38.4 -92.8 -58.1 149.0 48.7 -55.7 11.8 496 506 A L - 0 0 14 1,-0.1 2,-1.6 -414,-0.1 -102,-0.0 -0.128 40.8-105.4 -52.8 153.6 46.5 -53.2 10.0 497 507 A P + 0 0 33 0, 0.0 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0 0 56 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.834 107.7 55.0 -71.0 -30.7 53.6 -24.4 7.6 521 531 A F H X S+ 0 0 55 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.762 110.2 46.8 -71.5 -26.2 51.5 -24.2 10.8 522 532 A A H X S+ 0 0 47 -4,-0.9 4,-2.1 -5,-0.3 -2,-0.2 0.840 110.8 51.5 -83.3 -36.6 52.6 -20.5 11.1 523 533 A V H X S+ 0 0 36 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.918 112.2 47.3 -58.8 -45.5 51.9 -19.9 7.5 524 534 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.910 110.4 51.7 -64.4 -42.8 48.5 -21.4 7.9 525 535 A A H X S+ 0 0 34 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.854 108.8 51.1 -62.7 -39.2 47.9 -19.3 11.1 526 536 A I H X S+ 0 0 100 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.896 105.7 55.0 -62.3 -43.2 48.8 -16.1 9.3 527 537 A L H X S+ 0 0 55 -4,-1.8 4,-2.1 1,-0.2 5,-0.2 0.866 105.4 54.7 -60.5 -37.6 46.4 -16.8 6.3 528 538 A V H X>S+ 0 0 7 -4,-1.6 4,-2.1 2,-0.2 5,-0.6 0.902 110.2 44.2 -61.8 -43.2 43.7 -17.1 8.9 529 539 A V H X5S+ 0 0 101 -4,-1.3 4,-1.3 1,-0.2 -2,-0.2 0.859 113.0 52.0 -73.0 -33.4 44.4 -13.6 10.3 530 540 A L H <5S+ 0 0 105 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.881 116.3 39.0 -68.6 -37.9 44.8 -12.1 6.9 531 541 A A H <5S+ 0 0 4 -4,-2.1 4,-0.3 -5,-0.2 -2,-0.2 0.867 133.3 20.8 -81.1 -39.7 41.4 -13.4 5.7 532 542 A Y H X5S+ 0 0 2 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.731 107.4 78.1-101.6 -33.0 39.3 -13.0 8.8 533 543 A G H X S+ 0 0 51 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.880 118.9 41.3 -62.4 -39.3 40.2 -7.2 8.7 535 545 A T H >> S+ 0 0 5 -4,-0.3 4,-1.6 2,-0.2 3,-0.6 0.945 113.6 49.6 -73.1 -52.1 36.5 -8.2 8.8 536 546 A L H 3X S+ 0 0 23 -4,-2.8 4,-2.9 1,-0.3 5,-0.3 0.880 107.9 55.9 -52.5 -44.2 36.2 -9.4 12.5 537 547 A V H 3X S+ 0 0 107 -4,-2.5 4,-1.0 -5,-0.3 -1,-0.3 0.886 109.7 48.4 -52.6 -38.0 38.0 -6.2 13.5 538 548 A Q H << S+ 0 0 128 -4,-0.9 4,-0.4 -3,-0.6 -2,-0.2 0.768 113.5 43.4 -79.1 -29.3 35.1 -4.4 11.7 539 549 A L H >< S+ 0 0 2 -4,-1.6 3,-1.0 2,-0.2 -2,-0.2 0.884 110.4 54.8 -81.7 -40.4 32.3 -6.3 13.2 540 550 A F H >< S+ 0 0 76 -4,-2.9 3,-0.7 1,-0.3 -2,-0.2 0.780 103.9 56.6 -66.7 -25.5 33.6 -6.3 16.8 541 551 A 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