==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-MAY-11 3S3B . COMPND 2 MOLECULE: CYTOCHROME C OXIDASE SUBUNIT 1; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR V.M.LUNA,J.A.FEE,A.A.DENIZ,C.D.STOUT . 754 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26646.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 610 80.9 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 . 37 4.9 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 . 39 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 386 51.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.5 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 2 1 2 2 1 0 0 2 1 1 0 1 0 0 1 0 1 0 2 1 0 1 1 0 1 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 2 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 . 1 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 8 A I 0 0 226 0, 0.0 2,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -6.2 -5.6 -14.2 -30.6 2 9 A S >> - 0 0 10 1,-0.1 4,-1.6 2,-0.0 3,-1.3 -0.893 360.0-179.1-110.5 94.0 -4.3 -12.5 -27.3 3 10 A R H 3> S+ 0 0 213 -2,-0.4 4,-1.6 1,-0.3 3,-0.5 0.961 94.3 61.2 -46.0 -57.9 -4.5 -8.4 -27.4 4 11 A V H 3> S+ 0 0 8 1,-0.3 4,-0.7 2,-0.2 -1,-0.3 0.706 102.5 49.1 -33.4 -32.1 -3.0 -8.9 -23.9 5 12 A Y H <4 S+ 0 0 39 -3,-1.3 -2,-0.3 2,-0.1 -1,-0.3 0.903 107.4 56.1 -78.8 -35.1 -0.1 -10.6 -25.8 6 13 A E H < S+ 0 0 139 -4,-1.6 -2,-0.2 -3,-0.5 -3,-0.1 0.711 117.0 30.5 -71.3 -28.5 0.1 -7.6 -28.2 7 14 A A H < S+ 0 0 58 -4,-1.6 -1,-0.2 1,-0.2 3,-0.2 0.756 136.5 32.4 -88.1 -37.7 0.6 -4.8 -25.5 8 15 A Y < + 0 0 65 -4,-0.7 4,-0.4 -5,-0.4 -1,-0.2 -0.820 67.7 150.0-115.8 80.8 2.4 -7.3 -23.2 9 16 A P >> + 0 0 25 0, 0.0 4,-1.5 0, 0.0 3,-0.8 0.742 69.8 70.3 -76.3 -23.6 4.2 -9.7 -25.7 10 17 A E H 3> S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.735 88.6 66.7 -61.6 -22.8 6.9 -10.1 -23.0 11 18 A K H 3> S+ 0 0 2 -7,-0.2 4,-2.2 -6,-0.2 -1,-0.2 0.913 101.0 45.9 -59.7 -45.6 4.2 -12.0 -21.1 12 19 A K H <> S+ 0 0 85 -3,-0.8 4,-2.2 -4,-0.4 5,-0.2 0.961 111.6 48.8 -65.1 -53.6 4.2 -14.8 -23.7 13 20 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.928 111.1 53.6 -52.2 -46.8 7.9 -15.2 -23.9 14 21 A T H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.930 106.9 50.9 -52.1 -53.8 8.0 -15.3 -20.1 15 22 A L H X S+ 0 0 22 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.869 107.0 53.1 -54.3 -41.6 5.4 -18.1 -20.1 16 23 A Y H X S+ 0 0 101 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.919 109.1 50.1 -63.1 -39.0 7.4 -20.2 -22.6 17 24 A F H X S+ 0 0 2 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.963 113.9 45.0 -60.5 -50.7 10.4 -19.9 -20.3 18 25 A L H X S+ 0 0 6 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.859 113.6 47.4 -60.5 -44.8 8.4 -21.0 -17.3 19 26 A V H X S+ 0 0 48 -4,-2.6 4,-2.7 2,-0.2 3,-0.4 0.986 112.9 48.0 -65.9 -55.1 6.6 -23.9 -18.9 20 27 A L H X S+ 0 0 18 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.866 113.1 52.5 -50.2 -37.5 9.8 -25.3 -20.5 21 28 A G H X S+ 0 0 2 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.885 110.8 43.7 -66.7 -42.6 11.4 -24.8 -17.0 22 29 A F H X S+ 0 0 7 -4,-2.3 4,-2.3 -3,-0.4 -2,-0.2 0.835 109.5 56.0 -77.7 -32.7 8.7 -26.8 -15.1 23 30 A L H X S+ 0 0 73 -4,-2.7 4,-2.6 2,-0.2 3,-0.4 0.986 109.2 48.1 -56.5 -56.0 8.6 -29.5 -17.7 24 31 A A H X S+ 0 0 7 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.839 110.5 52.3 -50.5 -39.1 12.3 -30.0 -17.1 25 32 A L H X S+ 0 0 3 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.882 110.3 47.9 -66.5 -40.4 11.7 -30.0 -13.3 26 33 A I H X S+ 0 0 17 -4,-2.3 4,-1.1 -3,-0.4 -2,-0.2 0.975 114.3 45.1 -62.2 -54.9 9.1 -32.7 -13.7 27 34 A V H X S+ 0 0 68 -4,-2.6 4,-0.6 1,-0.2 3,-0.4 0.883 117.3 43.8 -59.5 -47.0 11.3 -34.9 -15.9 28 35 A G H >< S+ 0 0 0 -4,-2.4 3,-0.9 -5,-0.2 4,-0.3 0.916 110.3 56.3 -62.6 -43.9 14.4 -34.5 -13.8 29 36 A S H >< S+ 0 0 12 -4,-2.1 3,-0.9 1,-0.3 -1,-0.2 0.606 86.6 77.0 -72.0 -15.7 12.5 -35.0 -10.5 30 37 A L H 3X S+ 0 0 62 -4,-1.1 4,-0.7 -3,-0.4 -1,-0.3 0.949 93.8 53.2 -54.0 -46.8 11.1 -38.3 -11.5 31 38 A F H S+ 0 0 16 -3,-0.9 4,-1.7 -4,-0.3 3,-0.4 0.953 88.4 45.1 -54.7 -64.5 14.4 -38.2 -7.2 33 40 A P H > S+ 0 0 9 0, 0.0 4,-2.9 0, 0.0 3,-0.3 0.885 113.0 52.6 -51.8 -43.9 12.4 -40.7 -5.3 34 41 A F H X S+ 0 0 29 -4,-0.7 4,-2.9 1,-0.2 10,-0.3 0.894 109.4 49.5 -58.7 -41.2 14.4 -43.6 -6.8 35 42 A Q H X S+ 0 0 20 -4,-2.0 4,-0.9 -3,-0.4 -1,-0.2 0.768 110.9 50.2 -68.7 -27.8 17.6 -41.9 -5.7 36 43 A A H X S+ 0 0 7 -4,-1.7 4,-0.7 -3,-0.3 3,-0.2 0.906 110.2 48.5 -76.6 -43.6 16.2 -41.4 -2.2 37 44 A L H ><>S+ 0 0 31 -4,-2.9 5,-2.2 1,-0.2 3,-2.2 0.961 106.9 57.7 -57.8 -49.7 15.2 -45.0 -2.0 38 45 A N H ><5S+ 0 0 0 -4,-2.9 3,-1.0 1,-0.3 -1,-0.2 0.836 107.1 47.7 -47.3 -37.9 18.6 -45.9 -3.2 39 46 A Y H 3<5S+ 0 0 18 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.588 105.2 59.2 -84.8 -8.4 20.0 -44.0 -0.2 40 47 A G T <<5S- 0 0 8 -3,-2.2 -1,-0.2 -4,-0.7 -2,-0.2 0.308 124.0-107.8 -90.6 6.4 17.5 -45.8 2.0 41 48 A N T < 5S+ 0 0 57 -3,-1.0 2,-0.4 -4,-0.3 -3,-0.2 0.696 81.6 126.6 72.1 22.6 19.2 -49.1 0.8 42 49 A V < - 0 0 62 -5,-2.2 2,-0.7 -6,-0.1 -1,-0.3 -0.888 53.7-144.4-106.2 140.8 16.3 -50.0 -1.3 43 50 A D + 0 0 68 -2,-0.4 4,-0.2 404,-0.1 -9,-0.1 -0.767 33.3 155.9-106.5 91.9 16.8 -50.9 -5.0 44 51 A A >> + 0 0 18 -2,-0.7 4,-1.3 -10,-0.3 3,-0.9 0.505 43.6 102.7 -87.3 -4.4 13.8 -49.6 -7.0 45 52 A Y H 3> S+ 0 0 13 1,-0.3 4,-4.2 2,-0.2 5,-0.2 0.781 70.5 59.1 -59.5 -38.0 15.7 -49.3 -10.4 46 53 A P H 3> S+ 0 0 86 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.949 107.8 50.9 -54.1 -40.7 14.4 -52.4 -12.2 47 54 A L H <> S+ 0 0 70 -3,-0.9 4,-1.4 2,-0.2 -2,-0.2 0.879 113.3 43.9 -60.9 -43.3 10.9 -50.9 -11.7 48 55 A L H X S+ 0 0 4 -4,-1.3 4,-4.2 2,-0.2 3,-0.3 0.926 110.6 54.8 -63.3 -47.6 12.1 -47.6 -13.2 49 56 A K H < S+ 0 0 97 -4,-4.2 -2,-0.2 1,-0.3 -1,-0.2 0.839 108.1 50.6 -57.1 -35.3 13.9 -49.5 -15.9 50 57 A R H < S+ 0 0 185 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.819 118.0 37.7 -71.4 -35.4 10.5 -51.2 -16.7 51 58 A L H < S+ 0 0 98 -4,-1.4 -2,-0.2 -3,-0.3 -3,-0.2 0.946 129.3 31.6 -79.2 -53.3 8.7 -47.9 -16.9 52 59 A L S >< S+ 0 0 54 -4,-4.2 3,-1.9 1,-0.1 -1,-0.2 -0.752 71.1 179.5-110.5 83.0 11.5 -45.9 -18.5 53 60 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.710 75.4 66.1 -56.7 -29.2 13.3 -48.5 -20.8 54 61 A F T 3 S+ 0 0 69 2,-0.0 2,-0.5 0, 0.0 -5,-0.1 0.663 77.0 103.2 -69.0 -20.1 15.9 -46.0 -22.1 55 62 A V < + 0 0 4 -3,-1.9 3,-0.1 -7,-0.2 63,-0.1 -0.576 46.5 176.6 -68.2 114.6 17.3 -45.6 -18.6 56 63 A Q - 0 0 104 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.681 55.5 -5.9-100.0 -26.6 20.6 -47.7 -18.6 57 64 A S > - 0 0 23 1,-0.1 4,-1.9 -12,-0.0 3,-0.4 -0.990 68.3 -96.9-162.7 170.9 22.0 -47.1 -15.1 58 65 A Y H > S+ 0 0 4 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.867 121.4 52.9 -58.9 -37.4 21.7 -45.2 -11.8 59 66 A Y H > S+ 0 0 1 2,-0.2 4,-0.9 1,-0.2 66,-0.3 0.775 102.4 54.3 -76.8 -28.0 24.2 -42.8 -13.0 60 67 A Q H >> S+ 0 0 2 -3,-0.4 4,-2.3 2,-0.2 3,-0.6 0.933 110.5 50.4 -66.5 -43.8 22.4 -41.9 -16.3 61 68 A G H 3X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.3 -2,-0.2 0.882 109.3 49.3 -57.9 -43.6 19.4 -41.1 -14.1 62 69 A L H 3X S+ 0 0 28 -4,-1.9 4,-1.8 2,-0.2 64,-0.3 0.681 108.9 53.4 -70.1 -20.8 21.5 -38.9 -11.8 63 70 A T H S+ 0 0 12 -4,-1.8 4,-2.1 3,-0.2 5,-1.1 0.936 119.4 45.5 -60.7 -49.2 21.2 -32.9 -11.9 67 74 A V H <>S+ 0 0 15 -4,-2.5 5,-2.6 3,-0.2 4,-0.5 0.904 117.9 39.9 -65.7 -46.6 21.1 -31.4 -15.4 68 75 A L H <>S+ 0 0 18 -4,-2.5 5,-2.5 -5,-0.3 -1,-0.2 0.872 127.6 32.4 -73.7 -34.3 17.3 -31.0 -15.8 69 76 A N H <>S+ 0 0 21 -4,-2.0 5,-0.9 -5,-0.4 -3,-0.2 0.945 128.2 29.8 -88.8 -53.6 16.7 -29.8 -12.2 70 77 A A T <5S+ 0 0 14 -4,-2.1 -3,-0.2 -5,-0.5 -2,-0.1 0.805 133.6 26.3 -83.2 -31.6 19.8 -27.9 -11.2 71 78 A I T >X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.2 3,-0.5 0.906 121.0 36.3 -68.7 -42.9 11.8 -15.7 -16.8 81 88 A I H 3X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.895 114.1 52.0 -82.6 -40.7 11.8 -13.8 -13.5 82 89 A M H 3< S+ 0 0 2 -4,-3.7 -1,-0.2 -5,-0.2 -2,-0.1 0.143 120.1 35.6 -91.6 22.9 14.8 -11.6 -13.9 83 90 A V H <> S+ 0 0 2 -3,-0.5 4,-1.8 -5,-0.1 -2,-0.2 0.464 119.5 44.4-127.0 -49.8 13.6 -10.3 -17.2 84 91 A Y H X S+ 0 0 1 -4,-1.6 4,-2.9 -5,-0.3 5,-0.3 0.966 111.3 51.1 -63.4 -57.2 9.8 -10.1 -16.7 85 92 A L H X S+ 0 0 1 -4,-1.4 4,-2.4 -5,-0.3 5,-0.2 0.923 113.0 44.7 -50.4 -53.2 9.7 -8.6 -13.2 86 93 A P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 6,-0.2 0.933 113.6 52.4 -60.5 -39.2 12.1 -5.7 -14.1 87 94 A A H X>S+ 0 0 0 -4,-1.8 5,-1.7 1,-0.2 4,-0.8 0.940 111.4 44.6 -58.9 -48.8 10.1 -5.2 -17.3 88 95 A R H <5S+ 0 0 37 -4,-2.9 -1,-0.2 3,-0.2 -3,-0.2 0.841 112.6 53.2 -66.3 -31.4 6.8 -5.0 -15.5 89 96 A E H <5S+ 0 0 57 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.920 116.5 37.4 -66.6 -46.5 8.3 -2.7 -12.8 90 97 A L H <5S- 0 0 19 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.531 104.3-134.2 -76.4 -9.6 9.6 -0.2 -15.4 91 98 A N T <5 + 0 0 106 -4,-0.8 2,-0.2 1,-0.2 -3,-0.2 0.825 63.0 130.6 48.9 37.2 6.5 -0.8 -17.5 92 99 A M < - 0 0 36 -5,-1.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.687 60.3-115.9-109.7 167.3 8.8 -1.1 -20.5 93 100 A R - 0 0 105 -2,-0.2 2,-0.2 -3,-0.1 -85,-0.0 -0.915 25.4-127.6-105.0 134.1 9.0 -3.7 -23.2 94 101 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 5,-0.1 -0.543 46.0 -84.3 -73.2 138.1 12.1 -6.0 -23.5 95 102 A N > - 0 0 66 60,-0.3 4,-2.3 -2,-0.2 5,-0.1 -0.219 49.4-161.3 -44.6 100.1 13.7 -6.1 -27.0 96 103 A M H > S+ 0 0 35 -2,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.708 83.0 61.1 -68.7 -23.3 11.3 -8.9 -28.2 97 104 A G H > S+ 0 0 54 2,-0.2 4,-1.3 1,-0.1 -1,-0.2 0.993 113.0 37.6 -57.7 -58.8 13.5 -9.9 -31.1 98 105 A L H > S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.820 111.1 59.6 -64.5 -36.9 16.3 -10.8 -28.6 99 106 A M H X S+ 0 0 2 -4,-2.3 4,-1.5 1,-0.2 3,-0.3 0.969 109.7 42.6 -59.2 -51.4 13.9 -12.2 -26.0 100 107 A W H X S+ 0 0 65 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.735 110.8 56.4 -68.7 -23.0 12.6 -14.8 -28.4 101 108 A L H X S+ 0 0 82 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.863 105.8 51.5 -72.4 -35.5 16.1 -15.6 -29.7 102 109 A S H X S+ 0 0 1 -4,-2.3 4,-1.9 -3,-0.3 -2,-0.2 0.857 108.8 51.3 -66.8 -34.9 17.1 -16.3 -26.1 103 110 A W H X S+ 0 0 20 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.815 111.0 47.4 -71.4 -31.8 14.2 -18.7 -25.7 104 111 A W H X S+ 0 0 130 -4,-1.2 4,-3.8 2,-0.2 5,-0.4 0.945 108.6 53.7 -74.8 -46.1 15.1 -20.6 -28.9 105 112 A M H X S+ 0 0 43 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.924 112.9 44.8 -48.7 -49.4 18.8 -20.8 -27.9 106 113 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.874 116.9 45.7 -64.6 -39.2 17.7 -22.4 -24.7 107 114 A F H X S+ 0 0 70 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.919 117.0 41.7 -72.4 -45.8 15.2 -24.7 -26.4 108 115 A I H X S+ 0 0 88 -4,-3.8 4,-3.2 2,-0.2 5,-0.2 0.971 116.9 49.8 -63.9 -51.7 17.5 -25.8 -29.3 109 116 A G H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.4 -2,-0.2 0.862 110.5 50.5 -54.3 -42.5 20.4 -26.2 -26.8 110 117 A L H X S+ 0 0 29 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.962 113.6 43.8 -58.2 -54.3 18.3 -28.2 -24.5 111 118 A V H X S+ 0 0 60 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.888 111.9 53.1 -63.3 -43.1 17.1 -30.6 -27.3 112 119 A V H < S+ 0 0 45 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.899 116.5 39.5 -55.9 -41.8 20.6 -30.9 -28.7 113 120 A A H X S+ 0 0 11 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.758 108.1 63.5 -82.6 -24.6 22.0 -31.9 -25.3 114 121 A A H X S+ 0 0 26 -4,-2.3 4,-3.4 -5,-0.2 5,-0.3 0.916 94.4 62.5 -61.2 -44.0 18.9 -34.1 -24.4 115 122 A L H X S+ 0 0 112 -4,-1.7 4,-2.5 1,-0.2 6,-0.2 0.941 106.7 39.3 -52.7 -62.7 19.6 -36.5 -27.2 116 123 A P H 4>S+ 0 0 6 0, 0.0 5,-3.4 0, 0.0 6,-0.7 0.829 117.5 51.8 -60.5 -33.6 23.0 -37.8 -26.1 117 124 A L H ><5S+ 0 0 5 -4,-1.4 3,-1.5 4,-0.2 -2,-0.2 0.946 112.5 44.0 -64.5 -49.4 21.9 -37.8 -22.4 118 125 A L H 3<5S+ 0 0 75 -4,-3.4 -1,-0.2 1,-0.3 -3,-0.2 0.833 112.9 53.9 -65.0 -29.8 18.8 -39.8 -23.2 119 126 A A T 3<5S- 0 0 63 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.243 115.3-114.4 -91.5 15.8 20.9 -42.1 -25.4 120 127 A N T < 5S+ 0 0 20 -3,-1.5 3,-0.3 -5,-0.1 -3,-0.2 0.745 83.3 121.4 58.4 31.6 23.4 -42.8 -22.6 121 128 A E S S- 0 0 1 -2,-1.8 5,-0.6 1,-0.2 4,-0.4 0.190 74.8-118.8-121.8 9.1 29.1 -37.7 -16.8 125 132 A L T > 5 - 0 0 1 -3,-0.3 3,-1.6 -66,-0.3 -1,-0.2 0.159 42.7 -67.0 64.4 169.7 26.8 -36.0 -14.2 126 133 A Y T 3 5S+ 0 0 42 -64,-0.3 -1,-0.2 1,-0.3 -63,-0.1 0.611 135.5 55.4 -70.5 -9.7 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107.4 47.8 -56.6 -42.6 38.2 -9.2 -7.1 531 538 A V H X>S+ 0 0 8 -4,-1.3 4,-2.8 2,-0.2 5,-0.6 0.933 112.0 49.4 -64.1 -49.7 38.0 -12.1 -9.6 532 539 A V H X5S+ 0 0 100 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.939 115.0 44.8 -55.1 -47.9 41.3 -11.2 -11.2 533 540 A L H <5S+ 0 0 108 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.854 118.0 42.3 -66.0 -38.8 42.9 -11.0 -7.7 534 541 A A H <5S+ 0 0 4 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.802 132.5 20.7 -77.5 -33.4 41.4 -14.3 -6.4 535 542 A Y H X5S+ 0 0 1 -4,-2.8 4,-2.8 -5,-0.2 5,-0.3 0.698 105.6 78.8-108.8 -28.9 41.9 -16.4 -9.5 536 543 A G H X S+ 0 0 57 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.921 118.7 40.7 -44.8 -58.5 47.7 -15.8 -9.5 538 545 A T H >> S+ 0 0 7 -4,-0.3 4,-1.5 1,-0.2 3,-0.7 0.951 114.0 50.6 -59.8 -58.4 46.5 -19.5 -9.5 539 546 A L H 3X S+ 0 0 21 -4,-2.8 4,-2.6 1,-0.3 -1,-0.2 0.845 107.0 55.0 -48.7 -41.0 45.3 -19.6 -13.1 540 547 A V H 3X S+ 0 0 110 -4,-2.5 4,-1.1 -5,-0.3 -1,-0.3 0.911 110.9 46.5 -60.9 -39.6 48.6 -18.1 -14.4 541 548 A Q H << S+ 0 0 138 -4,-1.5 4,-0.2 -3,-0.7 -1,-0.2 0.683 112.8 48.2 -78.0 -22.9 50.4 -21.0 -12.6 542 549 A L H >< S+ 0 0 2 -4,-1.5 3,-0.9 2,-0.2 -2,-0.2 0.859 110.7 50.4 -82.8 -39.3 48.1 -23.7 -13.9 543 550 A F H >< S+ 0 0 84 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.747 104.4 59.9 -70.0 -23.0 48.3 -22.5 -17.4 544 551 A G T 3< S+ 0 0 55 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.682 115.9 32.6 -71.2 -18.3 52.1 -22.4 -17.2 545 552 A H T < S+ 0 0 112 -3,-0.9 -1,-0.2 -4,-0.2 -2,-0.1 -0.423 80.2 175.4-142.0 50.2 52.2 -26.1 -16.5 546 553 A L < - 0 0 73 -3,-0.7 -3,-0.1 1,-0.1 -4,-0.0 -0.359 8.5-174.8 -58.1 139.7 49.3 -27.7 -18.4 547 554 A N - 0 0 35 -5,-0.1 -335,-0.2 -2,-0.0 -332,-0.1 -0.506 7.7-169.8-138.1 70.6 49.1 -31.5 -18.2 548 555 A P - 0 0 70 0, 0.0 -335,-0.3 0, 0.0 -337,-0.1 -0.187 3.4-164.4 -58.6 153.0 46.3 -32.7 -20.4 549 556 A V E -B 212 0B 3 -337,-1.2 -337,-1.5 59,-0.1 -2,-0.0 -0.970 26.5 -92.3-138.5 153.3 45.3 -36.4 -20.1 550 557 A P E -B 211 0B 56 0, 0.0 -339,-0.2 0, 0.0 2,-0.1 -0.104 43.1-106.4 -65.6 161.6 43.2 -38.6 -22.5 551 558 A G - 0 0 27 -341,-0.7 2,-0.3 -347,-0.1 -419,-0.2 -0.431 30.2-159.2 -83.9 162.8 39.5 -39.0 -22.1 552 559 A W B -a 132 0A 89 -421,-2.3 -419,-2.3 -2,-0.1 2,-0.5 -0.995 14.3-154.2-141.6 143.4 37.6 -42.1 -20.8 553 560 A R + 0 0 110 -2,-0.3 -421,-0.1 -421,-0.2 -429,-0.0 -0.981 19.4 168.6-116.7 118.3 34.2 -43.6 -21.0 554 561 A L 0 0 32 -2,-0.5 155,-2.3 -431,-0.2 156,-0.2 -0.126 360.0 360.0-124.0 37.5 33.4 -45.8 -18.1 555 562 A W 0 0 38 153,-0.2 -1,-0.1 154,-0.1 -495,-0.1 0.374 360.0 360.0-140.1 360.0 29.7 -46.3 -18.5 556 !* 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 0.0 557 3 B D 0 0 134 0, 0.0 2,-2.6 0, 0.0 168,-0.0 0.000 360.0 360.0 360.0 135.5 4.3 3.5 13.7 558 4 B E > + 0 0 63 1,-0.2 4,-1.8 -53,-0.0 -53,-0.0 -0.311 360.0 49.1 68.5 -55.3 5.8 2.2 10.4 559 5 B H H > S+ 0 0 112 -2,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.807 113.1 47.9 -75.9 -32.0 8.3 5.1 10.3 560 6 B K H >> S+ 0 0 124 2,-0.2 4,-1.8 1,-0.1 3,-1.0 0.987 109.9 52.3 -60.9 -66.6 9.1 4.2 14.0 561 7 B A H 3> S+ 0 0 5 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.851 103.9 61.1 -33.8 -51.2 9.4 0.5 13.1 562 8 B H H 3X S+ 0 0 2 -4,-1.8 4,-2.6 1,-0.2 -1,-0.3 0.894 105.5 41.8 -50.8 -54.6 11.8 1.6 10.4 563 9 B K H X S+ 0 0 54 -4,-2.5 4,-1.7 -5,-0.2 3,-1.0 0.998 111.7 40.5 -61.5 -69.9 19.1 -0.1 14.3 568 14 B Y H 3X S+ 0 0 91 -4,-2.7 4,-3.3 1,-0.3 5,-0.2 0.821 110.1 65.1 -49.5 -34.5 18.9 -3.8 15.4 569 15 B E H 3X S+ 0 0 2 -4,-3.0 4,-2.3 -5,-0.3 -1,-0.3 0.908 101.5 44.9 -54.6 -54.2 20.1 -4.6 11.8 570 16 B K H X S+ 0 0 135 -4,-2.5 3,-2.0 1,-0.2 4,-1.0 0.975 104.0 47.5 -55.9 -58.3 44.1 -22.6 14.8 590 36 B T H 3< S+ 0 0 0 -4,-1.6 3,-0.5 1,-0.3 6,-0.5 0.821 105.8 60.4 -54.9 -34.0 43.7 -26.0 13.0 591 37 B L H 3< S+ 0 0 62 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.723 105.2 49.4 -65.6 -21.9 46.1 -24.8 10.3 592 38 B A H << S+ 0 0 86 -3,-2.0 -1,-0.2 -4,-0.8 -2,-0.2 0.669 103.3 73.8 -89.4 -19.4 48.8 -24.4 13.1 593 39 B T S >< S- 0 0 32 -4,-1.0 3,-0.7 -3,-0.5 -3,-0.0 -0.120 97.4 -97.5 -84.0-175.6 48.2 -27.9 14.6 594 40 B H G > S+ 0 0 129 1,-0.2 3,-1.9 2,-0.1 -1,-0.1 0.835 114.1 73.5 -64.4 -36.1 49.2 -31.4 13.4 595 41 B T G > S+ 0 0 6 1,-0.3 3,-0.9 2,-0.1 -1,-0.2 0.566 77.5 75.6 -61.1 -16.0 45.7 -31.9 12.0 596 42 B A G X + 0 0 18 -3,-0.7 3,-1.4 -6,-0.5 -1,-0.3 0.462 68.5 93.7 -75.2 -2.2 46.4 -29.6 9.1 597 43 B G G < S+ 0 0 24 -3,-1.9 93,-2.0 1,-0.3 -1,-0.2 0.808 72.2 66.4 -58.8 -32.6 48.5 -32.4 7.6 598 44 B V G < S+ 0 0 3 -3,-0.9 80,-0.3 91,-0.2 -1,-0.3 0.636 72.8 107.3 -68.5 -16.7 45.5 -33.6 5.5 599 45 B I S < S- 0 0 21 -3,-1.4 91,-0.2 -4,-0.1 3,-0.1 -0.542 83.2-111.5 -63.0 112.6 45.5 -30.3 3.5 600 46 B P - 0 0 1 0, 0.0 89,-0.2 0, 0.0 -1,-0.1 -0.023 37.9 -89.5 -44.4 148.7 46.8 -31.4 0.1 601 47 B A - 0 0 36 87,-1.5 -319,-1.4 1,-0.1 -318,-0.4 -0.373 30.3-147.5 -62.6 139.9 50.3 -30.2 -1.0 602 48 B G + 0 0 16 -320,-0.2 -318,-0.2 -321,-0.2 -1,-0.1 0.798 68.5 94.2 -83.4 -30.5 50.2 -26.9 -2.8 603 49 B K S S- 0 0 177 -320,-0.1 -321,-0.5 1,-0.1 2,-0.4 -0.348 82.2-113.7 -67.3 141.3 53.1 -27.5 -5.1 604 50 B L - 0 0 38 -322,-0.2 2,-0.4 -323,-0.1 -1,-0.1 -0.625 32.4-178.0 -74.0 129.9 52.3 -28.9 -8.6 605 51 B E - 0 0 67 -2,-0.4 81,-1.7 81,-0.2 2,-0.3 -0.861 12.5-162.0-133.4 95.0 53.7 -32.4 -9.1 606 52 B R B +E 685 0E 65 -2,-0.4 2,-0.3 79,-0.2 79,-0.2 -0.597 14.7 168.6 -83.4 135.7 53.0 -33.5 -12.6 607 53 B V - 0 0 29 77,-1.7 5,-0.1 -2,-0.3 -2,-0.0 -0.910 38.6-107.6-135.7 167.6 53.1 -37.1 -13.7 608 54 B D > - 0 0 71 -2,-0.3 3,-1.8 1,-0.1 4,-0.5 -0.860 19.7-156.7 -99.3 112.3 52.0 -39.0 -16.9 609 55 B P T 3 S+ 0 0 6 0, 0.0 4,-0.3 0, 0.0 3,-0.1 0.666 89.4 59.3 -62.1 -15.1 48.9 -41.1 -16.1 610 56 B T T 3 S+ 0 0 69 1,-0.2 -61,-0.0 2,-0.1 55,-0.0 0.378 114.8 32.4 -95.6 2.1 49.7 -43.5 -19.1 611 57 B T S X> S+ 0 0 33 -3,-1.8 4,-1.9 4,-0.1 3,-1.3 0.185 87.6 104.2-137.2 10.6 53.1 -44.6 -17.9 612 58 B V T 34 S+ 0 0 5 -4,-0.5 6,-0.5 1,-0.3 -2,-0.1 0.902 87.1 40.0 -66.2 -41.1 52.4 -44.4 -14.1 613 59 B R T 34 S+ 0 0 112 -4,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.016 116.4 50.0 -98.2 28.2 52.1 -48.2 -13.8 614 60 B Q T <4 S+ 0 0 144 -3,-1.3 2,-0.3 1,-0.4 -2,-0.2 0.549 120.8 14.4-129.4 -37.2 54.9 -49.1 -16.1 615 61 B E S < S+ 0 0 143 -4,-1.9 -1,-0.4 4,-0.0 3,-0.2 -0.985 102.0 34.7-143.9 132.2 57.8 -46.9 -14.8 616 62 B G S >> S- 0 0 44 -2,-0.3 3,-2.0 1,-0.1 4,-0.6 -0.584 100.3 -39.7 124.5-178.8 58.0 -45.0 -11.6 617 63 B P T 34 S+ 0 0 62 0, 0.0 19,-0.2 0, 0.0 -1,-0.1 0.528 133.2 48.0 -55.2 -17.1 57.1 -45.1 -7.8 618 64 B W T 34 S+ 0 0 12 -6,-0.5 -2,-0.1 -3,-0.2 6,-0.1 0.421 89.9 84.8-106.4 -2.9 53.7 -46.5 -8.7 619 65 B A T <4 S+ 0 0 31 -3,-2.0 -6,-0.1 1,-0.2 -1,-0.1 0.995 90.2 41.7 -64.6 -63.5 54.9 -49.3 -11.0 620 66 B D >< - 0 0 93 -4,-0.6 3,-2.0 1,-0.1 -1,-0.2 -0.742 66.7-160.2 -93.6 111.5 55.7 -52.0 -8.5 621 67 B P G > S+ 0 0 60 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.619 91.4 66.0 -64.2 -12.8 53.1 -52.3 -5.7 622 68 B A G 3 S+ 0 0 83 1,-0.2 -2,-0.0 2,-0.1 3,-0.0 0.461 101.0 50.4 -85.9 -8.1 55.7 -54.1 -3.6 623 69 B Q G < S+ 0 0 127 -3,-2.0 -1,-0.2 -6,-0.1 13,-0.1 0.178 81.1 106.1-108.3 11.2 57.7 -50.9 -3.5 624 70 B A S < S+ 0 0 4 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